{"Compound":"2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane (hpte)","CAS":"2971-36-0","CAS.Checksum":true,"DTXSID":"DTXSID8022325","Formula":"C14H11Cl3O2","All.Compound.Names":"2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane (hpte)|2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane|Dtxsid8022325|2971-36-0","logHenry":-7.179,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.622,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.528,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.707,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.4,"MP.Reference":"EPA-CCD-OPERA","MW":317.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"136.5","Human.Clint.pValue":0.00004,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"2971-36-0"}
{"Compound":"2,4-d","CAS":"94-75-7","CAS.Checksum":true,"DTXSID":"DTXSID0020442","Formula":"C8H6Cl2O3","All.Compound.Names":"2,4-d|Dichlorophenoxy|2,4-dichlorophenoxyacetic acid|94-75-7|Dtxsid0020442","logHenry":-8.529,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.809,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.84,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.165,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.6,"MP.Reference":"EPA-CCD-OPERA","MW":221,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"13.4,7.44,24.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.1488,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.04001","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":2.11,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"0","Rat.Clint.pValue":0.1365,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Foral":1,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.02976","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"94-75-7"}
{"Compound":"2,4-db","CAS":"94-82-6","CAS.Checksum":true,"DTXSID":"DTXSID7024035","Formula":"C10H10Cl2O3","All.Compound.Names":"2,4-db|2,4-dichlorophenoxybutyric acid|Dtxsid7024035|94-82-6","logHenry":-8.833,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.528,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.998,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.202,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.1,"MP.Reference":"EPA-CCD-OPERA","MW":249.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.1038,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.006623","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"94-82-6"}
{"Compound":"2-phenylphenol","CAS":"90-43-7","CAS.Checksum":true,"DTXSID":"DTXSID2021151","Formula":"C12H10O","All.Compound.Names":"2-phenylphenol|Dtxsid2021151|90-43-7","logHenry":-7.143,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.46,"logMA.Reference":"Endo 2011","logP":3.091,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.108,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.812,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.03,"MP.Reference":"EPA-CCD-OPERA","MW":170.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.077","Human.Clint.pValue":0.1635,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.04105","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"90-43-7"}
{"Compound":"6-desisopropylatrazine","CAS":"1007-28-9","CAS.Checksum":true,"DTXSID":"DTXSID0037495","Formula":"C5H8ClN5","All.Compound.Names":"6-desisopropylatrazine|Deisopropylatrazine|Dtxsid0037495|1007-28-9","logHenry":-8.003,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.15,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.989,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.413,"logWSol.Reference":"EPA-CCD-OPERA","MP":155,"MP.Reference":"EPA-CCD-OPERA","MW":173.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"52.4,29.2,94.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.5387,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.4588","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"1007-28-9"}
{"Compound":"Abamectin","CAS":"71751-41-2","CAS.Checksum":true,"DTXSID":"DTXSID8023892","All.Compound.Names":"Abamectin|71751-41-2","logP":4.48,"logP.Reference":"Tonnelier 2012","MW":819,"MW.Reference":"Tonnelier 2012","pKa_Donor":"12.47,13.17,13.80","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Human.Clint":"5.24","Human.Clint.pValue":0.00092,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.06687","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"71751-41-2"}
{"Compound":"Acephate","CAS":"30560-19-1","CAS.Checksum":true,"DTXSID":"DTXSID8023846","Formula":"C4H10NO3PS","All.Compound.Names":"Acephate|Dtxsid8023846|30560-19-1","logHenry":-8.306,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8482,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.57,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6421,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.98,"MP.Reference":"EPA-CCD-OPERA","MW":183.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"5.55,3.08,9.97","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.00014,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.8684","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"30560-19-1"}
{"Compound":"Acetamiprid","CAS":"135410-20-7","CAS.Checksum":true,"DTXSID":"DTXSID0034300","Formula":"C10H11ClN4","All.Compound.Names":"Acetamiprid|Dtxsid0034300|135410-20-7","logHenry":-8.469,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.834,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.042,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.771,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.92,"MP.Reference":"EPA-CCD-OPERA","MW":222.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"42.4,23.6,76.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.9983,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.5732","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"135410-20-7"}
{"Compound":"Acetochlor","CAS":"34256-82-1","CAS.Checksum":true,"DTXSID":"DTXSID8023848","Formula":"C14H20ClNO2","All.Compound.Names":"Acetochlor|34256-82-1|Dtxsid8023848","logHenry":-8.002,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.032,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.689,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.049,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.07,"MP.Reference":"EPA-CCD-OPERA","MW":269.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"38.2,21.2,68.7","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"84.71","Human.Clint.pValue":0.01893,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1598","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.8691,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"59.28","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.1923","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"34256-82-1"}
{"Compound":"Acifluorfen","CAS":"50594-66-6","CAS.Checksum":true,"DTXSID":"DTXSID0020022","Formula":"C14H7ClF3NO5","All.Compound.Names":"Acifluorfen|50594-66-6|Dtxsid0020022","logHenry":-7.967,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.701,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.932,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.084,"logWSol.Reference":"EPA-CCD-OPERA","MP":150,"MP.Reference":"EPA-CCD-OPERA","MW":361.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.92,1.07,3.45","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,1","Human.Clint.pValue":1,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0111,0.00655,0.0234","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":0.6436,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"0","Rat.Clint.pValue":0.2084,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.004729","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"50594-66-6"}
{"Compound":"Alachlor","CAS":"15972-60-8","CAS.Checksum":true,"DTXSID":"DTXSID1022265","Formula":"C14H20ClNO2","All.Compound.Names":"Alachlor|15972-60-8|Dtxsid1022265","logHenry":-8.079,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.518,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.203,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.117,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.52,"MP.Reference":"EPA-CCD-OPERA","MW":269.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"62.9","Human.Clint.pValue":0.00039,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1332","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.8531,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"41.66","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Foral":0.0308,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.5973","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"15972-60-8"}
{"Compound":"Aldicarb","CAS":"116-06-3","CAS.Checksum":true,"DTXSID":"DTXSID0039223","Formula":"C7H14N2O2S","All.Compound.Names":"Aldicarb|Dtxsid0039223|116-06-3","logHenry":-7.628,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.129,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.37,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.519,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.44,"MP.Reference":"EPA-CCD-OPERA","MW":190.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.7456","Human.Clint.pValue":0.3291,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.4809","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"116-06-3"}
{"Compound":"Ametryn","CAS":"834-12-8","CAS.Checksum":true,"DTXSID":"DTXSID1023869","Formula":"C9H17N5S","All.Compound.Names":"Ametryn|834-12-8|Dtxsid1023869","logHenry":-7.631,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.979,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.089,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.045,"logWSol.Reference":"EPA-CCD-OPERA","MP":88.05,"MP.Reference":"EPA-CCD-OPERA","MW":227.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"39,21.7,70","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"31.51","Human.Clint.pValue":5.97e-11,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.003952","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.6436,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"42.06","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.1823","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"834-12-8"}
{"Compound":"Amitraz","CAS":"33089-61-1","CAS.Checksum":true,"DTXSID":"DTXSID5023871","Formula":"C19H23N3","All.Compound.Names":"Amitraz|Dtxsid5023871|33089-61-1","logHenry":-5.008,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.495,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.476,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.717,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.04,"MP.Reference":"EPA-CCD-OPERA","MW":293.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"33.3,28.6,37.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"3.02e-08,1.85e-13,0.00627","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"33089-61-1"}
{"Compound":"Anilazine","CAS":"101-05-3","CAS.Checksum":true,"DTXSID":"DTXSID9020089","Formula":"C9H5Cl3N4","All.Compound.Names":"Anilazine|Dtxsid9020089|101-05-3","logHenry":-6.41,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.878,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.102,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.539,"logWSol.Reference":"EPA-CCD-OPERA","MP":160,"MP.Reference":"EPA-CCD-OPERA","MW":275.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.65","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.49","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"22.5","Human.Clint.pValue":2.95e-07,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"101-05-3"}
{"Compound":"Atrazine","CAS":"1912-24-9","CAS.Checksum":true,"DTXSID":"DTXSID9020112","Formula":"C8H14ClN5","All.Compound.Names":"Atrazine|Dtxsid9020112|1912-24-9","logHenry":-7.907,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.611,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.773,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.702,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.1,"MP.Reference":"EPA-CCD-OPERA","MW":215.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"52.3,29.1,94.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"6.209","Human.Clint.pValue":0.05366,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1237","Human.Funbound.plasma.Reference":"Wetmore 2012","Rat.Clint":"14.1","Rat.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"1912-24-9"}
{"Compound":"Azinphos-methyl","CAS":"86-50-0","CAS.Checksum":true,"DTXSID":"DTXSID3020122","Formula":"C10H12N3O3PS2","All.Compound.Names":"Azinphos-methyl|Dtxsid3020122|86-50-0","logHenry":-7.002,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.749,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.081,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.137,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.96,"MP.Reference":"EPA-CCD-OPERA","MW":317.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"32.63","Human.Clint.pValue":0.01134,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.2137","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"86-50-0"}
{"Compound":"Azoxystrobin","CAS":"131860-33-8","CAS.Checksum":true,"DTXSID":"DTXSID0032520","Formula":"C22H17N3O5","All.Compound.Names":"Azoxystrobin|Dtxsid0032520|131860-33-8","logHenry":-8.471,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.503,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.184,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.805,"logWSol.Reference":"EPA-CCD-OPERA","MP":116,"MP.Reference":"EPA-CCD-OPERA","MW":403.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"48.2,26.8,86.7","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"32.39","Human.Clint.pValue":5e-15,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.04763","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"131860-33-8"}
{"Compound":"Bendiocarb","CAS":"22781-23-3","CAS.Checksum":true,"DTXSID":"DTXSID9032327","Formula":"C11H13NO4","All.Compound.Names":"Bendiocarb|Dtxsid9032327|22781-23-3","logHenry":-8.178,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.702,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.304,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.913,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.9,"MP.Reference":"EPA-CCD-OPERA","MW":223.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"37.5,20.9,67.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"21.66","Human.Clint.pValue":3.36e-11,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1971","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"22781-23-3"}
{"Compound":"Benfluralin","CAS":"1861-40-1","CAS.Checksum":true,"DTXSID":"DTXSID3023899","Formula":"C13H16F3N3O4","All.Compound.Names":"Benfluralin|Dtxsid3023899|1861-40-1","logHenry":-4.371,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.29,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.124,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.319,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.15,"MP.Reference":"EPA-CCD-OPERA","MW":335.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"17.34","Human.Clint.pValue":6.76e-06,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"1861-40-1"}
{"Compound":"Benomyl","CAS":"17804-35-2","CAS.Checksum":true,"DTXSID":"DTXSID5023900","Formula":"C14H18N4O3","All.Compound.Names":"Benomyl|Dtxsid5023900|17804-35-2","logHenry":-11.31,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.119,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.044,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.972,"logWSol.Reference":"EPA-CCD-OPERA","MP":193,"MP.Reference":"EPA-CCD-OPERA","MW":290.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.23","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"9.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"26,13.1,35,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"1.77e-06,2.07e-13,0.943","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"17804-35-2"}
{"Compound":"Bensulfuron-methyl","CAS":"83055-99-6","CAS.Checksum":true,"DTXSID":"DTXSID7024164","Formula":"C16H18N4O7S","All.Compound.Names":"Bensulfuron-methyl|Dtxsid7024164|83055-99-6","logHenry":-11.05,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.289,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.293,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.615,"logWSol.Reference":"EPA-CCD-OPERA","MP":187,"MP.Reference":"EPA-CCD-OPERA","MW":410.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"55.1,30.6,99","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"1.65,1.02,2.37,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00905,0.00631,0.0183","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"83055-99-6"}
{"Compound":"Bensulide","CAS":"741-58-2","CAS.Checksum":true,"DTXSID":"DTXSID9032329","Formula":"C14H24NO4PS3","All.Compound.Names":"Bensulide|741-58-2|Dtxsid9032329","logHenry":-5.805,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.209,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.232,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.2,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.41,"MP.Reference":"EPA-CCD-OPERA","MW":397.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"250.3","Human.Clint.pValue":0.00089,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.006078","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.6503,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"37.52","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.008183","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"741-58-2"}
{"Compound":"Bentazone","CAS":"25057-89-0","CAS.Checksum":true,"DTXSID":"DTXSID0023901","Formula":"C10H12N2O3S","All.Compound.Names":"Bentazone|25057-89-0|Dtxsid0023901","logHenry":-9.588,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.337,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.477,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.666,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.1,"MP.Reference":"EPA-CCD-OPERA","MW":240.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.02","pKa_Accept.Reference":"TNO","pKa_Donor":"7.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.01215,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.02147","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.7079,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"0","Rat.Clint.pValue":0.0575,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.09856","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"25057-89-0"}
{"Compound":"Bifenazate","CAS":"149877-41-8","CAS.Checksum":true,"DTXSID":"DTXSID5032525","Formula":"C17H20N2O3","All.Compound.Names":"Bifenazate|Dtxsid5032525|149877-41-8","logHenry":-9.147,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.165,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.03,"logWSol.Reference":"EPA-CCD-OPERA","MP":122,"MP.Reference":"EPA-CCD-OPERA","MW":300.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"30.6,17,55.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"41.15","Human.Clint.pValue":6.54e-10,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.836","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"149877-41-8"}
{"Compound":"Bifenthrin","CAS":"82657-04-3","CAS.Checksum":true,"DTXSID":"DTXSID9020160","Formula":"C23H22ClF3O2","All.Compound.Names":"Bifenthrin|Dtxsid9020160","logHenry":-7.314,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.186,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.283,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.296,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.99,"MP.Reference":"EPA-CCD-OPERA","MW":422.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.9994,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"82657-04-3"}
{"Compound":"Bisphenol-a","CAS":"80-05-7","CAS.Checksum":true,"DTXSID":"DTXSID7020182","Formula":"C15H16O2","All.Compound.Names":"Bisphenol-a|Bisphenol a|Bisphenola|80-05-7|Dtxsid7020182","logHenry":-6.903,"logHenry.Reference":"EPA-CCD-OPERA","logMA":4.46,"logMA.Reference":"Endo 2011","logP":3.32,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.06,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.128,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.7,"MP.Reference":"EPA-CCD-OPERA","MW":228.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"19.9,10.2,29.8,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0385,0.0334,0.0456","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":0.7949,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"2.326","Rat.Clint.pValue":0.0835,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.7181","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"80-05-7"}
{"Compound":"Boscalid","CAS":"188425-85-6","CAS.Checksum":true,"DTXSID":"DTXSID6034392","Formula":"C18H12Cl2N2O","All.Compound.Names":"Boscalid|188425-85-6|Dtxsid6034392","logHenry":-8.573,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.961,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.384,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.976,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.6,"MP.Reference":"EPA-CCD-OPERA","MW":343.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.03","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.7","pKa_Donor.Reference":"TNO","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"38.1,21.2,68.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"17.28","Human.Clint.pValue":3.48e-11,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.03201","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.7377,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"12.04","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Foral":0.2513,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.04664","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"188425-85-6"}
{"Compound":"Bromacil","CAS":"314-40-9","CAS.Checksum":true,"DTXSID":"DTXSID4022020","Formula":"C9H13BrN2O2","All.Compound.Names":"Bromacil|Dtxsid4022020|314-40-9","logHenry":-5.872,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.109,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.302,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.511,"logWSol.Reference":"EPA-CCD-OPERA","MP":158,"MP.Reference":"EPA-CCD-OPERA","MW":261.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.12","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.32","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"47.4,26.4,85.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.1992,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.0852","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"314-40-9"}
{"Compound":"Bromoxynil","CAS":"1689-84-5","CAS.Checksum":true,"DTXSID":"DTXSID3022162","Formula":"C7H3Br2NO","All.Compound.Names":"Bromoxynil|3,5-dibromo-4-hydroxybenzonitrile|Dtxsid3022162|1689-84-5","logHenry":-6.635,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.16,"logMA.Reference":"Endo 2011","logP":2.625,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.86,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.366,"logWSol.Reference":"EPA-CCD-OPERA","MP":190,"MP.Reference":"EPA-CCD-OPERA","MW":276.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7.866","Human.Clint.pValue":8.29e-06,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.5001","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"1689-84-5"}
{"Compound":"Buprofezin","CAS":"69327-76-0","CAS.Checksum":true,"DTXSID":"DTXSID8034401","Formula":"C16H23N3OS","All.Compound.Names":"Buprofezin|Dtxsid8034401|69327-76-0","logHenry":-6.894,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.299,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.332,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.675,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.9,"MP.Reference":"EPA-CCD-OPERA","MW":305.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"18.47","Human.Clint.pValue":0.00505,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.0003605","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"69327-76-0"}
{"Compound":"Butachlor","CAS":"23184-66-9","CAS.Checksum":true,"DTXSID":"DTXSID3034402","Formula":"C17H26ClNO2","All.Compound.Names":"Butachlor|Dtxsid3034402|23184-66-9","logHenry":-7.311,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.497,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.337,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.171,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.73,"MP.Reference":"EPA-CCD-OPERA","MW":311.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"100.8","Human.Clint.pValue":0.00218,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"23184-66-9"}
{"Compound":"Butralin","CAS":"33629-47-9","CAS.Checksum":true,"DTXSID":"DTXSID3032337","Formula":"C14H21N3O4","All.Compound.Names":"Butralin|Dtxsid3032337|33629-47-9","logHenry":-6.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.929,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.381,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.641,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.06,"MP.Reference":"EPA-CCD-OPERA","MW":295.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"31.35","Human.Clint.pValue":0.00002,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"33629-47-9"}
{"Compound":"Butylate","CAS":"2008-41-5","CAS.Checksum":true,"DTXSID":"DTXSID7023936","Formula":"C11H23NOS","All.Compound.Names":"Butylate|Dtxsid7023936|2008-41-5","logHenry":-4.888,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.149,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.289,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.68,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.746,"MP.Reference":"EPA-CCD-OPERA","MW":217.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"52.51","Human.Clint.pValue":0.0004,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"2008-41-5"}
{"Compound":"Cacodylic acid","CAS":"75-60-5","CAS.Checksum":true,"DTXSID":"DTXSID7020508","Formula":"C2H7AsO2","All.Compound.Names":"Cacodylic acid|Dimethylarsinic acid|75-60-5","MW":138,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.22","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.1976","Human.Clint.pValue":0.8823,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.9058","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"75-60-5"}
{"Compound":"Carbaryl","CAS":"63-25-2","CAS.Checksum":true,"DTXSID":"DTXSID9020247","Formula":"C12H11NO2","All.Compound.Names":"Carbaryl|63-25-2|1-naphthalenol, 1-(n-methylcarbamate)|Dtxsid9020247","logHenry":-7.859,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.358,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.77,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.505,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.9,"MP.Reference":"EPA-CCD-OPERA","MW":201.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"52.5,29.2,94.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"27.27","Human.Clint.pValue":1.67e-08,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.6922","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.8518,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"14.97","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Foral":0.3082,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.3753","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"63-25-2"}
{"Compound":"Carboxin","CAS":"5234-68-4","CAS.Checksum":true,"DTXSID":"DTXSID0023951","Formula":"C12H13NO2S","All.Compound.Names":"Carboxin|Dtxsid0023951|5234-68-4","logHenry":-7.514,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.14,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.499,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.156,"logWSol.Reference":"EPA-CCD-OPERA","MP":91.59,"MP.Reference":"EPA-CCD-OPERA","MW":235.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"47.3,26.3,85","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"24.41","Human.Clint.pValue":0.00115,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.175","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"5234-68-4"}
{"Compound":"Chlorethoxyfos","CAS":"54593-83-8","CAS.Checksum":true,"DTXSID":"DTXSID2032344","Formula":"C6H11Cl4O3PS","All.Compound.Names":"Chlorethoxyfos|Dtxsid2032344","logHenry":-5.08,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.588,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.365,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.022,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.16,"MP.Reference":"EPA-CCD-OPERA","MW":336,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"617,138,1300,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00394,0.0014,0.0121","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"54593-83-8"}
{"Compound":"Chloridazon","CAS":"1698-60-8","CAS.Checksum":true,"DTXSID":"DTXSID3034872","Formula":"C10H8ClN3O","All.Compound.Names":"Chloridazon|1698-60-8|Dtxsid3034872","logHenry":-9.192,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.172,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.327,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.799,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.1,"MP.Reference":"EPA-CCD-OPERA","MW":221.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.871","Human.Clint.pValue":0.1044,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.4273","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.9176,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"0","Rat.Clint.pValue":0.0292,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Foral":0.9998,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.4889","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"1698-60-8"}
{"Compound":"Chloroneb","CAS":"2675-77-6","CAS.Checksum":true,"DTXSID":"DTXSID2024793","Formula":"C8H8Cl2O2","All.Compound.Names":"Chloroneb|Dtxsid2024793","logHenry":-4.043,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.16,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.568,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.406,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.8,"MP.Reference":"EPA-CCD-OPERA","MW":207,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6.309","Human.Clint.pValue":0.00098,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.5774","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"2675-77-6"}
{"Compound":"Chlorpropham","CAS":"101-21-3","CAS.Checksum":true,"DTXSID":"DTXSID7020764","Formula":"C10H12ClNO2","All.Compound.Names":"Chlorpropham|101-21-3|Dtxsid7020764","logHenry":-8.357,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.507,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.517,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.36,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.07,"MP.Reference":"EPA-CCD-OPERA","MW":213.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"78.1,7.7,1080,0.00396","Human.Clint.pValue":0.00396,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0833,0.0514,0.313","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":0.6436,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"24.78","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.03279","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"101-21-3"}
{"Compound":"Chlorpyrifos-methyl","CAS":"5598-13-0","CAS.Checksum":true,"DTXSID":"DTXSID6032352","Formula":"C7H7Cl3NO3PS","All.Compound.Names":"Chlorpyrifos-methyl|Dtxsid6032352|5598-13-0","logHenry":-6.228,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.31,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.264,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.889,"logWSol.Reference":"EPA-CCD-OPERA","MP":43,"MP.Reference":"EPA-CCD-OPERA","MW":322.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"24.1,15.9,47,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"5598-13-0"}
{"Compound":"Cinmethylin","CAS":"87818-31-3","CAS.Checksum":true,"DTXSID":"DTXSID3034456","Formula":"C18H26O2","All.Compound.Names":"Cinmethylin|Dtxsid3034456","logHenry":-5.085,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.62,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.152,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.644,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.15,"MP.Reference":"EPA-CCD-OPERA","MW":274.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"28.17","Human.Clint.pValue":0.00001,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"87818-31-3"}
{"Compound":"Clofentezine","CAS":"74115-24-5","CAS.Checksum":true,"DTXSID":"DTXSID9023881","Formula":"C14H8Cl2N4","All.Compound.Names":"Clofentezine|Dtxsid9023881|74115-24-5","logHenry":-5.929,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.1,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.802,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.375,"logWSol.Reference":"EPA-CCD-OPERA","MP":182,"MP.Reference":"EPA-CCD-OPERA","MW":303.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.9992,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"74115-24-5"}
{"Compound":"Clomazone","CAS":"81777-89-1","CAS.Checksum":true,"DTXSID":"DTXSID1032355","Formula":"C12H14ClNO2","All.Compound.Names":"Clomazone|Dtxsid1032355|81777-89-1","logHenry":-7.481,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.498,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.882,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.339,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.25,"MP.Reference":"EPA-CCD-OPERA","MW":239.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"44.4,24.7,79.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"3.038","Human.Clint.pValue":5.3e-06,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1734","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"81777-89-1"}
{"Compound":"Cloprop","CAS":"101-10-0","CAS.Checksum":true,"DTXSID":"DTXSID9034232","Formula":"C9H9ClO3","All.Compound.Names":"Cloprop|2-(m-chlorophenoxy)propionic acid|Dtxsid9034232|101-10-0","logHenry":-8.147,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.542,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.887,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.219,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.3,"MP.Reference":"EPA-CCD-OPERA","MW":200.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.544,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.02239","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"101-10-0"}
{"Compound":"Clorophene","CAS":"120-32-1","CAS.Checksum":true,"DTXSID":"DTXSID5020154","Formula":"C13H11ClO","All.Compound.Names":"Clorophene|Dtxsid5020154|120-32-1","logHenry":-7.407,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.599,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.728,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.17,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.54,"MP.Reference":"EPA-CCD-OPERA","MW":218.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.53,0.812,14.5,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"3.25e-06,2.45e-13,0.977","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"120-32-1"}
{"Compound":"Clothianidin","CAS":"210880-92-5","CAS.Checksum":true,"DTXSID":"DTXSID2034465","Formula":"C6H8ClN5O2S","All.Compound.Names":"Clothianidin|Dtxsid2034465|210880-92-5","logHenry":-8.727,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7017,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.366,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.87,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.5,"MP.Reference":"EPA-CCD-OPERA","MW":249.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"14.7,8.19,26.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"10.73","Human.Clint.pValue":0.01017,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.5059","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"210880-92-5"}
{"Compound":"Coumaphos","CAS":"56-72-4","CAS.Checksum":true,"DTXSID":"DTXSID2020347","Formula":"C14H16ClO5PS","All.Compound.Names":"Coumaphos|Dtxsid2020347","logHenry":-8.24,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.128,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.593,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.382,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.96,"MP.Reference":"EPA-CCD-OPERA","MW":362.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"31.7,12.1,47.7,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"2.9e-07,1.98e-13,0.873","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"56-72-4"}
{"Compound":"Cyanazine","CAS":"21725-46-2","CAS.Checksum":true,"DTXSID":"DTXSID1023990","Formula":"C9H13ClN6","All.Compound.Names":"Cyanazine|Dtxsid1023990|21725-46-2","logHenry":-8.337,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.221,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.875,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.147,"logWSol.Reference":"EPA-CCD-OPERA","MP":168,"MP.Reference":"EPA-CCD-OPERA","MW":240.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.49","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.44","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"41.8,23.3,75.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"3.158","Human.Clint.pValue":0.05328,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.3155","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"21725-46-2"}
{"Compound":"Cyclanilide","CAS":"113136-77-9","CAS.Checksum":true,"DTXSID":"DTXSID5032600","Formula":"C11H9Cl2NO3","All.Compound.Names":"Cyclanilide|113136-77-9|Dtxsid5032600","logHenry":-9.697,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.683,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.444,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.756,"logWSol.Reference":"EPA-CCD-OPERA","MP":119.4,"MP.Reference":"EPA-CCD-OPERA","MW":274.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"22,12.3,39.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0.3364","Human.Clint.pValue":0.522,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.984","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.6059,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"0","Rat.Clint.pValue":0.0676,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Foral":0.3091,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"113136-77-9"}
{"Compound":"Cycloate","CAS":"1134-23-2","CAS.Checksum":true,"DTXSID":"DTXSID6032356","Formula":"C11H21NOS","All.Compound.Names":"Cycloate|Ethyl n-cyclohexyl-n-ethylthiolcarbamate|Dtxsid6032356|1134-23-2","logHenry":-6.768,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.924,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.609,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.414,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.71,"MP.Reference":"EPA-CCD-OPERA","MW":215.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"41.9,23.3,75.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"34.48","Human.Clint.pValue":0.00004,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"1134-23-2"}
{"Compound":"Cyproconazole","CAS":"94361-06-5","CAS.Checksum":true,"DTXSID":"DTXSID0032601","Formula":"C15H18ClN3O","All.Compound.Names":"Cyproconazole|94361-06-5|Dtxsid0032601","logHenry":-9.262,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.902,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.756,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.367,"logWSol.Reference":"EPA-CCD-OPERA","MP":107.5,"MP.Reference":"EPA-CCD-OPERA","MW":291.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.26","pKa_Accept.Reference":"TNO","pKa_Donor":"9.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.538","Human.Clint.pValue":0.02287,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1086","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.8356,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"2.312","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.1195","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"94361-06-5"}
{"Compound":"Cyprodinil","CAS":"121552-61-2","CAS.Checksum":true,"DTXSID":"DTXSID1032359","Formula":"C14H15N3","All.Compound.Names":"Cyprodinil|121552-61-2|Dtxsid1032359","logHenry":-7.597,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.998,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.321,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.239,"logWSol.Reference":"EPA-CCD-OPERA","MP":76,"MP.Reference":"EPA-CCD-OPERA","MW":225.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.34","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.63","pKa_Donor.Reference":"TNO","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"31.8,17.7,57.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"37.77","Human.Clint.pValue":0.00048,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.002141","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.6436,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"8.81","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"121552-61-2"}
{"Compound":"Cyromazine","CAS":"66215-27-8","CAS.Checksum":true,"DTXSID":"DTXSID6023999","Formula":"C6H10N6","All.Compound.Names":"Cyromazine|Dtxsid6023999|66215-27-8","logHenry":-8.027,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8033,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.73,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.111,"logWSol.Reference":"EPA-CCD-OPERA","MP":224.9,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"22,12.2,39.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.4778,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.9352","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"66215-27-8"}
{"Compound":"D-cis,trans-allethrin","CAS":"584-79-2","CAS.Checksum":true,"DTXSID":"DTXSID8035180","Formula":"C19H26O3","All.Compound.Names":"D-cis,trans-allethrin|Allethrin|Dtxsid8035180","logHenry":-5.046,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.78,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.381,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.981,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.79,"MP.Reference":"EPA-CCD-OPERA","MW":302.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.588","Human.Clint.pValue":0.2037,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.2902","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"584-79-2"}
{"Compound":"Dazomet","CAS":"533-74-4","CAS.Checksum":true,"DTXSID":"DTXSID7024902","Formula":"C5H10N2S2","All.Compound.Names":"Dazomet|Dtxsid7024902|533-74-4","logHenry":-9.572,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6304,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.45,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.811,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.1,"MP.Reference":"EPA-CCD-OPERA","MW":162.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"12.42","Human.Clint.pValue":0.03019,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.8914","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"533-74-4"}
{"Compound":"Diazinon","CAS":"333-41-5","CAS.Checksum":true,"DTXSID":"DTXSID9020407","Formula":"C12H21N2O3PS","All.Compound.Names":"Diazinon|Dtxsid9020407|333-41-5","logHenry":-6.946,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.809,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.023,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.809,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.97,"MP.Reference":"EPA-CCD-OPERA","MW":304.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"30.5,13.7,39,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0388,0.0317,0.0478","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"333-41-5"}
{"Compound":"Diazoxon","CAS":"962-58-3","CAS.Checksum":true,"DTXSID":"DTXSID5037523","Formula":"C12H21N2O4P","All.Compound.Names":"Diazoxon|962-58-3|Dtxsid5037523","logHenry":-6.566,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.072,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.346,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.026,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.62,"MP.Reference":"EPA-CCD-OPERA","MW":288.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"34.62","Human.Clint.pValue":0.00508,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.3269","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.9163,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"59.02","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Foral":0.7013,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.3279","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"962-58-3"}
{"Compound":"Dicamba","CAS":"1918-00-9","CAS.Checksum":true,"DTXSID":"DTXSID4024018","Formula":"C8H6Cl2O3","All.Compound.Names":"Dicamba|Dtxsid4024018|1918-00-9","logHenry":-8.604,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.212,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.464,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.165,"logWSol.Reference":"EPA-CCD-OPERA","MP":115.1,"MP.Reference":"EPA-CCD-OPERA","MW":221,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.6483","Human.Clint.pValue":0.1872,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1802","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"1918-00-9"}
{"Compound":"Dichlobenil","CAS":"1194-65-6","CAS.Checksum":true,"DTXSID":"DTXSID5032365","Formula":"C7H3Cl2N","All.Compound.Names":"Dichlobenil|1194-65-6|2,6-dichlorobenzonitrile|Dtxsid5032365","logHenry":-4.932,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.741,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.131,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.944,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.2,"MP.Reference":"EPA-CCD-OPERA","MW":172,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7.036","Human.Clint.pValue":0.1662,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.06222","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.7873,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"9.822","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.08402","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"1194-65-6"}
{"Compound":"Dichloran","CAS":"99-30-9","CAS.Checksum":true,"DTXSID":"DTXSID2020426","Formula":"C6H4Cl2N2O2","All.Compound.Names":"Dichloran|Dicloran|1-amino-2,6-dichloro-4-nitrobenzene|Dtxsid2020426|99-30-9","logHenry":-8.512,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.799,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.663,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.479,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.8,"MP.Reference":"EPA-CCD-OPERA","MW":207,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-1.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.434","Human.Clint.pValue":0.1506,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"99-30-9"}
{"Compound":"Dichlorprop","CAS":"120-36-5","CAS.Checksum":true,"DTXSID":"DTXSID0020440","Formula":"C9H8Cl2O3","All.Compound.Names":"Dichlorprop|Dtxsid0020440|120-36-5","logHenry":-8.521,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.827,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.369,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.707,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.1,"MP.Reference":"EPA-CCD-OPERA","MW":235.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.23","Human.Clint.pValue":0.08224,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.008529","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"120-36-5"}
{"Compound":"Diclofop-methyl","CAS":"51338-27-3","CAS.Checksum":true,"DTXSID":"DTXSID0032605","Formula":"C16H14Cl2O4","All.Compound.Names":"Diclofop-methyl|(+-)-diclofop-methyl|Dtxsid0032605","logHenry":-8.036,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.709,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.11,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.128,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.1,"MP.Reference":"EPA-CCD-OPERA","MW":341.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6.449","Human.Clint.pValue":0.4109,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"51338-27-3"}
{"Compound":"Diclosulam","CAS":"145701-21-9","CAS.Checksum":true,"DTXSID":"DTXSID4034528","Formula":"C13H10Cl2FN5O3S","All.Compound.Names":"Diclosulam|Dtxsid4034528|145701-21-9","logHenry":-9.275,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.52,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.841,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.805,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.8,"MP.Reference":"EPA-CCD-OPERA","MW":406.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.26","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.76","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"4.83,2.69,8.69","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"3.442","Human.Clint.pValue":5.66e-06,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.00648","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"145701-21-9"}
{"Compound":"Dicofol","CAS":"115-32-2","CAS.Checksum":true,"DTXSID":"DTXSID4020450","Formula":"C14H9Cl5O","All.Compound.Names":"Dicofol|Dtxsid4020450|115-32-2","logHenry":-8.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.024,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.382,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.63,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.48,"MP.Reference":"EPA-CCD-OPERA","MW":370.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"27.8,11.3,829,0.00052","Human.Clint.pValue":0.00052,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"1.57e-08,1.54e-13,0.00196","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"115-32-2"}
{"Compound":"Dicrotophos","CAS":"141-66-2","CAS.Checksum":true,"DTXSID":"DTXSID9023914","Formula":"C8H16NO5P","All.Compound.Names":"Dicrotophos|Dtxsid9023914|141-66-2","logHenry":-10.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.0003,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.379,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6239,"logWSol.Reference":"EPA-CCD-OPERA","MP":-16.06,"MP.Reference":"EPA-CCD-OPERA","MW":237.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"21.9,12.2,39.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"1.887","Human.Clint.pValue":0.09194,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.8457","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"141-66-2"}
{"Compound":"Diethylhexyl phthalate (dehp)","CAS":"117-81-7","CAS.Checksum":true,"DTXSID":"DTXSID5020607","Formula":"C24H38O4","All.Compound.Names":"Diethylhexyl phthalate (dehp)|117-81-7|Di(2-ethylhexyl) phthalate|Dtxsid5020607","logHenry":-6.584,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.525,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.161,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.756,"logWSol.Reference":"EPA-CCD-OPERA","MP":-53.06,"MP.Reference":"EPA-CCD-OPERA","MW":390.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.646","Human.Clint.pValue":0.1937,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Rat.Clint":"10.73","Rat.Clint.pValue":0.2579,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.2152","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"117-81-7"}
{"Compound":"Diethyltoluamide","CAS":"134-62-3","CAS.Checksum":true,"DTXSID":"DTXSID2021995","Formula":"C12H17NO","All.Compound.Names":"Diethyltoluamide|Deet|Dtxsid2021995|134-62-3","logHenry":-6.839,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.184,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.066,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.321,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.41,"MP.Reference":"EPA-CCD-OPERA","MW":191.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"52.7,29.3,94.7","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"3.797","Human.Clint.pValue":0.00005,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.3559","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"134-62-3"}
{"Compound":"Difenoconazole","CAS":"119446-68-3","CAS.Checksum":true,"DTXSID":"DTXSID4032372","Formula":"C19H17Cl2N3O3","All.Compound.Names":"Difenoconazole|Dtxsid4032372|119446-68-3","logHenry":-5.307,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.297,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.434,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.435,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.11,"MP.Reference":"EPA-CCD-OPERA","MW":406.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.56","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"30.6,18.2,36.9,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0115,0.00751,0.0223","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"119446-68-3"}
{"Compound":"Difenzoquat metilsulfate","CAS":"43222-48-6","CAS.Checksum":true,"DTXSID":"DTXSID6024048","Formula":"C18H20N2O4S","All.Compound.Names":"Difenzoquat metilsulfate|Dtxsid6024048|43222-48-6","logHenry":-4.505,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5632,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.314,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3112,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.2,"MP.Reference":"EPA-CCD-OPERA","MW":360.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.6409,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.8513","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"43222-48-6"}
{"Compound":"Dimethenamid","CAS":"87674-68-8","CAS.Checksum":true,"DTXSID":"DTXSID4032376","Formula":"C12H18ClNO2S","All.Compound.Names":"Dimethenamid|Dimethanimid|87674-68-8|Dtxsid4032376","logHenry":-7.091,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.15,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.498,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.343,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.512,"MP.Reference":"EPA-CCD-OPERA","MW":275.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"43.7,24.3,78.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"19.92","Human.Clint.pValue":9.76e-12,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.2318","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.8983,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"101.8","Rat.Clint.pValue":0.0006,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Foral":0.05581,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.5372","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"87674-68-8"}
{"Compound":"Dimethoate","CAS":"60-51-5","CAS.Checksum":true,"DTXSID":"DTXSID7020479","Formula":"C5H12NO3PS2","All.Compound.Names":"Dimethoate|Dtxsid7020479|60-51-5","logHenry":-7.687,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7805,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.137,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8563,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.94,"MP.Reference":"EPA-CCD-OPERA","MW":229.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.45","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.6","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.682","Human.Clint.pValue":0.00243,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.9649","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"60-51-5"}
{"Compound":"Dimethomorph","CAS":"110488-70-5","CAS.Checksum":true,"DTXSID":"DTXSID7034545","Formula":"C21H22ClNO4","All.Compound.Names":"Dimethomorph|Dtxsid7034545|110488-70-5","logHenry":-8.363,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.68,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.029,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.133,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.9,"MP.Reference":"EPA-CCD-OPERA","MW":387.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"20.3","Human.Clint.pValue":3e-08,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.09428","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"110488-70-5"}
{"Compound":"Dimethyl phthalate","CAS":"131-11-3","CAS.Checksum":true,"DTXSID":"DTXSID3022455","Formula":"C10H10O4","All.Compound.Names":"Dimethyl phthalate|Dtxsid3022455","logHenry":-7.119,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.584,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.134,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.687,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.72,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"22.26","Human.Clint.pValue":0.2039,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.656","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"131-11-3"}
{"Compound":"Diniconazole","CAS":"83657-24-3","CAS.Checksum":true,"DTXSID":"DTXSID2040363","Formula":"C15H17Cl2N3O","All.Compound.Names":"Diniconazole|Dtxsid2040363|83657-24-3","logHenry":-8.999,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.297,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.699,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.908,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.7,"MP.Reference":"EPA-CCD-OPERA","MW":326.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.1454721,13.78689","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"10.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"36.6,20.4,65.8","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"2.587","Human.Clint.pValue":0.09297,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.01947","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"83657-24-3"}
{"Compound":"Diphenylamine","CAS":"122-39-4","CAS.Checksum":true,"DTXSID":"DTXSID4021975","Formula":"C12H11N","All.Compound.Names":"Diphenylamine|122-39-4|Dtxsid4021975","logHenry":-7.133,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.499,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.157,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.587,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.9,"MP.Reference":"EPA-CCD-OPERA","MW":169.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"64.57","Human.Clint.pValue":0.02646,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.003875","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.6436,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"38.58","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"122-39-4"}
{"Compound":"Disulfoton","CAS":"298-04-4","CAS.Checksum":true,"DTXSID":"DTXSID0022018","Formula":"C8H19O2PS3","All.Compound.Names":"Disulfoton|Dtxsid0022018","logHenry":-5.321,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.018,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.344,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.18,"logWSol.Reference":"EPA-CCD-OPERA","MP":-24.99,"MP.Reference":"EPA-CCD-OPERA","MW":274.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"412,154,1260,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"1.65e-06,2.34e-13,0.971","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"298-04-4"}
{"Compound":"Dithiopyr","CAS":"97886-45-8","CAS.Checksum":true,"DTXSID":"DTXSID9032379","Formula":"C15H16F5NO2S2","All.Compound.Names":"Dithiopyr|97886-45-8|Dtxsid9032379","logHenry":-8.459,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.749,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.903,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.457,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.03,"MP.Reference":"EPA-CCD-OPERA","MW":401.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"13.25","Human.Clint.pValue":0.00004,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.6436,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"17.51","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.002593","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"97886-45-8"}
{"Compound":"Diuron","CAS":"330-54-1","CAS.Checksum":true,"DTXSID":"DTXSID0020446","Formula":"C9H10Cl2N2O","All.Compound.Names":"Diuron|330-54-1|Dtxsid0020446","logHenry":-8.816,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.678,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.279,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.76,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.9,"MP.Reference":"EPA-CCD-OPERA","MW":233.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"50.1,27.9,90.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"12.15","Human.Clint.pValue":0.00231,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1615","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.8696,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"2.742","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"330-54-1"}
{"Compound":"Emamectin benzoate","CAS":"155569-91-8","CAS.Checksum":true,"DTXSID":"DTXSID0034566","All.Compound.Names":"Emamectin benzoate|Emamectin","logP":5,"logP.Reference":"Tonnelier 2012","MW":1008,"MW.Reference":"Tonnelier 2012","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.1978,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.001379","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"155569-91-8"}
{"Compound":"Endosulfan","CAS":"115-29-7","CAS.Checksum":true,"DTXSID":"DTXSID1020560","Formula":"C9H6Cl6O3S","All.Compound.Names":"Endosulfan|Dtxsid1020560","logHenry":-4.617,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.828,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.984,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.994,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.1,"MP.Reference":"EPA-CCD-OPERA","MW":406.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.984","Human.Clint.pValue":0.1142,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.11","Human.Funbound.plasma.Reference":"ECVAM","Human.Rblood2plasma":0.8364,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"115-29-7"}
{"Compound":"Eptc","CAS":"759-94-4","CAS.Checksum":true,"DTXSID":"DTXSID1024091","Formula":"C9H19NOS","All.Compound.Names":"Eptc|Dtxsid1024091|S-ethyl dipropylthiocarbamate|759-94-4","logHenry":-6.539,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.21,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.696,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.706,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.3719,"MP.Reference":"EPA-CCD-OPERA","MW":189.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"80.36","Human.Clint.pValue":1.46e-06,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"759-94-4"}
{"Compound":"Esfenvalerate","CAS":"66230-04-4","CAS.Checksum":true,"DTXSID":"DTXSID4032667","Formula":"C25H22ClNO3","All.Compound.Names":"Esfenvalerate|Dtxsid4032667|Es-fenvalerate","logHenry":-7.085,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.488,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.514,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.37,"MP.Reference":"EPA-CCD-OPERA","MW":419.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"13.9","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.978","Human.Clint.pValue":0.9779,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"3.58e-08,1.83e-13,0.00714","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"66230-04-4"}
{"Compound":"Ethalfluralin","CAS":"55283-68-6","CAS.Checksum":true,"DTXSID":"DTXSID8032386","Formula":"C13H14F3N3O4","All.Compound.Names":"Ethalfluralin|Dtxsid8032386|55283-68-6","logHenry":-6.717,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.11,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.438,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.565,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.48,"MP.Reference":"EPA-CCD-OPERA","MW":333.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.026","Human.Clint.pValue":0.5052,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"55283-68-6"}
{"Compound":"Ethametsulfuron methyl","CAS":"97780-06-8","CAS.Checksum":true,"DTXSID":"DTXSID9034573","Formula":"C15H18N6O6S","All.Compound.Names":"Ethametsulfuron methyl|Ethametsulfuron-methyl|Dtxsid9034573|97780-06-8","logHenry":-10.99,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.59,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.82,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.886,"logWSol.Reference":"EPA-CCD-OPERA","MP":194,"MP.Reference":"EPA-CCD-OPERA","MW":410.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.42","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.46,14.75","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.91,1.06,3.43","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"1.079","Human.Clint.pValue":0.2579,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.01566","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"97780-06-8"}
{"Compound":"Ethofumesate","CAS":"26225-79-6","CAS.Checksum":true,"DTXSID":"DTXSID8034580","Formula":"C13H18O5S","All.Compound.Names":"Ethofumesate|26225-79-6|Dtxsid8034580","logHenry":-5.901,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.703,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.073,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.587,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.06,"MP.Reference":"EPA-CCD-OPERA","MW":286.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"17.64","Human.Clint.pValue":0.00006,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1313","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.8518,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"56.4","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.1386","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"26225-79-6"}
{"Compound":"Ethoprop","CAS":"13194-48-4","CAS.Checksum":true,"DTXSID":"DTXSID4032611","Formula":"C8H19O2PS2","All.Compound.Names":"Ethoprop|13194-48-4|Dtxsid4032611","logHenry":-4.831,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.588,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.05,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.432,"logWSol.Reference":"EPA-CCD-OPERA","MP":-12.91,"MP.Reference":"EPA-CCD-OPERA","MW":242.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"47.7,26.5,85.8","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"20.95","Human.Clint.pValue":1.87e-07,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.09346","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.8216,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"43.26","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.1141","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"13194-48-4"}
{"Compound":"Etoxazole","CAS":"153233-91-1","CAS.Checksum":true,"DTXSID":"DTXSID8034586","Formula":"C21H23F2NO2","All.Compound.Names":"Etoxazole|153233-91-1|Dtxsid8034586","logHenry":-6.228,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.762,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.057,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.692,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.5,"MP.Reference":"EPA-CCD-OPERA","MW":359.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.74","pKa_Accept.Reference":"TNO","pKa_Donor":"8.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"18.48","Human.Clint.pValue":0.01634,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Tonnelier 2012","Human.Rblood2plasma":0.6436,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"42.28","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Foral":0.9993,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.00603","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"153233-91-1"}
{"Compound":"Etridiazole","CAS":"2593-15-9","CAS.Checksum":true,"DTXSID":"DTXSID3032547","Formula":"C5H5Cl3N2OS","All.Compound.Names":"Etridiazole|Dtxsid3032547|2593-15-9","logHenry":-5.535,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.368,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.289,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.364,"logWSol.Reference":"EPA-CCD-OPERA","MP":20,"MP.Reference":"EPA-CCD-OPERA","MW":247.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"127","Human.Clint.pValue":0.00286,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"2593-15-9"}
{"Compound":"Fenamidone","CAS":"161326-34-7","CAS.Checksum":true,"DTXSID":"DTXSID2034590","Formula":"C17H17N3OS","All.Compound.Names":"Fenamidone|(s)-1-anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|Dtxsid2034590|161326-34-7","logHenry":-9.122,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.747,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.013,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.601,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.4,"MP.Reference":"EPA-CCD-OPERA","MW":311.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"38.5,21.4,69.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"17.74","Human.Clint.pValue":9.21e-11,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.02436","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"161326-34-7"}
{"Compound":"Fenamiphos","CAS":"22224-92-6","CAS.Checksum":true,"DTXSID":"DTXSID3024102","Formula":"C13H22NO3PS","All.Compound.Names":"Fenamiphos|Dtxsid3024102|22224-92-6","logHenry":-6.877,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.23,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.021,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.955,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.02,"MP.Reference":"EPA-CCD-OPERA","MW":303.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"62.11","Human.Clint.pValue":0.00763,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.04138","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"22224-92-6"}
{"Compound":"Fenarimol","CAS":"60168-88-9","CAS.Checksum":true,"DTXSID":"DTXSID2032390","Formula":"C17H12Cl2N2O","All.Compound.Names":"Fenarimol|60168-88-9|Dtxsid2032390","logHenry":-9.272,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.59,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.092,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.377,"logWSol.Reference":"EPA-CCD-OPERA","MP":118,"MP.Reference":"EPA-CCD-OPERA","MW":331.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.04","pKa_Accept.Reference":"TNO","pKa_Donor":"11.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"28.9,16.1,52","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"3.788","Human.Clint.pValue":0.0078,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.03671","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.7478,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"1.57","Rat.Clint.pValue":0.0825,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Foral":0.2548,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.0276","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"60168-88-9"}
{"Compound":"Fenbuconazole","CAS":"114369-43-6","CAS.Checksum":true,"DTXSID":"DTXSID8032548","Formula":"C19H17ClN4","All.Compound.Names":"Fenbuconazole|114369-43-6|4-(4-chlorophenyl)-2-phenyl-2-(1h-1,2,4-triazol-1-ylmethyl)butyronitrile|Dtxsid8032548","logHenry":-5.405,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.864,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.948,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.1,"MP.Reference":"EPA-CCD-OPERA","MW":336.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"21.7,11.7,26.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0188,0.015,0.0276","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":0.6436,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"3.886","Rat.Clint.pValue":0.0214,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.293","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"114369-43-6"}
{"Compound":"Fenhexamid","CAS":"126833-17-8","CAS.Checksum":true,"DTXSID":"DTXSID3032549","Formula":"C14H17Cl2NO2","All.Compound.Names":"Fenhexamid|Dtxsid3032549|126833-17-8","logHenry":-9.798,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.513,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.705,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.176,"logWSol.Reference":"EPA-CCD-OPERA","MP":221.1,"MP.Reference":"EPA-CCD-OPERA","MW":302.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.40,13.34","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"35.27","Human.Clint.pValue":9.38e-12,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.05719","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"126833-17-8"}
{"Compound":"Fenitrothion","CAS":"122-14-5","CAS.Checksum":true,"DTXSID":"DTXSID4032613","Formula":"C9H12NO5PS","All.Compound.Names":"Fenitrothion|Dtxsid4032613|122-14-5","logHenry":-6.035,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.301,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.565,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.98,"logWSol.Reference":"EPA-CCD-OPERA","MP":3.513,"MP.Reference":"EPA-CCD-OPERA","MW":277.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10.02","Human.Clint.pValue":0.00001,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"122-14-5"}
{"Compound":"Fenoxaprop-ethyl","CAS":"66441-23-4","CAS.Checksum":true,"DTXSID":"DTXSID2032392","Formula":"C18H16ClNO5","All.Compound.Names":"Fenoxaprop-ethyl|Dtxsid2032392|66441-23-4","logHenry":-6.846,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.579,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.951,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.608,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.17,"MP.Reference":"EPA-CCD-OPERA","MW":361.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"54.93","Human.Clint.pValue":0.2419,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"66441-23-4"}
{"Compound":"Fenoxycarb","CAS":"72490-01-8","CAS.Checksum":true,"DTXSID":"DTXSID7032393","Formula":"C17H19NO4","All.Compound.Names":"Fenoxycarb|Dtxsid7032393|72490-01-8","logHenry":-9.313,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.297,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.639,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.681,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.38,"MP.Reference":"EPA-CCD-OPERA","MW":301.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"23.1","Human.Clint.pValue":0.00693,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.00327","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"72490-01-8"}
{"Compound":"Fenthion","CAS":"55-38-9","CAS.Checksum":true,"DTXSID":"DTXSID8020620","Formula":"C10H15O3PS2","All.Compound.Names":"Fenthion|Dtxsid8020620","logHenry":-5.962,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.09,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.336,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.634,"logWSol.Reference":"EPA-CCD-OPERA","MP":7.513,"MP.Reference":"EPA-CCD-OPERA","MW":278.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"44.9,25,80.8","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"87.2","Human.Clint.pValue":3.71e-07,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Rat.Clint":"244","Rat.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"55-38-9"}
{"Compound":"Fentin","CAS":"76-87-9","CAS.Checksum":true,"DTXSID":"DTXSID1021409","Formula":"C18H16OSn","All.Compound.Names":"Fentin|Triphenyltin hydroxide","MW":367,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7.749","Human.Clint.pValue":0.1298,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"76-87-9"}
{"Compound":"Fipronil","CAS":"120068-37-3","CAS.Checksum":true,"DTXSID":"DTXSID4034609","Formula":"C12H4Cl2F6N4OS","All.Compound.Names":"Fipronil|Dtxsid4034609|120068-37-3","logHenry":-8.038,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.998,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.539,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.21,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.5,"MP.Reference":"EPA-CCD-OPERA","MW":437.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"36.5,20.3,65.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"1.367","Human.Clint.pValue":0.2779,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.0461","Human.Funbound.plasma.Reference":"Tonnelier 2012","Chemical.Class":"","_row":"120068-37-3"}
{"Compound":"Fluazifop-p-butyl","CAS":"79241-46-6","CAS.Checksum":true,"DTXSID":"DTXSID0034855","Formula":"C19H20F3NO4","All.Compound.Names":"Fluazifop-p-butyl|Dtxsid0034855|Fuazifop-p-butyl|79241-46-6","logHenry":-7.455,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.5,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.363,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.559,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.152,"MP.Reference":"EPA-CCD-OPERA","MW":383.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"234.4","Human.Clint.pValue":0.00746,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"79241-46-6"}
{"Compound":"Fluazinam","CAS":"79622-59-6","CAS.Checksum":true,"DTXSID":"DTXSID7032551","Formula":"C13H4Cl2F6N4O4","All.Compound.Names":"Fluazinam|Dtxsid7032551|79622-59-6","logHenry":-10.8,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.01,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.745,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.982,"logWSol.Reference":"EPA-CCD-OPERA","MP":113,"MP.Reference":"EPA-CCD-OPERA","MW":465.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"24.76","Human.Clint.pValue":4.15e-07,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.004357","Human.Funbound.plasma.Reference":"Wetmore 2012","Rat.Clint":"233","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"79622-59-6"}
{"Compound":"Fludioxonil","CAS":"131341-86-1","CAS.Checksum":true,"DTXSID":"DTXSID2032398","Formula":"C12H6F2N2O2","All.Compound.Names":"Fludioxonil|131341-86-1|Dtxsid2032398","logHenry":-8.344,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.116,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.78,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.16,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.7,"MP.Reference":"EPA-CCD-OPERA","MW":248.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.05","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.66","pKa_Donor.Reference":"TNO","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"37.05","Human.Clint.pValue":7.44e-15,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.003583","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.6436,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"37.44","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"131341-86-1"}
{"Compound":"Flufenacet","CAS":"142459-58-3","CAS.Checksum":true,"DTXSID":"DTXSID2032552","Formula":"C14H13F4N3O2S","All.Compound.Names":"Flufenacet|142459-58-3|Dtxsid2032552","logHenry":-8.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.091,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.813,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.04,"MP.Reference":"EPA-CCD-OPERA","MW":363.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.44","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.58","pKa_Donor.Reference":"TNO","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"29","Human.Clint.pValue":9.4e-11,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1375","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.8557,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"40.92","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Foral":0.06289,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.2007","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"142459-58-3"}
{"Compound":"Flumetralin","CAS":"62924-70-3","CAS.Checksum":true,"DTXSID":"DTXSID7032553","Formula":"C16H12ClF4N3O4","All.Compound.Names":"Flumetralin|Dtxsid7032553|62924-70-3","logHenry":-5.751,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.447,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.377,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.755,"logWSol.Reference":"EPA-CCD-OPERA","MP":102,"MP.Reference":"EPA-CCD-OPERA","MW":421.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.4377,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"62924-70-3"}
{"Compound":"Flumetsulam","CAS":"98967-40-9","CAS.Checksum":true,"DTXSID":"DTXSID4032615","Formula":"C12H9F2N5O2S","All.Compound.Names":"Flumetsulam|Dtxsid4032615|98967-40-9","logHenry":-7.244,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.61,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.792,"logWSol.Reference":"EPA-CCD-OPERA","MP":251.9,"MP.Reference":"EPA-CCD-OPERA","MW":325.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.359,0.0885,1.45","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"7.521","Human.Clint.pValue":2.17e-07,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.01727","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"98967-40-9"}
{"Compound":"Flumioxazin","CAS":"103361-09-7","CAS.Checksum":true,"DTXSID":"DTXSID7032555","Formula":"C19H15FN2O4","All.Compound.Names":"Flumioxazin|Dtxsid7032555|103361-09-7","logHenry":-9.4,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.549,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.135,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.298,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.4,"MP.Reference":"EPA-CCD-OPERA","MW":354.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"8.336","Human.Clint.pValue":3.49e-12,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.02807","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"103361-09-7"}
{"Compound":"Fluometuron","CAS":"2164-17-2","CAS.Checksum":true,"DTXSID":"DTXSID8020628","Formula":"C10H11F3N2O","All.Compound.Names":"Fluometuron|Dtxsid8020628|2164-17-2","logHenry":-8.037,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.421,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.797,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.41,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.9,"MP.Reference":"EPA-CCD-OPERA","MW":232.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"43.8,24.3,78.7","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"10.06","Human.Clint.pValue":0.00078,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.2589","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"2164-17-2"}
{"Compound":"Fluoxastrobin","CAS":"361377-29-9","CAS.Checksum":true,"DTXSID":"DTXSID2034625","Formula":"C21H16ClFN4O5","All.Compound.Names":"Fluoxastrobin|Dtxsid2034625|361377-29-9","logHenry":-8.68,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.011,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.682,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.3,"logWSol.Reference":"EPA-CCD-OPERA","MP":170,"MP.Reference":"EPA-CCD-OPERA","MW":458.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"40.5,22.5,72.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"16.35","Human.Clint.pValue":7.98e-10,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.0362","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"361377-29-9"}
{"Compound":"Fluroxypyr","CAS":"69377-81-7","CAS.Checksum":true,"DTXSID":"DTXSID2034627","Formula":"C7H5Cl2FN2O3","All.Compound.Names":"Fluroxypyr|Dtxsid2034627|69377-81-7","logHenry":-8.032,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.677,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.46,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.519,"logWSol.Reference":"EPA-CCD-OPERA","MP":232,"MP.Reference":"EPA-CCD-OPERA","MW":255,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.791","Human.Clint.pValue":0.00357,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.09194","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"69377-81-7"}
{"Compound":"Fluroxypyr-meptyl","CAS":"81406-37-3","CAS.Checksum":true,"DTXSID":"DTXSID5034303","Formula":"C15H21Cl2FN2O3","All.Compound.Names":"Fluroxypyr-meptyl|Dtxsid5034303|81406-37-3","logHenry":-8.446,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.529,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.398,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.518,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.12,"MP.Reference":"EPA-CCD-OPERA","MW":367.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9.915","Human.Clint.pValue":0.1225,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"81406-37-3"}
{"Compound":"Flusilazole","CAS":"85509-19-9","CAS.Checksum":true,"DTXSID":"DTXSID3024235","Formula":"C16H15F2N3Si","All.Compound.Names":"Flusilazole|85509-19-9|Dtxsid3024235","logHenry":-6.568,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.701,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.824,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.827,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.05,"MP.Reference":"EPA-CCD-OPERA","MW":315.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.32","pKa_Accept.Reference":"TNO","pKa_Donor":"9.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"39.5,22,71","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"6.959","Human.Clint.pValue":4.95e-08,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.02893","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.7311,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"5.002","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.07926","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"85509-19-9"}
{"Compound":"Flutolanil","CAS":"66332-96-5","CAS.Checksum":true,"DTXSID":"DTXSID8024109","Formula":"C17H16F3NO2","All.Compound.Names":"Flutolanil|Dtxsid8024109|66332-96-5","logHenry":-9.672,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.702,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.059,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.612,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.5,"MP.Reference":"EPA-CCD-OPERA","MW":323.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"39.9,22.2,71.8","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"14.17","Human.Clint.pValue":1.79e-06,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.01882","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"66332-96-5"}
{"Compound":"Foramsulfuron","CAS":"173159-57-4","CAS.Checksum":true,"DTXSID":"DTXSID7034753","Formula":"C17H20N6O7S","All.Compound.Names":"Foramsulfuron|Dtxsid7034753|173159-57-4","logHenry":-10.99,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7454,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.727,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.143,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.2,"MP.Reference":"EPA-CCD-OPERA","MW":452.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.78","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.46,14.14","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.04835,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.0649","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"173159-57-4"}
{"Compound":"Forchlorfenuron","CAS":"68157-60-8","CAS.Checksum":true,"DTXSID":"DTXSID1034634","Formula":"C12H10ClN3O","All.Compound.Names":"Forchlorfenuron|Dtxsid1034634|68157-60-8","logHenry":-9.067,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.199,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.062,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.802,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.1,"MP.Reference":"EPA-CCD-OPERA","MW":247.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.58","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"11.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"38.3,21.3,68.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"26.87","Human.Clint.pValue":0.00061,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.02755","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"68157-60-8"}
{"Compound":"Formetanate hydrochloride","CAS":"23422-53-9","CAS.Checksum":true,"DTXSID":"DTXSID4032405","Formula":"C11H16ClN3O2","All.Compound.Names":"Formetanate hydrochloride|23422-53-9|Dtxsid4032405","logHenry":-8.517,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4626,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.252,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4361,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.7,"MP.Reference":"EPA-CCD-OPERA","MW":257.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.89","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"13.72","Human.Clint.pValue":5.73e-10,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.8853","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.7308,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"11.18","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.7485","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"23422-53-9"}
{"Compound":"Fosthiazate","CAS":"98886-44-3","CAS.Checksum":true,"DTXSID":"DTXSID0034930","Formula":"C9H18NO3PS2","All.Compound.Names":"Fosthiazate|Dtxsid0034930|98886-44-3","logHenry":-9.757,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.681,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.139,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.485,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.64,"MP.Reference":"EPA-CCD-OPERA","MW":283.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.00206,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.4599","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"98886-44-3"}
{"Compound":"Halosulfuron-methyl","CAS":"100784-20-1","CAS.Checksum":true,"DTXSID":"DTXSID9034650","Formula":"C13H15ClN6O7S","All.Compound.Names":"Halosulfuron-methyl|Halosulfuron methyl|100784-20-1|Dtxsid9034650","logHenry":-10.27,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.01661,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.579,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.544,"logWSol.Reference":"EPA-CCD-OPERA","MP":176,"MP.Reference":"EPA-CCD-OPERA","MW":434.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.91","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.03","pKa_Donor.Reference":"TNO","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.00468,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.009462","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.667,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"9.948","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.005002","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"100784-20-1"}
{"Compound":"Hexaconazole","CAS":"79983-71-4","CAS.Checksum":true,"DTXSID":"DTXSID4034653","Formula":"C14H17Cl2N3O","All.Compound.Names":"Hexaconazole|79983-71-4|Dtxsid4034653","logHenry":-9.262,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.899,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.779,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.254,"logWSol.Reference":"EPA-CCD-OPERA","MP":111.1,"MP.Reference":"EPA-CCD-OPERA","MW":314.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.26","pKa_Accept.Reference":"TNO","pKa_Donor":"8.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"36.4,20.2,65.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"16.22","Human.Clint.pValue":4.17e-14,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.041","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.7553,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"46.16","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.06856","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"79983-71-4"}
{"Compound":"Hexazinone","CAS":"51235-04-2","CAS.Checksum":true,"DTXSID":"DTXSID4024145","Formula":"C12H20N4O2","All.Compound.Names":"Hexazinone|Dtxsid4024145|51235-04-2","logHenry":-5.968,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.849,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.775,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8859,"logWSol.Reference":"EPA-CCD-OPERA","MP":116,"MP.Reference":"EPA-CCD-OPERA","MW":252.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.11","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"9.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"26.1,14.5,47","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"6.361","Human.Clint.pValue":4.34e-08,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.613","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"51235-04-2"}
{"Compound":"Hexythiazox","CAS":"78587-05-0","CAS.Checksum":true,"DTXSID":"DTXSID7024299","Formula":"C17H21ClN2O2S","All.Compound.Names":"Hexythiazox|Dtxsid7024299|78587-05-0","logHenry":-8.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.905,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.446,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.081,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.3,"MP.Reference":"EPA-CCD-OPERA","MW":352.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"110.4","Human.Clint.pValue":0.02962,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"78587-05-0"}
{"Compound":"Icaridin","CAS":"119515-38-7","CAS.Checksum":true,"DTXSID":"DTXSID0034227","Formula":"C12H23NO3","All.Compound.Names":"Icaridin|Dtxsid0034227|119515-38-7","logHenry":-8.071,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.534,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.726,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.939,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.53,"MP.Reference":"EPA-CCD-OPERA","MW":229.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"41.9,23.3,75.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"12.56","Human.Clint.pValue":4.71e-07,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.2842","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"119515-38-7"}
{"Compound":"Imazalil","CAS":"35554-44-0","CAS.Checksum":true,"DTXSID":"DTXSID8024151","Formula":"C14H14Cl2N2O","All.Compound.Names":"Imazalil|35554-44-0|Dtxsid8024151","logHenry":-4.879,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.818,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.019,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.212,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.77,"MP.Reference":"EPA-CCD-OPERA","MW":297.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"31.4,17.4,56.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"1.025","Human.Clint.pValue":0.49,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.02956","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.7333,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"46.44","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Foral":0.00296,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.04829","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"35554-44-0"}
{"Compound":"Imazamox","CAS":"114311-32-9","CAS.Checksum":true,"DTXSID":"DTXSID3034664","Formula":"C15H19N3O4","All.Compound.Names":"Imazamox|Dtxsid3034664|114311-32-9","logHenry":-10.19,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7307,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.475,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.767,"logWSol.Reference":"EPA-CCD-OPERA","MP":166,"MP.Reference":"EPA-CCD-OPERA","MW":305.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.62","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.242,0.0598,0.982","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.00701,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.4548","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"114311-32-9"}
{"Compound":"Imazapic","CAS":"104098-48-8","CAS.Checksum":true,"DTXSID":"DTXSID5034270","Formula":"C14H17N3O3","All.Compound.Names":"Imazapic|Dtxsid5034270|104098-48-8","logHenry":-9.519,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.464,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.616,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.09,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.8,"MP.Reference":"EPA-CCD-OPERA","MW":275.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.23","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.758,0.187,3.07","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.3311,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.5468","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"104098-48-8"}
{"Compound":"Imazapyr","CAS":"81334-34-1","CAS.Checksum":true,"DTXSID":"DTXSID8034665","Formula":"C13H15N3O3","All.Compound.Names":"Imazapyr|Dtxsid8034665|81334-34-1","logHenry":-9.517,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2237,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.775,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.363,"logWSol.Reference":"EPA-CCD-OPERA","MP":171,"MP.Reference":"EPA-CCD-OPERA","MW":261.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.65","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"4.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.45,0.111,1.82","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0.3874","Human.Clint.pValue":0.7478,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.9231","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"81334-34-1"}
{"Compound":"Imazaquin","CAS":"81335-37-7","CAS.Checksum":true,"DTXSID":"DTXSID3024152","Formula":"C17H17N3O3","All.Compound.Names":"Imazaquin|Dtxsid3024152|81335-37-7","logHenry":-9.681,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.861,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.476,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.521,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.9,"MP.Reference":"EPA-CCD-OPERA","MW":311.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.77","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"4.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.08,1.71,5.53","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"2.457","Human.Clint.pValue":0.00338,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1513","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"81335-37-7"}
{"Compound":"Imazethapyr","CAS":"81335-77-5","CAS.Checksum":true,"DTXSID":"DTXSID3024287","Formula":"C15H19N3O3","All.Compound.Names":"Imazethapyr|Dtxsid3024287|81335-77-5","logHenry":-9.523,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.446,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.71,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.313,"logWSol.Reference":"EPA-CCD-OPERA","MP":171,"MP.Reference":"EPA-CCD-OPERA","MW":289.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.7","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.542,0.134,2.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"2.351","Human.Clint.pValue":0.04274,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.2895","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"81335-77-5"}
{"Compound":"Imidacloprid","CAS":"138261-41-3","CAS.Checksum":true,"DTXSID":"DTXSID5032442","Formula":"C9H10ClN5O2","All.Compound.Names":"Imidacloprid|138261-41-3|Dtxsid5032442","logHenry":-9.715,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5735,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.624,"logWSol.Reference":"EPA-CCD-OPERA","MP":144,"MP.Reference":"EPA-CCD-OPERA","MW":255.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.93","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.39","pKa_Donor.Reference":"TNO","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"37.1,20.7,66.8","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"2.807","Human.Clint.pValue":0.04207,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.6559","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.8665,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"0","Rat.Clint.pValue":0.0065,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Foral":0.9994,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.8393","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"138261-41-3"}
{"Compound":"Indoxacarb","CAS":"173584-44-6","CAS.Checksum":true,"DTXSID":"DTXSID1032690","Formula":"C22H17ClF3N3O7","All.Compound.Names":"Indoxacarb|Dtxsid1032690|173584-44-6","logHenry":-7.665,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.647,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.036,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.417,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.4,"MP.Reference":"EPA-CCD-OPERA","MW":527.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"31.36","Human.Clint.pValue":1.28e-06,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"173584-44-6"}
{"Compound":"Iodosulfuron-methyl-sodium","CAS":"144550-36-7","CAS.Checksum":true,"DTXSID":"DTXSID2034673","Formula":"C14H13IN5NaO6S","All.Compound.Names":"Iodosulfuron-methyl-sodium|Iodosulfuron methyl ester sodium salt|Dtxsid2034673|144550-36-7","logHenry":-11.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.881,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.746,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.336,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.7,"MP.Reference":"EPA-CCD-OPERA","MW":529.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.23","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.45","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"4.78,2.66,8.59","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"5.691","Human.Clint.pValue":2.54e-06,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.006681","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"144550-36-7"}
{"Compound":"Iprodione","CAS":"36734-19-7","CAS.Checksum":true,"DTXSID":"DTXSID3024154","Formula":"C13H13Cl2N3O3","All.Compound.Names":"Iprodione|3-(3,5-dichlorophenyl)-n-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide|Dtxsid3024154|36734-19-7","logHenry":-8.506,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.998,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.347,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.398,"logWSol.Reference":"EPA-CCD-OPERA","MP":136,"MP.Reference":"EPA-CCD-OPERA","MW":330.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.95","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"38.9,21.6,69.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"11.7","Human.Clint.pValue":0.03092,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"36734-19-7"}
{"Compound":"Isazofos","CAS":"42509-80-8","CAS.Checksum":true,"DTXSID":"DTXSID7034676","Formula":"C9H17ClN3O3PS","All.Compound.Names":"Isazofos|42509-80-8|Dtxsid7034676","logHenry":-6.517,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.819,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.962,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.604,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.125,"MP.Reference":"EPA-CCD-OPERA","MW":313.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"45.1,25.1,81.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"19.53","Human.Clint.pValue":2.47e-13,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.06539","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.7912,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"81.88","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.1072","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"42509-80-8"}
{"Compound":"Isoxaben","CAS":"82558-50-7","CAS.Checksum":true,"DTXSID":"DTXSID8024159","Formula":"C18H24N2O4","All.Compound.Names":"Isoxaben|Dtxsid8024159|82558-50-7","logHenry":-8.492,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.94,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.609,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.429,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.5,"MP.Reference":"EPA-CCD-OPERA","MW":332.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.17","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.30","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"17.7,10,20.6,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0718,0.0631,0.0849","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"82558-50-7"}
{"Compound":"Isoxaflutole","CAS":"141112-29-0","CAS.Checksum":true,"DTXSID":"DTXSID5034723","Formula":"C15H12F3NO4S","All.Compound.Names":"Isoxaflutole|141112-29-0|Dtxsid5034723","logHenry":-9.732,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.322,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.111,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.759,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.9,"MP.Reference":"EPA-CCD-OPERA","MW":359.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.2,0.666,2.15","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"20.42","Human.Clint.pValue":0.00242,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.01655","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.6986,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"0","Rat.Clint.pValue":0.0001,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.06219","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"141112-29-0"}
{"Compound":"Lactofen","CAS":"77501-63-4","CAS.Checksum":true,"DTXSID":"DTXSID7024160","Formula":"C19H15ClF3NO7","All.Compound.Names":"Lactofen|Dtxsid7024160|77501-63-4","logHenry":-8.315,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.808,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.459,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.662,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.1,"MP.Reference":"EPA-CCD-OPERA","MW":461.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.28","Human.Clint.pValue":0.4648,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"77501-63-4"}
{"Compound":"Lindane","CAS":"58-89-9","CAS.Checksum":true,"DTXSID":"DTXSID2020686","Formula":"C6H6Cl6","All.Compound.Names":"Lindane|58-89-9|Dtxsid2020686","logHenry":-5.493,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.719,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.373,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.815,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.73,"MP.Reference":"EPA-CCD-OPERA","MW":290.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.989","Human.Clint.pValue":0.989,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0165,0.0103,0.0308","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":0.6436,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"5.288","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"58-89-9"}
{"Compound":"Linuron","CAS":"330-55-2","CAS.Checksum":true,"DTXSID":"DTXSID2024163","Formula":"C9H10Cl2N2O2","All.Compound.Names":"Linuron|Dtxsid2024163|330-55-2","logHenry":-8.952,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.198,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.73,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.538,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.03,"MP.Reference":"EPA-CCD-OPERA","MW":249.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"39.8,22.1,71.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"33.05","Human.Clint.pValue":0.00005,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1051","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"330-55-2"}
{"Compound":"Malathion","CAS":"121-75-5","CAS.Checksum":true,"DTXSID":"DTXSID4020791","Formula":"C10H19O6PS2","All.Compound.Names":"Malathion|Dtxsid4020791","logHenry":-8.312,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.359,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.253,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.357,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.833,"MP.Reference":"EPA-CCD-OPERA","MW":330.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.263,0.0649,1.07","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"368,149,1250,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.145,0.131,0.158","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"121-75-5"}
{"Compound":"Mcpa","CAS":"94-74-6","CAS.Checksum":true,"DTXSID":"DTXSID4024195","Formula":"C9H9ClO3","All.Compound.Names":"Mcpa|94-74-6|2-(4-chloro-2-methylphenoxy)acetic acid|Dtxsid4024195","logHenry":-8.152,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.243,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.288,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.021,"logWSol.Reference":"EPA-CCD-OPERA","MP":120,"MP.Reference":"EPA-CCD-OPERA","MW":200.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"21.6,12,38.8","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.04265,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.01797","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":1.3,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"0","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.01714","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"94-74-6"}
{"Compound":"Mesosulfuron-methyl","CAS":"208465-21-8","CAS.Checksum":true,"DTXSID":"DTXSID6034712","Formula":"C17H21N5O9S2","All.Compound.Names":"Mesosulfuron-methyl|Dtxsid6034712|208465-21-8","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.014,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.422,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.021,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.3,"MP.Reference":"EPA-CCD-OPERA","MW":503.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.452","Human.Clint.pValue":0.0015,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"208465-21-8"}
{"Compound":"Mesotrione","CAS":"104206-82-8","CAS.Checksum":true,"DTXSID":"DTXSID7032424","Formula":"C14H13NO7S","All.Compound.Names":"Mesotrione|Dtxsid7032424|104206-82-8","logHenry":-8.993,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.783,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.13,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.039,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.5,"MP.Reference":"EPA-CCD-OPERA","MW":339.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.508,0.125,2.06","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0.3542","Human.Clint.pValue":0.7945,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.3548","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"104206-82-8"}
{"Compound":"Metalaxyl","CAS":"57837-19-1","CAS.Checksum":true,"DTXSID":"DTXSID6024175","Formula":"C15H21NO4","All.Compound.Names":"Metalaxyl|Dtxsid6024175|57837-19-1","logHenry":-8.406,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.65,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.187,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.36,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.3,"MP.Reference":"EPA-CCD-OPERA","MW":279.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.58","Human.Clint.pValue":0.1318,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.7306","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"57837-19-1"}
{"Compound":"Methidathion","CAS":"950-37-8","CAS.Checksum":true,"DTXSID":"DTXSID5020819","Formula":"C6H11N2O4PS3","All.Compound.Names":"Methidathion|Dtxsid5020819|950-37-8","logHenry":-9.551,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.199,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.257,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.171,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.03,"MP.Reference":"EPA-CCD-OPERA","MW":302.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.924","Human.Clint.pValue":0.0099,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.2685","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"950-37-8"}
{"Compound":"Methoxychlor","CAS":"72-43-5","CAS.Checksum":true,"DTXSID":"DTXSID9020827","Formula":"C16H15Cl3O2","All.Compound.Names":"Methoxychlor|Dtxsid9020827","logHenry":-6.688,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.08,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.093,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.611,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.96,"MP.Reference":"EPA-CCD-OPERA","MW":345.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"12.5,4.45,21,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0171,0.0113,0.0273","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"72-43-5"}
{"Compound":"Methoxyfenozide","CAS":"161050-58-4","CAS.Checksum":true,"DTXSID":"DTXSID3032628","Formula":"C22H28N2O3","All.Compound.Names":"Methoxyfenozide|Dtxsid3032628|161050-58-4","logHenry":-8.829,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.699,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.7,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.309,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.5,"MP.Reference":"EPA-CCD-OPERA","MW":368.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.46","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"10.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"45.1,25.1,81.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"16.2","Human.Clint.pValue":8.08e-09,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.06119","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"161050-58-4"}
{"Compound":"Methyl parathion","CAS":"298-00-0","CAS.Checksum":true,"DTXSID":"DTXSID1020855","Formula":"C8H10NO5PS","All.Compound.Names":"Methyl parathion|Methylparathion|Dtxsid1020855|298-00-0","logHenry":-6.997,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.862,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.347,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.761,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.4,"MP.Reference":"EPA-CCD-OPERA","MW":263.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"14.19","Human.Clint.pValue":0.00002,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.02832","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"298-00-0"}
{"Compound":"Metolachlor","CAS":"51218-45-2","CAS.Checksum":true,"DTXSID":"DTXSID4022448","Formula":"C15H22ClNO2","All.Compound.Names":"Metolachlor|Dtxsid4022448|51218-45-2","logHenry":-8.045,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.131,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.257,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.739,"logWSol.Reference":"EPA-CCD-OPERA","MP":-49.18,"MP.Reference":"EPA-CCD-OPERA","MW":283.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"35.37","Human.Clint.pValue":1.27e-08,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1773","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"51218-45-2"}
{"Compound":"Metribuzin","CAS":"21087-64-9","CAS.Checksum":true,"DTXSID":"DTXSID6024204","Formula":"C8H14N4OS","All.Compound.Names":"Metribuzin|Dtxsid6024204|21087-64-9","logHenry":-7.913,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.814,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.284,"logWSol.Reference":"EPA-CCD-OPERA","MP":126,"MP.Reference":"EPA-CCD-OPERA","MW":214.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"40.8,22.7,73.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"1.067","Human.Clint.pValue":0.03703,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.4787","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"21087-64-9"}
{"Compound":"Metsulfuron-methyl","CAS":"74223-64-6","CAS.Checksum":true,"DTXSID":"DTXSID6023864","Formula":"C14H15N5O6S","All.Compound.Names":"Metsulfuron-methyl|Dtxsid6023864|74223-64-6","logHenry":-11.05,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.199,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.349,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.876,"logWSol.Reference":"EPA-CCD-OPERA","MP":162,"MP.Reference":"EPA-CCD-OPERA","MW":381.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.04","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.46","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.319","Human.Clint.pValue":0.01843,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.08599","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"74223-64-6"}
{"Compound":"Mevinphos","CAS":"7786-34-7","CAS.Checksum":true,"DTXSID":"DTXSID2032683","Formula":"C7H13O6P","All.Compound.Names":"Mevinphos|Dtxsid2032683","logHenry":-8.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1298,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.554,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5017,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.37,"MP.Reference":"EPA-CCD-OPERA","MW":224.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.7,2.98,6.08,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.674,0.52,0.857","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"7786-34-7"}
{"Compound":"Mgk","CAS":"113-48-4","CAS.Checksum":true,"DTXSID":"DTXSID6032562","Formula":"C17H25NO2","All.Compound.Names":"Mgk|Mgk-264|Octylbicycloheptenedicarboximide|Dtxsid6032562|113-48-4","logHenry":-6.995,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.243,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.757,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.33,"MP.Reference":"EPA-CCD-OPERA","MW":275.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"134.3","Human.Clint.pValue":0.1442,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Tonnelier 2012","Chemical.Class":"","_row":"113-48-4"}
{"Compound":"Molinate","CAS":"2212-67-1","CAS.Checksum":true,"DTXSID":"DTXSID6024206","Formula":"C9H17NOS","All.Compound.Names":"Molinate|Dtxsid6024206|2212-67-1","logHenry":-5.392,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.209,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.456,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.271,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.54,"MP.Reference":"EPA-CCD-OPERA","MW":187.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"35.1,19.5,63.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"11.6","Human.Clint.pValue":0.05609,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.09714","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"2212-67-1"}
{"Compound":"Monobutyl phthalate","CAS":"131-70-4","CAS.Checksum":true,"DTXSID":"DTXSID4040002","Formula":"C12H14O4","All.Compound.Names":"Monobutyl phthalate|Dtxsid4040002|131-70-4","logHenry":-8.497,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.372,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.665,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.973,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.79,"MP.Reference":"EPA-CCD-OPERA","MW":222.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"13.1,7.28,23.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0.7359","Human.Clint.pValue":0.1657,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.2077","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"131-70-4"}
{"Compound":"Myclobutanil","CAS":"88671-89-0","CAS.Checksum":true,"DTXSID":"DTXSID8024315","Formula":"C15H17ClN4","All.Compound.Names":"Myclobutanil|Dtxsid8024315|88671-89-0","logHenry":-6.497,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.94,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.056,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.318,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.8,"MP.Reference":"EPA-CCD-OPERA","MW":288.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"43.7,24.3,78.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"16.4","Human.Clint.pValue":9.69e-07,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.08429","Human.Funbound.plasma.Reference":"Wetmore 2012","Rat.Clint":"91.1","Rat.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"88671-89-0"}
{"Compound":"Napropamide","CAS":"15299-99-7","CAS.Checksum":true,"DTXSID":"DTXSID5024211","Formula":"C17H21NO2","All.Compound.Names":"Napropamide|Dtxsid5024211|15299-99-7","logHenry":-7.202,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.358,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.998,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.565,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.21,"MP.Reference":"EPA-CCD-OPERA","MW":271.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"41.1,22.9,74","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"15.15","Human.Clint.pValue":0.00352,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"15299-99-7"}
{"Compound":"Niclosamide","CAS":"50-65-7","CAS.Checksum":true,"DTXSID":"DTXSID7040362","Formula":"C13H8Cl2N2O4","All.Compound.Names":"Niclosamide|5-chloro-n-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide|Dtxsid7040362|50-65-7","logHenry":-8.295,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.748,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.587,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.205,"logWSol.Reference":"EPA-CCD-OPERA","MP":230,"MP.Reference":"EPA-CCD-OPERA","MW":327.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.89,12.07","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"12","Human.Clint.pValue":1.1e-06,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"50-65-7"}
{"Compound":"Nitrapyrin","CAS":"1929-82-4","CAS.Checksum":true,"DTXSID":"DTXSID0024216","Formula":"C6H3Cl4N","All.Compound.Names":"Nitrapyrin|Dtxsid0024216|1929-82-4","logHenry":-3.794,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.41,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.345,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.686,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.03,"MP.Reference":"EPA-CCD-OPERA","MW":230.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"238,26.4,1280,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"5.81e-08,1.82e-13,0.0243","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1929-82-4"}
{"Compound":"Norflurazon","CAS":"27314-13-2","CAS.Checksum":true,"DTXSID":"DTXSID8024234","Formula":"C12H9ClF3N3O","All.Compound.Names":"Norflurazon|Dtxsid8024234|27314-13-2","logHenry":-8.956,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.378,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.994,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.8,"MP.Reference":"EPA-CCD-OPERA","MW":303.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.6","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.55","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"43.6,24.2,78.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"11.09","Human.Clint.pValue":0.00002,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1841","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"27314-13-2"}
{"Compound":"Novaluron","CAS":"116714-46-6","CAS.Checksum":true,"DTXSID":"DTXSID5034773","Formula":"C17H9ClF8N2O4","All.Compound.Names":"Novaluron|116714-46-6|Dtxsid5034773","logHenry":-10.95,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.27,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.204,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.385,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.5,"MP.Reference":"EPA-CCD-OPERA","MW":492.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.873","Human.Clint.pValue":0.01426,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.6436,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"0","Rat.Clint.pValue":0.9757,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Foral":1,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.01396","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"116714-46-6"}
{"Compound":"Oryzalin","CAS":"19044-88-3","CAS.Checksum":true,"DTXSID":"DTXSID8024238","Formula":"C12H18N4O6S","All.Compound.Names":"Oryzalin|Dtxsid8024238|19044-88-3","logHenry":-9.538,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.725,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.991,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.849,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.1,"MP.Reference":"EPA-CCD-OPERA","MW":346.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"20.2","Human.Clint.pValue":2.85e-11,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.004802","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"19044-88-3"}
{"Compound":"Oxadiazon","CAS":"19666-30-9","CAS.Checksum":true,"DTXSID":"DTXSID3024239","Formula":"C15H18Cl2N2O3","All.Compound.Names":"Oxadiazon|19666-30-9|Dtxsid3024239","logHenry":-7.1,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.798,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.498,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.707,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.96,"MP.Reference":"EPA-CCD-OPERA","MW":345.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.985","Human.Clint.pValue":0.9849,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00364,5.17e-11,0.0186","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":0.6436,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"7.264","Rat.Clint.pValue":0.0006,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"19666-30-9"}
{"Compound":"Oxamyl","CAS":"23135-22-0","CAS.Checksum":true,"DTXSID":"DTXSID6021086","Formula":"C7H13N3O3S","All.Compound.Names":"Oxamyl|Dtxsid6021086|23135-22-0","logHenry":-9.182,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4706,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.696,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01086,"logWSol.Reference":"EPA-CCD-OPERA","MP":101,"MP.Reference":"EPA-CCD-OPERA","MW":219.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.26","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.3308,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.7926","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"23135-22-0"}
{"Compound":"Oxasulfuron","CAS":"144651-06-9","CAS.Checksum":true,"DTXSID":"DTXSID4034364","Formula":"C17H18N4O6S","All.Compound.Names":"Oxasulfuron|Dtxsid4034364|144651-06-9","logHenry":-9.487,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.101,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.494,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.386,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.4,"MP.Reference":"EPA-CCD-OPERA","MW":406.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.33","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"3.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.107","Human.Clint.pValue":0.00531,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.06084","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"144651-06-9"}
{"Compound":"Oxyfluorfen","CAS":"42874-03-3","CAS.Checksum":true,"DTXSID":"DTXSID7024241","Formula":"C15H11ClF3NO4","All.Compound.Names":"Oxyfluorfen|Dtxsid7024241|42874-03-3","logHenry":-5.484,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.73,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.226,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.501,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.01,"MP.Reference":"EPA-CCD-OPERA","MW":361.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.6246,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1218","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"42874-03-3"}
{"Compound":"Oxytetracycline dihydrate","CAS":"6153-64-6","CAS.Checksum":true,"DTXSID":"DTXSID4023412","Formula":"C22H28N2O11","All.Compound.Names":"Oxytetracycline dihydrate|Oxytetracycline|Dtxsid4023412|6153-64-6","logHenry":-12.03,"logHenry.Reference":"OPERA29","logP":-0.93,"logP.Reference":"OPERA29","logWSol":-3.14,"logWSol.Reference":"OPERA29","MP":201,"MP.Reference":"OPERA29","MW":496.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.5952,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.3982","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"6153-64-6"}
{"Compound":"Paclobutrazol","CAS":"76738-62-0","CAS.Checksum":true,"DTXSID":"DTXSID2024242","Formula":"C15H20ClN3O","All.Compound.Names":"Paclobutrazol|Dtxsid2024242|76738-62-0","logHenry":-6.721,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.202,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.198,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.988,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.4,"MP.Reference":"EPA-CCD-OPERA","MW":293.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.48","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"39.2,21.8,70.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"7.14","Human.Clint.pValue":0.04108,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1538","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"76738-62-0"}
{"Compound":"Parathion","CAS":"56-38-2","CAS.Checksum":true,"DTXSID":"DTXSID7021100","Formula":"C10H14NO5PS","All.Compound.Names":"Parathion|Dtxsid7021100|56-38-2","logHenry":-6.525,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.83,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.505,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.359,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.288,"MP.Reference":"EPA-CCD-OPERA","MW":291.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6.65","Human.Clint.pValue":0.00755,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.04","Human.Funbound.plasma.Reference":"ECVAM","Human.Rblood2plasma":0.7535,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"56-38-2"}
{"Compound":"Pendimethalin","CAS":"40487-42-1","CAS.Checksum":true,"DTXSID":"DTXSID7024245","Formula":"C13H19N3O4","All.Compound.Names":"Pendimethalin|Dtxsid7024245|40487-42-1","logHenry":-6.11,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.198,"logP.Reference":"EPA-CCD-OPERA","logPwa":5,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.969,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.08,"MP.Reference":"EPA-CCD-OPERA","MW":281.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7.214","Human.Clint.pValue":0.01415,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"40487-42-1"}
{"Compound":"Penoxsulam","CAS":"219714-96-2","CAS.Checksum":true,"DTXSID":"DTXSID0034803","Formula":"C16H14F5N5O5S","All.Compound.Names":"Penoxsulam|Dtxsid0034803|219714-96-2","logHenry":-8.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.482,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.88,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.07,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.7,"MP.Reference":"EPA-CCD-OPERA","MW":483.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.69","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.55","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.535,0.132,2.17","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.1824,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.01009","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"219714-96-2"}
{"Compound":"Perfluorooctane sulfonic acid","CAS":"1763-23-1","CAS.Checksum":true,"DTXSID":"DTXSID3031864","Formula":"C8HF17O3S","All.Compound.Names":"Perfluorooctane sulfonic acid|Perfluorooctanesulfonic acid|Pfos|1763-23-1|Dtxsid3031864","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.609,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8616,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.088,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.2,"MP.Reference":"EPA-CCD-OPERA","MW":500.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.01746,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.00363","Human.Funbound.plasma.Reference":"Wetmore 2015","Human.Rblood2plasma":0.6436,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"0","Rat.Clint.pValue":0.0007,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"PFAS","_row":"1763-23-1"}
{"Compound":"Perfluorooctanoic acid","CAS":"335-67-1","CAS.Checksum":true,"DTXSID":"DTXSID8031865","Formula":"C8HF15O2","All.Compound.Names":"Perfluorooctanoic acid|335-67-1|Pfoa|Dtxsid8031865","logHenry":-9.717,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.106,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.05,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.479,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.22,"MP.Reference":"EPA-CCD-OPERA","MW":414.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.644","Human.Clint.pValue":0.06358,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.004779","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.6436,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"0","Rat.Clint.pValue":0.0374,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.002929","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"PFAS","_row":"335-67-1"}
{"Compound":"Permethrin","CAS":"52645-53-1","CAS.Checksum":true,"DTXSID":"DTXSID8022292","Formula":"C21H20Cl2O3","All.Compound.Names":"Permethrin|52645-53-1|Dtxsid8022292","logHenry":-7.622,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.499,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.185,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.672,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.28,"MP.Reference":"EPA-CCD-OPERA","MW":391.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"68.4,5.47,1100,0.00878","Human.Clint.pValue":0.00878,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.6,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1.89e-08,1.73e-13,0.00189","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":0.6436,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"54.7","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Foral":0.9995,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"52645-53-1"}
{"Compound":"Phenoxyethanol","CAS":"122-99-6","CAS.Checksum":true,"DTXSID":"DTXSID9021976","Formula":"C8H10O2","All.Compound.Names":"Phenoxyethanol|2-phenoxyethanol|Dtxsid9021976|122-99-6","logHenry":-6.541,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.161,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.439,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7097,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.3,"MP.Reference":"EPA-CCD-OPERA","MW":138.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"17.89","Human.Clint.pValue":0.2193,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.2957","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"122-99-6"}
{"Compound":"Phosalone","CAS":"2310-17-0","CAS.Checksum":true,"DTXSID":"DTXSID1024259","Formula":"C12H15ClNO4PS2","All.Compound.Names":"Phosalone|Dtxsid1024259|2310-17-0","logHenry":-6.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.38,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.309,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.219,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.77,"MP.Reference":"EPA-CCD-OPERA","MW":367.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"25.1,14.1,33.2,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00608,0.00228,0.0163","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2310-17-0"}
{"Compound":"Picloram","CAS":"1918-02-1","CAS.Checksum":true,"DTXSID":"DTXSID1021160","Formula":"C6H3Cl3N2O2","All.Compound.Names":"Picloram|Dtxsid1021160|1918-02-1","logHenry":-9.161,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.899,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.25,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.748,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.5,"MP.Reference":"EPA-CCD-OPERA","MW":241.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.32","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.997","Human.Clint.pValue":0.9973,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.23,0.198,0.275","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1918-02-1"}
{"Compound":"Piperonyl butoxide","CAS":"51-03-6","CAS.Checksum":true,"DTXSID":"DTXSID1021166","Formula":"C19H30O5","All.Compound.Names":"Piperonyl butoxide|Dtxsid1021166","logHenry":-5.649,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.745,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.166,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.372,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.35,"MP.Reference":"EPA-CCD-OPERA","MW":338.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"76.01","Human.Clint.pValue":1.46e-07,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"51-03-6"}
{"Compound":"Pirimicarb","CAS":"23103-98-2","CAS.Checksum":true,"DTXSID":"DTXSID1032569","Formula":"C11H18N4O2","All.Compound.Names":"Pirimicarb|Dtxsid1032569|23103-98-2","logHenry":-8.492,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.698,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.935,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.935,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.54,"MP.Reference":"EPA-CCD-OPERA","MW":238.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"34,18.9,61","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"22.53","Human.Clint.pValue":9.14e-13,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1633","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"23103-98-2"}
{"Compound":"Pirimiphos-methyl","CAS":"29232-93-7","CAS.Checksum":true,"DTXSID":"DTXSID0024266","Formula":"C11H20N3O3PS","All.Compound.Names":"Pirimiphos-methyl|Dtxsid0024266|29232-93-7","logHenry":-6.461,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.197,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.625,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":15,"MP.Reference":"EPA-CCD-OPERA","MW":305.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"49.7,33.2,60.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0134,0.00753,0.031","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"29232-93-7"}
{"Compound":"Prochloraz","CAS":"67747-09-5","CAS.Checksum":true,"DTXSID":"DTXSID4024270","Formula":"C15H16Cl3N3O2","All.Compound.Names":"Prochloraz|Dtxsid4024270|67747-09-5","logHenry":-6.715,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.098,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.659,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.079,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.1,"MP.Reference":"EPA-CCD-OPERA","MW":376.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"35.6,19.8,64.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"16.4","Human.Clint.pValue":2.53e-09,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.02237","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"67747-09-5"}
{"Compound":"Prodiamine","CAS":"29091-21-2","CAS.Checksum":true,"DTXSID":"DTXSID1034210","Formula":"C13H17F3N4O4","All.Compound.Names":"Prodiamine|Dtxsid1034210|29091-21-2","logHenry":-7.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.102,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.327,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.426,"logWSol.Reference":"EPA-CCD-OPERA","MP":124,"MP.Reference":"EPA-CCD-OPERA","MW":350.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.3","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.75","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7.216","Human.Clint.pValue":0.00012,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"29091-21-2"}
{"Compound":"Prometon","CAS":"1610-18-0","CAS.Checksum":true,"DTXSID":"DTXSID6022341","Formula":"C10H19N5O","All.Compound.Names":"Prometon|Dtxsid6022341|1610-18-0","logHenry":-7.523,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.991,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.422,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.516,"logWSol.Reference":"EPA-CCD-OPERA","MP":91.69,"MP.Reference":"EPA-CCD-OPERA","MW":225.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.55","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.27","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"47.3,26.3,85","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"8.17,2.71,10.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0289,0.0216,0.0413","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1610-18-0"}
{"Compound":"Prometryn","CAS":"7287-19-6","CAS.Checksum":true,"DTXSID":"DTXSID4024272","Formula":"C10H19N5S","All.Compound.Names":"Prometryn|Dtxsid4024272|7287-19-6","logHenry":-7.636,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.511,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.6,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.956,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.8,"MP.Reference":"EPA-CCD-OPERA","MW":241.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"38.1,21.2,68.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"35.78","Human.Clint.pValue":4.92e-10,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"7287-19-6"}
{"Compound":"Propamocarb hydrochloride","CAS":"25606-41-1","CAS.Checksum":true,"DTXSID":"DTXSID6034849","Formula":"C9H21ClN2O2","All.Compound.Names":"Propamocarb hydrochloride|25606-41-1|Dtxsid6034849","logHenry":-8.829,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.02809,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.348,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6636,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.26,"MP.Reference":"EPA-CCD-OPERA","MW":224.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.99","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.815","Human.Clint.pValue":0.00001,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.8435","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.765,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"0","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Foral":0.00784,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.7745","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"25606-41-1"}
{"Compound":"Propanil","CAS":"709-98-8","CAS.Checksum":true,"DTXSID":"DTXSID8022111","Formula":"C9H9Cl2NO","All.Compound.Names":"Propanil|Propanull|N-(3,4-dichlorophenyl)propanamide|Dtxsid8022111|709-98-8","logHenry":-8.734,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.071,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.033,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.145,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.17,"MP.Reference":"EPA-CCD-OPERA","MW":218.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"46.6,25.9,83.8","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"11.3,0,18.5,0.0345","Human.Clint.pValue":0.03446,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0713,0.0593,0.0915","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"709-98-8"}
{"Compound":"Propazine","CAS":"139-40-2","CAS.Checksum":true,"DTXSID":"DTXSID3021196","Formula":"C9H16ClN5","All.Compound.Names":"Propazine|2,4-bis(isopropylamino)-6-chloro-1,3,5-triazine|Dtxsid3021196|139-40-2","logHenry":-7.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.931,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.481,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.426,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.8,"MP.Reference":"EPA-CCD-OPERA","MW":229.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"36.4,20.3,65.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"14.6","Human.Clint.pValue":1.9e-11,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.03651","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"139-40-2"}
{"Compound":"Propetamphos","CAS":"31218-83-4","CAS.Checksum":true,"DTXSID":"DTXSID7032470","Formula":"C10H20NO4PS","All.Compound.Names":"Propetamphos|Dtxsid7032470|31218-83-4","logHenry":-9.418,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.816,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.969,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.408,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.684,"MP.Reference":"EPA-CCD-OPERA","MW":281.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.78","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"16.24","Human.Clint.pValue":0.00183,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.009787","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"31218-83-4"}
{"Compound":"Propoxur","CAS":"114-26-1","CAS.Checksum":true,"DTXSID":"DTXSID7021948","Formula":"C11H15NO3","All.Compound.Names":"Propoxur|Dtxsid7021948|114-26-1","logHenry":-8.847,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.524,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.692,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.052,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.01,"MP.Reference":"EPA-CCD-OPERA","MW":209.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"37.7,21,67.8","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"6.899","Human.Clint.pValue":0.00002,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.2159","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"114-26-1"}
{"Compound":"Propyzamide","CAS":"23950-58-5","CAS.Checksum":true,"DTXSID":"DTXSID2020420","Formula":"C12H11Cl2NO","All.Compound.Names":"Propyzamide|23950-58-5|Dtxsid2020420","logHenry":-9.375,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.429,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.189,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.302,"logWSol.Reference":"EPA-CCD-OPERA","MP":155,"MP.Reference":"EPA-CCD-OPERA","MW":256.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.4","Human.Clint.pValue":0.00099,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.06756","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.7949,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"1.71","Rat.Clint.pValue":0.0013,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.09361","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"23950-58-5"}
{"Compound":"Prosulfuron","CAS":"94125-34-5","CAS.Checksum":true,"DTXSID":"DTXSID9034868","Formula":"C15H16F3N5O4S","All.Compound.Names":"Prosulfuron|Dtxsid9034868|94125-34-5","logHenry":-10.61,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.891,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.612,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.09,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.1,"MP.Reference":"EPA-CCD-OPERA","MW":419.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10.37","Human.Clint.pValue":1.78e-07,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"94125-34-5"}
{"Compound":"Pymetrozine","CAS":"123312-89-0","CAS.Checksum":true,"DTXSID":"DTXSID2032637","Formula":"C10H11N5O","All.Compound.Names":"Pymetrozine|Dtxsid2032637|123312-89-0","logHenry":-6.141,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1774,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.873,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.881,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.9,"MP.Reference":"EPA-CCD-OPERA","MW":217.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.76","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.40","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"15.6,8.67,28","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"8.611","Human.Clint.pValue":4.12e-06,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.9946","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"123312-89-0"}
{"Compound":"Pyraclostrobin","CAS":"175013-18-0","CAS.Checksum":true,"DTXSID":"DTXSID7032638","Formula":"C19H18ClN3O4","All.Compound.Names":"Pyraclostrobin|Dtxsid7032638|175013-18-0","logHenry":-6.827,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.99,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.718,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.309,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.2,"MP.Reference":"EPA-CCD-OPERA","MW":387.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"53.93","Human.Clint.pValue":5.062e-07,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.001584","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"175013-18-0"}
{"Compound":"Pyridaben","CAS":"96489-71-3","CAS.Checksum":true,"DTXSID":"DTXSID5032573","Formula":"C19H25ClN2OS","All.Compound.Names":"Pyridaben|Dtxsid5032573|96489-71-3","logHenry":-7.28,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.367,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.949,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.35,"logWSol.Reference":"EPA-CCD-OPERA","MP":111.4,"MP.Reference":"EPA-CCD-OPERA","MW":364.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"63.93","Human.Clint.pValue":0.00053,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"96489-71-3"}
{"Compound":"Pyrimethanil","CAS":"53112-28-0","CAS.Checksum":true,"DTXSID":"DTXSID8034877","Formula":"C12H13N3","All.Compound.Names":"Pyrimethanil|53112-28-0|Dtxsid8034877","logHenry":-6.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.841,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.565,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.223,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.38,"MP.Reference":"EPA-CCD-OPERA","MW":199.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.09","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.67","pKa_Donor.Reference":"TNO","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"43.7,24.3,78.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"43.89","Human.Clint.pValue":4.97e-11,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.01673","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.6986,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"11.41","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.07924","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"53112-28-0"}
{"Compound":"Pyriproxyfen","CAS":"95737-68-1","CAS.Checksum":true,"DTXSID":"DTXSID1032640","Formula":"C20H19NO3","All.Compound.Names":"Pyriproxyfen|Dtxsid1032640|95737-68-1","logHenry":-5.207,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.199,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.127,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.939,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.28,"MP.Reference":"EPA-CCD-OPERA","MW":321.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"16.86","Human.Clint.pValue":7.8e-08,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.000907","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"95737-68-1"}
{"Compound":"Pyrithiobac-sodium","CAS":"123343-16-8","CAS.Checksum":true,"DTXSID":"DTXSID8032673","Formula":"C13H10ClN2NaO4S","All.Compound.Names":"Pyrithiobac-sodium|Pryrithiobac-sodium|Pyrithiobac|123343-16-8|Pyrithiobac sodium|Dtxsid8032673","logHenry":-9.302,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6002,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.09,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3135,"logWSol.Reference":"EPA-CCD-OPERA","MP":247.9,"MP.Reference":"EPA-CCD-OPERA","MW":348.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.53","pKa_Accept.Reference":"TNO","pKa_Donor":"-0.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.993","Human.Clint.pValue":0.9928,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0334,0.0281,0.0417","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":0.7264,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"1.949","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Foral":0.9995,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.009272","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"123343-16-8"}
{"Compound":"Quinclorac","CAS":"84087-01-4","CAS.Checksum":true,"DTXSID":"DTXSID6032641","Formula":"C10H5Cl2NO2","All.Compound.Names":"Quinclorac|Dtxsid6032641|84087-01-4","logHenry":-8.479,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.772,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.053,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.552,"logWSol.Reference":"EPA-CCD-OPERA","MP":273.9,"MP.Reference":"EPA-CCD-OPERA","MW":242.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.17","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"2.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"2.58,1.43,4.63","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.3024,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.02799","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"84087-01-4"}
{"Compound":"Quinoxyfen","CAS":"124495-18-7","CAS.Checksum":true,"DTXSID":"DTXSID2034881","Formula":"C15H8Cl2FNO","All.Compound.Names":"Quinoxyfen|Dtxsid2034881|124495-18-7","logHenry":-5.717,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.66,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.207,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.624,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.8,"MP.Reference":"EPA-CCD-OPERA","MW":308.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.486,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"124495-18-7"}
{"Compound":"Quintozene","CAS":"82-68-8","CAS.Checksum":true,"DTXSID":"DTXSID2021105","Formula":"C6Cl5NO2","All.Compound.Names":"Quintozene|Pentachloronitrobenzene|Dtxsid2021105|Fartox","logHenry":-3.027,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.64,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.923,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.822,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.9,"MP.Reference":"EPA-CCD-OPERA","MW":295.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"819,185,1310,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"82-68-8"}
{"Compound":"Resmethrin","CAS":"10453-86-8","CAS.Checksum":true,"DTXSID":"DTXSID7022253","Formula":"C22H26O3","All.Compound.Names":"Resmethrin|10453-86-8|Dtxsid7022253","logHenry":-7.488,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.14,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.052,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.646,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.42,"MP.Reference":"EPA-CCD-OPERA","MW":338.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"98.96","Human.Clint.pValue":0.09958,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.6436,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"96.48","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Foral":1,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"10453-86-8"}
{"Compound":"Rimsulfuron","CAS":"122931-48-0","CAS.Checksum":true,"DTXSID":"DTXSID1032642","Formula":"C14H17N5O7S2","All.Compound.Names":"Rimsulfuron|122931-48-0|Dtxsid1032642","logHenry":-10.14,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2909,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.313,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.676,"logWSol.Reference":"EPA-CCD-OPERA","MP":177,"MP.Reference":"EPA-CCD-OPERA","MW":431.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.92","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.95","pKa_Donor.Reference":"TNO","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.06066,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.6278","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.8767,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"0","Rat.Clint.pValue":0.0383,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.4095","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"122931-48-0"}
{"Compound":"Rotenone","CAS":"83-79-4","CAS.Checksum":true,"DTXSID":"DTXSID6021248","Formula":"C23H22O6","All.Compound.Names":"Rotenone|Dtxsid6021248|83-79-4","logHenry":-8.742,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.098,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.597,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.888,"logWSol.Reference":"EPA-CCD-OPERA","MP":176,"MP.Reference":"EPA-CCD-OPERA","MW":394.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.80","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"28.31","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0.003404,0.001696,0.005112","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"83-79-4"}
{"Compound":"s-bioallethrin","CAS":"28434-00-6","CAS.Checksum":true,"DTXSID":"DTXSID2039336","Formula":"C19H26O3","All.Compound.Names":"s-bioallethrin|28434-00-6|S-bioallethrin|Dtxsid2039336","logHenry":-5.046,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.78,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.381,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.981,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.79,"MP.Reference":"EPA-CCD-OPERA","MW":302.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"45.9,16.1,71.7,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"2.31e-08,1.86e-13,0.00401","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":0.8997,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"134.4","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Foral":0.1161,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"28434-00-6"}
{"Compound":"Sethoxydim","CAS":"74051-80-2","CAS.Checksum":true,"DTXSID":"DTXSID9024304","Formula":"C17H29NO3S","All.Compound.Names":"Sethoxydim|Dtxsid9024304|74051-80-2","logHenry":-7.806,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.38,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.226,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.974,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.92,"MP.Reference":"EPA-CCD-OPERA","MW":327.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-1.48","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.51","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"11.87","Human.Clint.pValue":1.6e-09,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.05472","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"74051-80-2"}
{"Compound":"Simazine","CAS":"122-34-9","CAS.Checksum":true,"DTXSID":"DTXSID4021268","Formula":"C7H12ClN5","All.Compound.Names":"Simazine|122-34-9|Dtxsid4021268","logHenry":-7.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.18,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.176,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.366,"logWSol.Reference":"EPA-CCD-OPERA","MP":225.8,"MP.Reference":"EPA-CCD-OPERA","MW":201.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"41.6,23.1,74.7","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"6.326","Human.Clint.pValue":0.00047,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.2845","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.9105,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"4.832","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Foral":0.04846,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.647","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"122-34-9"}
{"Compound":"Spiroxamine","CAS":"118134-30-8","CAS.Checksum":true,"DTXSID":"DTXSID1034212","Formula":"C18H35NO2","All.Compound.Names":"Spiroxamine|Dtxsid1034212|118134-30-8","logHenry":-6.117,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.616,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.355,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.838,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.119,"MP.Reference":"EPA-CCD-OPERA","MW":297.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"28.3,15.8,50.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"3.353","Human.Clint.pValue":0.0108,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.005446","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"118134-30-8"}
{"Compound":"Sulfentrazone","CAS":"122836-35-5","CAS.Checksum":true,"DTXSID":"DTXSID6032645","Formula":"C11H10Cl2F2N4O3S","All.Compound.Names":"Sulfentrazone|Dtxsid6032645|122836-35-5","logHenry":-10.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9936,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.08,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.701,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.1,"MP.Reference":"EPA-CCD-OPERA","MW":387.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.06","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"58,32.2,104","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"5.715","Human.Clint.pValue":0.00064,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.9933","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"122836-35-5"}
{"Compound":"Tebufenozide","CAS":"112410-23-8","CAS.Checksum":true,"DTXSID":"DTXSID4034948","Formula":"C22H28N2O2","All.Compound.Names":"Tebufenozide|Dtxsid4034948|112410-23-8","logHenry":-8.813,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.247,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.19,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.631,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.1,"MP.Reference":"EPA-CCD-OPERA","MW":352.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.29","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"9.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"22.4","Human.Clint.pValue":7.62e-11,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.03378","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"112410-23-8"}
{"Compound":"Tebufenpyrad","CAS":"119168-77-3","CAS.Checksum":true,"DTXSID":"DTXSID0034223","Formula":"C18H24ClN3O","All.Compound.Names":"Tebufenpyrad|Dtxsid0034223|119168-77-3","logHenry":-9.815,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.61,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.104,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.123,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.64,"MP.Reference":"EPA-CCD-OPERA","MW":333.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.27","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.32","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"15.94","Human.Clint.pValue":6.92e-06,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"119168-77-3"}
{"Compound":"Tebupirimfos","CAS":"96182-53-5","CAS.Checksum":true,"DTXSID":"DTXSID1032482","Formula":"C13H23N2O3PS","All.Compound.Names":"Tebupirimfos|Dtxsid1032482|96182-53-5","logHenry":-6.338,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.543,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.034,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.759,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.92,"MP.Reference":"EPA-CCD-OPERA","MW":318.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"22.64","Human.Clint.pValue":1.27e-11,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"96182-53-5"}
{"Compound":"Tebuthiuron","CAS":"34014-18-1","CAS.Checksum":true,"DTXSID":"DTXSID3024316","Formula":"C9H16N4OS","All.Compound.Names":"Tebuthiuron|Dtxsid3024316|34014-18-1","logHenry":-9.919,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.788,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.37,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.965,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.4,"MP.Reference":"EPA-CCD-OPERA","MW":228.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.332","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"8.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"38.3,21.3,68.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"5.282","Human.Clint.pValue":0.00048,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.4172","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"34014-18-1"}
{"Compound":"Tefluthrin","CAS":"79538-32-2","CAS.Checksum":true,"DTXSID":"DTXSID5032577","Formula":"C17H14ClF7O2","All.Compound.Names":"Tefluthrin|Dtxsid5032577","logHenry":-7.77,"logHenry.Reference":"OPERA29","logP":6.5,"logP.Reference":"OPERA29","logWSol":-7.37,"logWSol.Reference":"OPERA29","MP":45,"MP.Reference":"OPERA29","MW":418.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"24.81","Human.Clint.pValue":3.04e-06,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"79538-32-2"}
{"Compound":"Tepraloxydim","CAS":"149979-41-9","CAS.Checksum":true,"DTXSID":"DTXSID7034252","Formula":"C17H24ClNO4","All.Compound.Names":"Tepraloxydim|Dtxsid7034252|149979-41-9","logHenry":-8.549,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.688,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.259,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.9,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.92,"MP.Reference":"EPA-CCD-OPERA","MW":341.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.61","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.6","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"55.2,30.7,99.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"3.349","Human.Clint.pValue":0.00285,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.3834","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"149979-41-9"}
{"Compound":"Terbacil","CAS":"5902-51-2","CAS.Checksum":true,"DTXSID":"DTXSID8024317","Formula":"C9H13ClN2O2","All.Compound.Names":"Terbacil|Dtxsid8024317|5902-51-2","logHenry":-5.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.89,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.622,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.481,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.8,"MP.Reference":"EPA-CCD-OPERA","MW":216.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.35","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.13","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.272","Human.Clint.pValue":0.00372,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1029","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"5902-51-2"}
{"Compound":"Tetraconazole","CAS":"112281-77-3","CAS.Checksum":true,"DTXSID":"DTXSID8034956","Formula":"C13H11Cl2F4N3O","All.Compound.Names":"Tetraconazole|112281-77-3|Dtxsid8034956","logHenry":-5.596,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.56,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.656,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.38,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.109,"MP.Reference":"EPA-CCD-OPERA","MW":372.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.06412,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.02484","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.7215,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"0.0519","Rat.Clint.pValue":0.8297,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.05614","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"PFAS","_row":"112281-77-3"}
{"Compound":"Tetramethrin","CAS":"7696-12-0","CAS.Checksum":true,"DTXSID":"DTXSID6032649","Formula":"C19H25NO4","All.Compound.Names":"Tetramethrin|Dtxsid6032649|7696-12-0","logHenry":-5.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.727,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.847,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.188,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.01,"MP.Reference":"EPA-CCD-OPERA","MW":331.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"37.6","Human.Clint.pValue":0.00009,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"7696-12-0"}
{"Compound":"Thiabendazole","CAS":"148-79-8","CAS.Checksum":true,"DTXSID":"DTXSID0021337","Formula":"C10H7N3S","All.Compound.Names":"Thiabendazole|Dtxsid0021337|148-79-8","logHenry":-7.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.468,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.581,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.599,"logWSol.Reference":"EPA-CCD-OPERA","MP":299.7,"MP.Reference":"EPA-CCD-OPERA","MW":201.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.28","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"48.9,27.2,87.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.00221,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1382","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"148-79-8"}
{"Compound":"Thiacloprid","CAS":"111988-49-9","CAS.Checksum":true,"DTXSID":"DTXSID7034961","Formula":"C10H9ClN4S","All.Compound.Names":"Thiacloprid|Dtxsid7034961|111988-49-9","logHenry":-8.498,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9225,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.251,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.14,"logWSol.Reference":"EPA-CCD-OPERA","MP":140,"MP.Reference":"EPA-CCD-OPERA","MW":252.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"41.7,23.2,75","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"2.574","Human.Clint.pValue":0.00372,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.2857","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"111988-49-9"}
{"Compound":"Thiamethoxam","CAS":"153719-23-4","CAS.Checksum":true,"DTXSID":"DTXSID2034962","Formula":"C8H10ClN5O3S","All.Compound.Names":"Thiamethoxam|Dtxsid2034962|153719-23-4","logHenry":-7.632,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1191,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.499,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.856,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.3,"MP.Reference":"EPA-CCD-OPERA","MW":291.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"11.4,6.37,20.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0.6115","Human.Clint.pValue":0.5767,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.8286","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"153719-23-4"}
{"Compound":"Thiazopyr","CAS":"117718-60-2","CAS.Checksum":true,"DTXSID":"DTXSID1032488","Formula":"C16H17F5N2O2S","All.Compound.Names":"Thiazopyr|Dtxsid1032488|117718-60-2","logHenry":-7.995,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.889,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.065,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.22,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.99,"MP.Reference":"EPA-CCD-OPERA","MW":396.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"41.5","Human.Clint.pValue":0.00003,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.01139","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"117718-60-2"}
{"Compound":"Thidiazuron","CAS":"51707-55-2","CAS.Checksum":true,"DTXSID":"DTXSID0032651","Formula":"C9H8N4OS","All.Compound.Names":"Thidiazuron|51707-55-2|Dtxsid0032651","logHenry":-9.733,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.769,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.361,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.039,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.4,"MP.Reference":"EPA-CCD-OPERA","MW":220.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"40.8,22.7,73.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"4.92","Human.Clint.pValue":0.1546,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.02837","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.7288,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"2.142","Rat.Clint.pValue":0.007,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.1645","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"51707-55-2"}
{"Compound":"Thiobencarb","CAS":"28249-77-6","CAS.Checksum":true,"DTXSID":"DTXSID6024337","Formula":"C12H16ClNOS","All.Compound.Names":"Thiobencarb|Dtxsid6024337|28249-77-6","logHenry":-7.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.4,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.208,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.037,"logWSol.Reference":"EPA-CCD-OPERA","MP":4.438,"MP.Reference":"EPA-CCD-OPERA","MW":257.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"233,64.9,365,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"1.88e-08,1.85e-13,0.00402","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"28249-77-6"}
{"Compound":"Thiophanate-methyl","CAS":"23564-05-8","CAS.Checksum":true,"DTXSID":"DTXSID1024338","Formula":"C12H14N4O4S2","All.Compound.Names":"Thiophanate-methyl|Dtxsid1024338|23564-05-8","logHenry":-9.783,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.4,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.019,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.742,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.4,"MP.Reference":"EPA-CCD-OPERA","MW":342.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"43.7,24.3,78.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"2.469","Human.Clint.pValue":0.02676,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.427","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"23564-05-8"}
{"Compound":"Triadimefon","CAS":"43121-43-3","CAS.Checksum":true,"DTXSID":"DTXSID3023897","Formula":"C14H16ClN3O2","All.Compound.Names":"Triadimefon|43121-43-3|Dtxsid3023897","logHenry":-8.162,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.771,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.185,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.611,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.05,"MP.Reference":"EPA-CCD-OPERA","MW":293.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.93","pKa_Accept.Reference":"TNO","pKa_Donor":"7.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"14.59","Human.Clint.pValue":0.0347,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1142","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.8395,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"11.44","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"43121-43-3"}
{"Compound":"Triadimenol","CAS":"55219-65-3","CAS.Checksum":true,"DTXSID":"DTXSID0032493","Formula":"C14H18ClN3O2","All.Compound.Names":"Triadimenol|Dtxsid0032493|55219-65-3","logHenry":-7.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.901,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.28,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.504,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.1,"MP.Reference":"EPA-CCD-OPERA","MW":295.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.97","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"10.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.00002,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1258","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"55219-65-3"}
{"Compound":"Tri-allate","CAS":"2303-17-5","CAS.Checksum":true,"DTXSID":"DTXSID5024344","Formula":"C10H16Cl3NOS","All.Compound.Names":"Tri-allate|Dtxsid5024344|2303-17-5","logHenry":-4.286,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.6,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.256,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.875,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.02,"MP.Reference":"EPA-CCD-OPERA","MW":304.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.891","Human.Clint.pValue":0.2478,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"2303-17-5"}
{"Compound":"Triasulfuron","CAS":"82097-50-5","CAS.Checksum":true,"DTXSID":"DTXSID0024345","Formula":"C14H16ClN5O5S","All.Compound.Names":"Triasulfuron|Dtxsid0024345|82097-50-5","logHenry":-10.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.102,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.474,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.628,"logWSol.Reference":"EPA-CCD-OPERA","MP":186,"MP.Reference":"EPA-CCD-OPERA","MW":401.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"14.58","Human.Clint.pValue":1.22e-06,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.02305","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"82097-50-5"}
{"Compound":"Tribufos","CAS":"78-48-8","CAS.Checksum":true,"DTXSID":"DTXSID1024174","Formula":"C12H27OPS3","All.Compound.Names":"Tribufos|Dtxsid1024174","logHenry":-6.525,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.406,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.262,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.85,"MP.Reference":"EPA-CCD-OPERA","MW":314.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"125.1","Human.Clint.pValue":0.00104,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.06651","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"78-48-8"}
{"Compound":"Triclopyr","CAS":"55335-06-3","CAS.Checksum":true,"DTXSID":"DTXSID0032497","Formula":"C7H4Cl3NO3","All.Compound.Names":"Triclopyr|Dtxsid0032497|55335-06-3","logHenry":-8.874,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.516,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.351,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.347,"logWSol.Reference":"EPA-CCD-OPERA","MP":149,"MP.Reference":"EPA-CCD-OPERA","MW":256.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.706,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.02237","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"55335-06-3"}
{"Compound":"Triclosan","CAS":"3380-34-5","CAS.Checksum":true,"DTXSID":"DTXSID5032498","Formula":"C12H7Cl3O2","All.Compound.Names":"Triclosan|3380-34-5|Dtxsid5032498","logHenry":-9.185,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.762,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.784,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.462,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.81,"MP.Reference":"EPA-CCD-OPERA","MW":289.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"27.8,14.4,38.5,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00428,8.17e-09,0.0128","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":0.6436,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"34.66","Rat.Clint.pValue":0.0001,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"3380-34-5"}
{"Compound":"Trifloxysulfuron-sodium","CAS":"199119-58-9","CAS.Checksum":true,"DTXSID":"DTXSID8040222","Formula":"C14H13F3N5NaO6S","All.Compound.Names":"Trifloxysulfuron-sodium|Dtxsid8040222|199119-58-9","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8201,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.685,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.257,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.8,"MP.Reference":"EPA-CCD-OPERA","MW":459.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.28","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.5","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"4.8,2.67,8.63","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.9504,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.00376","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"199119-58-9"}
{"Compound":"Triflumizole","CAS":"68694-11-1","CAS.Checksum":true,"DTXSID":"DTXSID2032500","Formula":"C15H15ClF3N3O","All.Compound.Names":"Triflumizole|68694-11-1|Dtxsid2032500","logHenry":-6.607,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.404,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.443,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.983,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.51,"MP.Reference":"EPA-CCD-OPERA","MW":345.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"19.6,8.88,28.4,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00839,0.00498,0.0186","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":0.6436,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"20.62","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.009457","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"68694-11-1"}
{"Compound":"Trifluralin","CAS":"1582-09-8","CAS.Checksum":true,"DTXSID":"DTXSID4021395","Formula":"C13H16F3N3O4","All.Compound.Names":"Trifluralin|Dtxsid4021395|1582-09-8","logHenry":-3.989,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.338,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.076,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.071,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.78,"MP.Reference":"EPA-CCD-OPERA","MW":335.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"210,41.1,1220,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00252,0.00102,0.0179","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1582-09-8"}
{"Compound":"Triflusulfuron-methyl","CAS":"126535-15-7","CAS.Checksum":true,"DTXSID":"DTXSID2032502","Formula":"C17H19F3N6O6S","All.Compound.Names":"Triflusulfuron-methyl|Dtxsid2032502|126535-15-7","logHenry":-11,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.557,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.074,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.279,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.6,"MP.Reference":"EPA-CCD-OPERA","MW":492.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.69","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.45","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"14.47","Human.Clint.pValue":2.88e-11,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.3292","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"126535-15-7"}
{"Compound":"Triticonazole","CAS":"131983-72-7","CAS.Checksum":true,"DTXSID":"DTXSID0032655","Formula":"C17H20ClN3O","All.Compound.Names":"Triticonazole|131983-72-7|Dtxsid0032655","logHenry":-9.533,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.293,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.035,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.993,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.8,"MP.Reference":"EPA-CCD-OPERA","MW":317.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.26","pKa_Accept.Reference":"TNO","pKa_Donor":"8.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"37.3,20.7,67.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"6.118","Human.Clint.pValue":0.00003,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.1373","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.8557,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"17.98","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"131983-72-7"}
{"Compound":"Vinclozolin","CAS":"50471-44-8","CAS.Checksum":true,"DTXSID":"DTXSID4022361","Formula":"C12H9Cl2NO3","All.Compound.Names":"Vinclozolin|Dtxsid4022361|50471-44-8","logHenry":-7.609,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.102,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.578,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.982,"logWSol.Reference":"EPA-CCD-OPERA","MP":108,"MP.Reference":"EPA-CCD-OPERA","MW":286.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"18.34","Human.Clint.pValue":0.00011,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.5936","Human.Funbound.plasma.Reference":"Wetmore 2012","Chemical.Class":"","_row":"50471-44-8"}
{"Compound":"Zoxamide","CAS":"156052-68-5","CAS.Checksum":true,"DTXSID":"DTXSID9032581","Formula":"C14H16Cl3NO2","All.Compound.Names":"Zoxamide|156052-68-5|Dtxsid9032581","logHenry":-8.885,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.759,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.023,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.687,"logWSol.Reference":"EPA-CCD-OPERA","MP":107.8,"MP.Reference":"EPA-CCD-OPERA","MW":336.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.186","Human.Clint.pValue":0.2991,"Human.Clint.pValue.Reference":"Wetmore 2012","Human.Clint.Reference":"Wetmore 2012","Human.Funbound.plasma":"0.01031","Human.Funbound.plasma.Reference":"Wetmore 2012","Human.Rblood2plasma":0.6718,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"41.26","Rat.Clint.pValue":0.00009,"Rat.Clint.pValue.Reference":"Wetmore 2013","Rat.Clint.Reference":"Wetmore 2013","Rat.Funbound.plasma":"0.05388","Rat.Funbound.plasma.Reference":"Wetmore 2013","Chemical.Class":"","_row":"156052-68-5"}
{"Compound":"\"n-phenyl-1,4-benzenediamine\"","CAS":"101-54-2","CAS.Checksum":true,"DTXSID":"DTXSID7025895","Formula":"C12H12N2","All.Compound.Names":"\"n-phenyl-1,4-benzenediamine\"|N-phenyl-1,4-benzenediamine|Dtxsid7025895|101-54-2","logHenry":-6.97,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.657,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.743,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.569,"logWSol.Reference":"EPA-CCD-OPERA","MP":66.13,"MP.Reference":"EPA-CCD-OPERA","MW":184.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"15.59","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.1434","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"101-54-2"}
{"Compound":"\"4,4'-methylenebis(n,n-dimethylaniline)\"","CAS":"101-61-1","CAS.Checksum":true,"DTXSID":"DTXSID5020869","Formula":"C17H22N2","All.Compound.Names":"\"4,4'-methylenebis(n,n-dimethylaniline)\"|4,4'-methylenebis(n,n-dimethylaniline)|Dtxsid5020869|101-61-1","logHenry":-5.112,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.803,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.987,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.776,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.18,"MP.Reference":"EPA-CCD-OPERA","MW":254.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"18.85","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.001109","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"101-61-1"}
{"Compound":"\"4,4'-oxydianiline\"","CAS":"101-80-4","CAS.Checksum":true,"DTXSID":"DTXSID0021094","Formula":"C12H12N2O","All.Compound.Names":"\"4,4'-oxydianiline\"|4,4'-oxydianiline|Dtxsid0021094|101-80-4","logHenry":-7.328,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.364,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.998,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.712,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.1,"MP.Reference":"EPA-CCD-OPERA","MW":200.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.0096,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.3284","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"101-80-4"}
{"Compound":"2-benzylideneoctanal","CAS":"101-86-0","CAS.Checksum":true,"DTXSID":"DTXSID4026684","Formula":"C15H20O","All.Compound.Names":"2-benzylideneoctanal|2-(phenylmethylene)octanal|Dtxsid4026684","logHenry":-4.738,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.339,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.045,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.719,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.44,"MP.Reference":"EPA-CCD-OPERA","MW":216.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"14.36","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.009805","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"101-86-0"}
{"Compound":"\"1,3-diphenylguanidine\"","CAS":"102-06-7","CAS.Checksum":true,"DTXSID":"DTXSID3025178","Formula":"C13H13N3","All.Compound.Names":"\"1,3-diphenylguanidine\"|1,3-diphenylguanidine|Dtxsid3025178|102-06-7","logHenry":-8.43,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.959,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.368,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.322,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.1,"MP.Reference":"EPA-CCD-OPERA","MW":211.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"20.2,11.2,36.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.0144,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.7844","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"102-06-7"}
{"Compound":"N-ethyl-3-methylaniline","CAS":"102-27-2","CAS.Checksum":true,"DTXSID":"DTXSID4021848","Formula":"C9H13N","All.Compound.Names":"N-ethyl-3-methylaniline|Dtxsid4021848|102-27-2","logHenry":-5.235,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.42,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.972,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.177,"logWSol.Reference":"EPA-CCD-OPERA","MP":-35.56,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"13.12","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.1414","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"102-27-2"}
{"Compound":"\"heptachlor epoxide, isomer b\"","CAS":"1024-57-3","CAS.Checksum":true,"DTXSID":"DTXSID1024126","Formula":"C10H5Cl7O","All.Compound.Names":"\"heptachlor epoxide, isomer b\"|Heptachlor epoxide|Heptachlor epoxide, isomer b|Heptachlor epoxide b|Dtxsid1024126","logHenry":-4.68,"logHenry.Reference":"OPERA29","logP":4.98,"logP.Reference":"OPERA29","logWSol":-6.25,"logWSol.Reference":"OPERA29","MP":160,"MP.Reference":"OPERA29","MW":389.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.998","Human.Clint.pValue":0.9983,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.01068","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"1024-57-3"}
{"Compound":"Di(2-ethylhexyl)adipate","CAS":"103-23-1","CAS.Checksum":true,"DTXSID":"DTXSID0020606","Formula":"C22H42O4","All.Compound.Names":"Di(2-ethylhexyl)adipate|Di(2-ethylhexyl) adipate|Bis(2-ethylhexyl)hexanedioate|Dtxsid0020606","logHenry":-6.363,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.851,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.983,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.676,"logWSol.Reference":"EPA-CCD-OPERA","MP":-67.44,"MP.Reference":"EPA-CCD-OPERA","MW":370.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"13.56","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.03861","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"103-23-1"}
{"Compound":"Azelaic acid di(2-ethylhexyl) ester","CAS":"103-24-2","CAS.Checksum":true,"DTXSID":"DTXSID3026697","Formula":"C25H48O4","All.Compound.Names":"Azelaic acid di(2-ethylhexyl) ester|Bis(2-ethylhexyl) nonanedioate|Dtxsid3026697","logHenry":-6.895,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.993,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.763,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.325,"logWSol.Reference":"EPA-CCD-OPERA","MP":-76.66,"MP.Reference":"EPA-CCD-OPERA","MW":412.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.152","Human.Clint.pValue":0.002,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.03126","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"103-24-2"}
{"Compound":"Acetaminophen","CAS":"103-90-2","CAS.Checksum":true,"DTXSID":"DTXSID2020006","Formula":"C8H9NO2","All.Compound.Names":"Acetaminophen|Paracetamol|Paracetamol (acetaminophen)|103-90-2|Dtxsid2020006","logHenry":-8.241,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4621,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.495,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.03,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.8,"MP.Reference":"EPA-CCD-OPERA","MW":151.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.4","pKa_Donor.Reference":"Jones 2002","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"23.4,10.4,52.8","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"0.3598","Human.Clint.Reference":"Paini 2020","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.04,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.79,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.9398,0.8226,1","Human.Funbound.plasma.Reference":"Paini 2020","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Rat.Clint":"15.83","Rat.Clint.Reference":"Wood 2017","Rat.Foral":1,"Rat.Foral.Reference":"Naritomi 2003","Rat.Funbound.plasma":"0.82","Rat.Funbound.plasma.Reference":"Naritomi 2003","Rat.Rblood2plasma":1,"Rat.Rblood2plasma.Reference":"Naritomi 2003","Chemical.Class":"","_row":"103-90-2"}
{"Compound":"5-heptyldihydro-2(3h)-furanone","CAS":"104-67-6","CAS.Checksum":true,"DTXSID":"DTXSID4034287","Formula":"C11H20O2","All.Compound.Names":"5-heptyldihydro-2(3h)-furanone|Dtxsid4034287","logHenry":-5.821,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.445,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.274,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.723,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.307,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9.47,4.1,16.4,0.00206","Human.Clint.pValue":0.00206,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.069,0.0489,0.11","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"104-67-6"}
{"Compound":"Tamoxifen","CAS":"10540-29-1","CAS.Checksum":true,"DTXSID":"DTXSID1034187","Formula":"C26H29NO","All.Compound.Names":"Tamoxifen|Dtxsid1034187|10540-29-1","logHenry":-7.651,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.235,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.466,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.318,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.96,"MP.Reference":"EPA-CCD-OPERA","MW":371.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.993","Human.Clint.pValue":0.9928,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00165,0.000308,0.00714","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"40.3","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0094","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"10540-29-1"}
{"Compound":"Dibutyl hexanedioate","CAS":"105-99-7","CAS.Checksum":true,"DTXSID":"DTXSID2021866","Formula":"C14H26O4","All.Compound.Names":"Dibutyl hexanedioate|Dibutyl adipate|Dtxsid2021866","logHenry":-6.997,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.927,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.454,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.808,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.65,"MP.Reference":"EPA-CCD-OPERA","MW":258.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"14.03","Human.Clint.pValue":0.0238,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.5872","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"105-99-7"}
{"Compound":"Methyl 1h-benzimidazol-2-ylcarbamate","CAS":"10605-21-7","CAS.Checksum":true,"DTXSID":"DTXSID4024729","Formula":"C9H9N3O2","All.Compound.Names":"Methyl 1h-benzimidazol-2-ylcarbamate|Carbendazim|Dtxsid4024729|10605-21-7","logHenry":-8.853,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.519,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.896,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.097,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.8,"MP.Reference":"EPA-CCD-OPERA","MW":191.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.26","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"50.8,28.2,91.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"24","Human.Clint.pValue":0.0049,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.4872","Human.Funbound.plasma.Reference":"Wetmore 2015","Human.Rblood2plasma":0.9166,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"31.7","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.3805","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"10605-21-7"}
{"Compound":"4-methylphenol","CAS":"106-44-5","CAS.Checksum":true,"DTXSID":"DTXSID7021869","Formula":"C7H8O","All.Compound.Names":"4-methylphenol|P-cresol|Dtxsid7021869|106-44-5","logHenry":-6.006,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.42,"logMA.Reference":"Endo 2011","logP":1.94,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.108,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7035,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.26,"MP.Reference":"EPA-CCD-OPERA","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"39.66","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.3259","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"106-44-5"}
{"Compound":"\"1,4-dichlorobenzene\"","CAS":"106-46-7","CAS.Checksum":true,"DTXSID":"DTXSID1020431","Formula":"C6H4Cl2","All.Compound.Names":"\"1,4-dichlorobenzene\"|1,4-dichlorobenzene|Dtxsid1020431","logHenry":-2.618,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.57,"logMA.Reference":"Endo 2011","logP":3.441,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.003,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.249,"logWSol.Reference":"EPA-CCD-OPERA","MP":50.84,"MP.Reference":"EPA-CCD-OPERA","MW":147,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"130,38.5,1220,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.02291","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"106-46-7"}
{"Compound":"Dimethyl succinate","CAS":"106-65-0","CAS.Checksum":true,"DTXSID":"DTXSID5025152","Formula":"C6H10O4","All.Compound.Names":"Dimethyl succinate|Dtxsid5025152","logHenry":-4.935,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3505,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.518,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7626,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.34,"MP.Reference":"EPA-CCD-OPERA","MW":146.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"364.4","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.9999","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"106-65-0"}
{"Compound":"Tebuconazole","CAS":"107534-96-3","CAS.Checksum":true,"DTXSID":"DTXSID9032113","Formula":"C16H22ClN3O","All.Compound.Names":"Tebuconazole|Dtxsid9032113|107534-96-3","logHenry":-6.509,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.945,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.932,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.5,"MP.Reference":"EPA-CCD-OPERA","MW":307.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.89","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"36.8,20.4,66.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"5.278","Human.Clint.pValue":0.001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.06601","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"107534-96-3"}
{"Compound":"Resorcinol","CAS":"108-46-3","CAS.Checksum":true,"DTXSID":"DTXSID2021238","Formula":"C6H6O2","All.Compound.Names":"Resorcinol|Dtxsid2021238|108-46-3","logHenry":-7.264,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8006,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.788,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8037,"logWSol.Reference":"EPA-CCD-OPERA","MP":111.6,"MP.Reference":"EPA-CCD-OPERA","MW":110.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"14.48","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.7448","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"108-46-3"}
{"Compound":"Phenol","CAS":"108-95-2","CAS.Checksum":true,"DTXSID":"DTXSID5021124","Formula":"C6H6O","All.Compound.Names":"Phenol|Dtxsid5021124|108-95-2","logHenry":-6.473,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.95,"logMA.Reference":"Endo 2011","logP":1.462,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.334,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.03892,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.79,"MP.Reference":"EPA-CCD-OPERA","MW":94.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.496","Human.Clint.pValue":0.0022,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.6201","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"108-95-2"}
{"Compound":"Mepanipyrim","CAS":"110235-47-7","CAS.Checksum":true,"DTXSID":"DTXSID4042121","Formula":"C14H13N3","All.Compound.Names":"Mepanipyrim|Dtxsid4042121|110235-47-7","logHenry":-6.853,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.279,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.336,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.939,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.6,"MP.Reference":"EPA-CCD-OPERA","MW":223.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.24","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"47.6,26.5,85.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"12.42","Human.Clint.pValue":0.0513,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.03419","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"110235-47-7"}
{"Compound":"\"n,n'-methylenebis(acrylamide)\"","CAS":"110-26-9","CAS.Checksum":true,"DTXSID":"DTXSID8025595","Formula":"C7H10N2O2","All.Compound.Names":"\"n,n'-methylenebis(acrylamide)\"|N,n'-methylenebisacrylamide|N,n'-methylenebis(acrylamide)|Dtxsid8025595|110-26-9","logHenry":-9.368,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6668,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.609,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8658,"logWSol.Reference":"EPA-CCD-OPERA","MP":141,"MP.Reference":"EPA-CCD-OPERA","MW":154.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.954","Human.Clint.pValue":0.0697,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"110-26-9"}
{"Compound":"Triethylene glycol diacetate","CAS":"111-21-7","CAS.Checksum":true,"DTXSID":"DTXSID3026223","Formula":"C10H18O6","All.Compound.Names":"Triethylene glycol diacetate|Dtxsid3026223","logHenry":-7.686,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5404,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.082,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.903,"logWSol.Reference":"EPA-CCD-OPERA","MP":-49.88,"MP.Reference":"EPA-CCD-OPERA","MW":234.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"206,184,251,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.895,0.543,0.988","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"111-21-7"}
{"Compound":"Methyl laurate","CAS":"111-82-0","CAS.Checksum":true,"DTXSID":"DTXSID5026889","Formula":"C13H26O2","All.Compound.Names":"Methyl laurate|Methyl dodecanoate|Dtxsid5026889","logHenry":-3.821,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.41,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.493,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.693,"logWSol.Reference":"EPA-CCD-OPERA","MP":3.77,"MP.Reference":"EPA-CCD-OPERA","MW":214.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"445.2","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.03637","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"111-82-0"}
{"Compound":"Dimethyl glutarate","CAS":"1119-40-0","CAS.Checksum":true,"DTXSID":"DTXSID3025122","Formula":"C7H12O4","All.Compound.Names":"Dimethyl glutarate|Dtxsid3025122","logHenry":-4.943,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6217,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.9,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4318,"logWSol.Reference":"EPA-CCD-OPERA","MP":-42.12,"MP.Reference":"EPA-CCD-OPERA","MW":160.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"46.3","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.6989","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"1119-40-0"}
{"Compound":"2-[2-(2-ethoxyethoxy)ethoxy]ethanol","CAS":"112-50-5","CAS.Checksum":true,"DTXSID":"DTXSID3024368","Formula":"C8H18O4","All.Compound.Names":"2-[2-(2-ethoxyethoxy)ethoxy]ethanol|Dtxsid3024368|112-50-5","logHenry":-7.975,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.03197,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.458,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7495,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.88,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"32.8,18.2,58.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.5349,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"112-50-5"}
{"Compound":"Erythromycin","CAS":"114-07-8","CAS.Checksum":true,"DTXSID":"DTXSID4022991","Formula":"C37H67NO13","All.Compound.Names":"Erythromycin|114-07-8|Dtxsid4022991","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.06,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.473,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.428,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.9,"MP.Reference":"EPA-CCD-OPERA","MW":733.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.16","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.9","pKa_Donor.Reference":"Jones 2002","All.Species":"Human|Rat|Dog|Monkey","Dog.Foral":0.52,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.72,1.65,8.37","Human.Caco2.Pab.Reference":"Lanevskij,ChEMBL","Human.Clint":"4.04","Human.Clint.pValue":0.0683,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Fabs":0.5,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.91,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.77,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.35,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.5653","Human.Funbound.plasma.Reference":"Wetmore 2015","Monkey.Foral":0.019,"Monkey.Foral.Reference":"Musther 2014","Rat.Clint":"35.21","Rat.Clint.Reference":"Wood 2017","Rat.Foral":0.145,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.78","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"114-07-8"}
{"Compound":"Triphenyl phosphate","CAS":"115-86-6","CAS.Checksum":true,"DTXSID":"DTXSID1021952","Formula":"C18H15O4P","All.Compound.Names":"Triphenyl phosphate|Dtxsid1021952","logHenry":-5.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.589,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.208,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.232,"logWSol.Reference":"EPA-CCD-OPERA","MP":50.5,"MP.Reference":"EPA-CCD-OPERA","MW":326.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"5.33,2.96,9.58","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"26.44","Human.Clint.pValue":0.001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.002852","Human.Funbound.plasma.Reference":"Wetmore 2015","Rat.Clint":"126","Rat.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"115-86-6"}
{"Compound":"Di-n-octyl phthalate","CAS":"117-84-0","CAS.Checksum":true,"DTXSID":"DTXSID1021956","Formula":"C24H38O4","All.Compound.Names":"Di-n-octyl phthalate|Dioctyl phthalate|Dtxsid1021956","logHenry":-6.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.097,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.643,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.258,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.969,"MP.Reference":"EPA-CCD-OPERA","MW":390.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.8568,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.0233","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"117-84-0"}
{"Compound":"Benzophenone","CAS":"119-61-9","CAS.Checksum":true,"DTXSID":"DTXSID0021961","Formula":"C13H10O","All.Compound.Names":"Benzophenone|Dtxsid0021961","logHenry":-6.147,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.181,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.072,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.124,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.27,"MP.Reference":"EPA-CCD-OPERA","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9.134","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.06543","Human.Funbound.plasma.Reference":"Wetmore 2015","Rat.Clint":"56.9","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"119-61-9"}
{"Compound":"3,3'-dimethoxybenzidine","CAS":"119-90-4","CAS.Checksum":true,"DTXSID":"DTXSID3025091","Formula":"C14H16N2O2","All.Compound.Names":"3,3'-dimethoxybenzidine|C.i. disperse black 6|Dtxsid3025091|119-90-4","logHenry":-7.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.813,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.298,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.611,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.1,"MP.Reference":"EPA-CCD-OPERA","MW":244.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"45.7,25.4,82.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"18.05","Human.Clint.pValue":0.0971,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.3343","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"119-90-4"}
{"Compound":"O-tolidine","CAS":"119-93-7","CAS.Checksum":true,"DTXSID":"DTXSID5024059","Formula":"C14H16N2","All.Compound.Names":"O-tolidine|3,3'-dimethylbenzidine|Dtxsid5024059|119-93-7","logHenry":-6.972,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.34,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.68,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.213,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.1,"MP.Reference":"EPA-CCD-OPERA","MW":212.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.11","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"40.4,22.4,72.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.6631,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.1427","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"119-93-7"}
{"Compound":"Anthracene","CAS":"120-12-7","CAS.Checksum":true,"DTXSID":"DTXSID0023878","Formula":"C14H10","All.Compound.Names":"Anthracene|Dtxsid0023878","logHenry":-4.256,"logHenry.Reference":"EPA-CCD-OPERA","logMA":5.28,"logMA.Reference":"Endo 2011","logP":4.451,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.099,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.845,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.9,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"13.33","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.0252","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"120-12-7"}
{"Compound":"Ethylparaben","CAS":"120-47-8","CAS.Checksum":true,"DTXSID":"DTXSID9022528","Formula":"C9H10O3","All.Compound.Names":"Ethylparaben|Paraben|Dtxsid9022528|120-47-8","logHenry":-8.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.464,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.249,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.318,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.5,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"57.24","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.1057","Human.Funbound.plasma.Reference":"Wetmore 2015","Human.Rblood2plasma":0.9073,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"126","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.1275","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"120-47-8"}
{"Compound":"P-cresidine","CAS":"120-71-8","CAS.Checksum":true,"DTXSID":"DTXSID1020350","Formula":"C8H11NO","All.Compound.Names":"P-cresidine|2-methoxy-5-methylaniline|Dtxsid1020350|120-71-8","logHenry":-6.631,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.737,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.54,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.419,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.68,"MP.Reference":"EPA-CCD-OPERA","MW":137.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"43.7,24.3,78.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"19.53","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.4043","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"120-71-8"}
{"Compound":"2-tert-butyl-4-methoxy-phenol","CAS":"121-00-6","CAS.Checksum":true,"DTXSID":"DTXSID7040788","Formula":"C11H16O2","All.Compound.Names":"2-tert-butyl-4-methoxy-phenol|2-tert-butyl-4-methoxyphenol|Dtxsid7040788|121-00-6","logHenry":-6.324,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.202,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.576,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.263,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.54,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7.06","Human.Clint.pValue":0.0019,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.07217","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"121-00-6"}
{"Compound":"\"2,4-dinitrotoluene\"","CAS":"121-14-2","CAS.Checksum":true,"DTXSID":"DTXSID0020529","Formula":"C7H6N2O4","All.Compound.Names":"\"2,4-dinitrotoluene\"|2,4-dinitrotoluene|Dtxsid0020529","logHenry":-7.265,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.979,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.097,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.896,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.04,"MP.Reference":"EPA-CCD-OPERA","MW":182.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.2573,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.09602","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"121-14-2"}
{"Compound":"Candoxatril","CAS":"123122-55-4","CAS.Checksum":true,"DTXSID":"DTXSID6047286","Formula":"C29H41NO7","All.Compound.Names":"Candoxatril|Dtxsid6047286|123122-55-4","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.856,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.837,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.117,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.2,"MP.Reference":"EPA-CCD-OPERA","MW":515.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.92","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"2.33,1.3,4.19","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"9.898","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.2659","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"123122-55-4"}
{"Compound":"Triamcinolone","CAS":"124-94-7","CAS.Checksum":true,"DTXSID":"DTXSID1040742","Formula":"C21H27FO6","All.Compound.Names":"Triamcinolone|124-94-7|Dtxsid1040742","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.16,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.255,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.689,"logWSol.Reference":"EPA-CCD-OPERA","MP":269.9,"MP.Reference":"EPA-CCD-OPERA","MW":394.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.168,0.0416,0.682","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"2.492","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Foral":0.23,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.7348","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"124-94-7"}
{"Compound":"Tributyl phosphate","CAS":"126-73-8","CAS.Checksum":true,"DTXSID":"DTXSID3021986","Formula":"C12H27O4P","All.Compound.Names":"Tributyl phosphate|Dtxsid3021986","logHenry":-5.95,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.997,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.88,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.977,"logWSol.Reference":"EPA-CCD-OPERA","MP":-78.92,"MP.Reference":"EPA-CCD-OPERA","MW":266.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.2154,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.03481","Human.Funbound.plasma.Reference":"Wetmore 2015","Rat.Clint":"60.2","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0257","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"126-73-8"}
{"Compound":"Zamifenacin","CAS":"127308-82-1","CAS.Checksum":true,"DTXSID":"DTXSID9047257","Formula":"C27H29NO3","All.Compound.Names":"Zamifenacin|Dtxsid9047257|127308-82-1","logHenry":-7.034,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.742,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.941,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.191,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.5,"MP.Reference":"EPA-CCD-OPERA","MW":415.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"17.11","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.002114","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"127308-82-1"}
{"Compound":"\"3-buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-\"","CAS":"127-51-5","CAS.Checksum":true,"DTXSID":"DTXSID7027047","Formula":"C14H22O","All.Compound.Names":"\"3-buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-\"|Alpha-isomethylionone|3-buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-|Dtxsid7027047","logHenry":-3.488,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.382,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.523,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.979,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.54,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10.8","Human.Clint.pValue":0.0123,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.006334","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"127-51-5"}
{"Compound":"\"2,6-di-tert-butylphenol\"","CAS":"128-39-2","CAS.Checksum":true,"DTXSID":"DTXSID6027052","Formula":"C14H22O","All.Compound.Names":"\"2,6-di-tert-butylphenol\"|2,6-di-tert-butylphenol|Dtxsid6027052|128-39-2","logHenry":-5.021,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.92,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.753,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.918,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.93,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.152,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01953","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"128-39-2"}
{"Compound":"Pyrene","CAS":"129-00-0","CAS.Checksum":true,"DTXSID":"DTXSID3024289","Formula":"C16H10","All.Compound.Names":"Pyrene|Dtxsid3024289","logHenry":-4.925,"logHenry.Reference":"EPA-CCD-OPERA","logMA":5.74,"logMA.Reference":"Endo 2011","logP":4.883,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.972,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.141,"logWSol.Reference":"EPA-CCD-OPERA","MP":152,"MP.Reference":"EPA-CCD-OPERA","MW":202.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6.18","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.02415","Human.Funbound.plasma.Reference":"Wetmore 2015","Human.Rblood2plasma":0.7535,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"18.85","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.05707","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"129-00-0"}
{"Compound":"Diallyl phthalate","CAS":"131-17-9","CAS.Checksum":true,"DTXSID":"DTXSID7020392","Formula":"C14H14O4","All.Compound.Names":"Diallyl phthalate|Dtxsid7020392","logHenry":-7.018,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.216,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.129,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.39,"MP.Reference":"EPA-CCD-OPERA","MW":246.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"8.216","Human.Clint.pValue":0.0879,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.9621","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"131-17-9"}
{"Compound":"Dibenzofuran","CAS":"132-64-9","CAS.Checksum":true,"DTXSID":"DTXSID2021993","Formula":"C12H8O","All.Compound.Names":"Dibenzofuran|Dtxsid2021993|132-64-9","logHenry":-3.951,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.121,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.783,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.685,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.3,"MP.Reference":"EPA-CCD-OPERA","MW":168.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"8.3","Human.Clint.pValue":0.0042,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2015","Rat.Clint":"102.9","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.012","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"132-64-9"}
{"Compound":"Rifampicin","CAS":"13292-46-1","CAS.Checksum":true,"DTXSID":"DTXSID6021244","Formula":"C43H58N4O12","All.Compound.Names":"Rifampicin|Rifampin|13292-46-1|Dtxsid6021244","logHenry":-10.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.085,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.487,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.77,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.3,"MP.Reference":"EPA-CCD-OPERA","MW":823,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.91","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.90,8.25,9.87","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.884,0.218,3.58","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.Reference":"Paini 2020","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.99,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.94,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.7,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.04344,0.04059,0.04629","Human.Funbound.plasma.Reference":"Paini 2020","Rat.Foral":0.89,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"13292-46-1"}
{"Compound":"Flutamide","CAS":"13311-84-7","CAS.Checksum":true,"DTXSID":"DTXSID7032004","Formula":"C11H11F3N2O3","All.Compound.Names":"Flutamide|13311-84-7|Dtxsid7032004","logHenry":-8.095,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.35,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.58,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.05,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.8,"MP.Reference":"EPA-CCD-OPERA","MW":276.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"54.4,30.3,97.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"30.38","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.03758","Human.Funbound.plasma.Reference":"Wetmore 2015","Human.Rblood2plasma":0.8742,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"13311-84-7"}
{"Compound":"\"tris(1,3-dichloro-2-propyl) phosphate (tdcpp)\"","CAS":"13674-87-8","CAS.Checksum":true,"DTXSID":"DTXSID9026261","Formula":"C9H15Cl6O4P","All.Compound.Names":"\"tris(1,3-dichloro-2-propyl) phosphate (tdcpp)\"|Tris(1,3-dichloro-2-propyl)phosphate|Tris(1,3-dichloro-2-propyl) phosphate (tdcpp)|Tris(1,3-dichloro-2-propyl) phosphate|Dtxsid9026261","logHenry":-6.038,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.65,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.618,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.782,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.92,"MP.Reference":"EPA-CCD-OPERA","MW":430.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"31,17.2,55.8","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"5.092","Human.Clint.pValue":0.0134,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01078","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"13674-87-8"}
{"Compound":"Volinanserin","CAS":"139290-65-6","CAS.Checksum":true,"DTXSID":"DTXSID6047363","Formula":"C22H28FNO3","All.Compound.Names":"Volinanserin|Dtxsid6047363|139290-65-6","logHenry":-6.635,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.106,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.38,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.067,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.3,"MP.Reference":"EPA-CCD-OPERA","MW":373.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.68","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.95","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.464","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.5097","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"139290-65-6"}
{"Compound":"Tannic acid","CAS":"1401-55-4","CAS.Checksum":true,"DTXSID":"DTXSID2026076","All.Compound.Names":"Tannic acid|Uf data for above","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"1401-55-4"}
{"Compound":"\"4-(1,1,3,3-tetramethylbutyl)phenol\"","CAS":"140-66-9","CAS.Checksum":true,"DTXSID":"DTXSID9022360","Formula":"C14H22O","All.Compound.Names":"\"4-(1,1,3,3-tetramethylbutyl)phenol\"|4-(1,1,3,3-tetramethylbutyl)phenol|4-tert-octylphenol|Dtxsid9022360|140-66-9","logHenry":-5.102,"logHenry.Reference":"EPA-CCD-OPERA","logMA":5.61,"logMA.Reference":"Endo 2011","logP":4.867,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.819,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.058,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.23,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"26.98","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01902","Human.Funbound.plasma.Reference":"Wetmore 2015","Rat.Clint":"169.2","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"140-66-9"}
{"Compound":"Diisopropyl methylphosphonate (dimp)","CAS":"1445-75-6","CAS.Checksum":true,"DTXSID":"DTXSID5024051","Formula":"C7H17O3P","All.Compound.Names":"Diisopropyl methylphosphonate (dimp)|Diisopropyl methylphosphonate|Bis(1-methylethyl) methylphosphonate|Dtxsid5024051","logHenry":-6.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.034,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.747,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.065,"logWSol.Reference":"EPA-CCD-OPERA","MP":-66.84,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"47.9,26.7,86.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.0005,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.9727","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"1445-75-6"}
{"Compound":"\"(2s,3s)-n-[2-methoxy-5-(trifluoromethoxy)benzyl]-2-phenylpiperidin-3-amine\"","CAS":"145742-28-5","CAS.Checksum":true,"DTXSID":"DTXSID9047251","Formula":"C20H23F3N2O2","All.Compound.Names":"\"(2s,3s)-n-[2-methoxy-5-(trifluoromethoxy)benzyl]-2-phenylpiperidin-3-amine\"|(2s,3s)-n-[2-methoxy-5-(trifluoromethoxy)benzyl]-2-phenylpiperidin-3-amine|Cp-122721|Dtxsid9047251|145742-28-5","logHenry":-7.308,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.031,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.239,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.172,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.4,"MP.Reference":"EPA-CCD-OPERA","MW":380.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"26.3,14.6,47.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"6.188","Human.Clint.pValue":0.0915,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.07996","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"145742-28-5"}
{"Compound":"Diphenhydramine hydrochloride","CAS":"147-24-0","CAS.Checksum":true,"DTXSID":"DTXSID4020537","Formula":"C17H22ClNO","All.Compound.Names":"Diphenhydramine hydrochloride|Dtxsid4020537|147-24-0","logHenry":-5.32,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3888,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.142,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.18,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.2,"MP.Reference":"EPA-CCD-OPERA","MW":291.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.78","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.1683,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.4131","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"147-24-0"}
{"Compound":"8-hydroxyquinoline","CAS":"148-24-3","CAS.Checksum":true,"DTXSID":"DTXSID5020730","Formula":"C9H7NO","All.Compound.Names":"8-hydroxyquinoline|Dtxsid5020730|148-24-3","logHenry":-6.843,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.019,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.379,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.403,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.59,"MP.Reference":"EPA-CCD-OPERA","MW":145.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.88","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"35.2,19.5,63.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"69.68","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.1184","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"148-24-3"}
{"Compound":"Monuron","CAS":"150-68-5","CAS.Checksum":true,"DTXSID":"DTXSID0020311","Formula":"C9H11ClN2O","All.Compound.Names":"Monuron|Dtxsid0020311|150-68-5","logHenry":-8.785,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.941,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.36,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.905,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.4,"MP.Reference":"EPA-CCD-OPERA","MW":198.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"29.1,16.2,52.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"3.086","Human.Clint.pValue":0.0271,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.4551","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"150-68-5"}
{"Compound":"Benodanil","CAS":"15310-01-7","CAS.Checksum":true,"DTXSID":"DTXSID7041623","Formula":"C13H10INO","All.Compound.Names":"Benodanil|Dtxsid7041623|15310-01-7","logHenry":-9.824,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.855,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.323,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.208,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.9,"MP.Reference":"EPA-CCD-OPERA","MW":323.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"37.9,21.1,68.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"21.4","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.07513","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"15310-01-7"}
{"Compound":"Carbofuran","CAS":"1563-66-2","CAS.Checksum":true,"DTXSID":"DTXSID9020249","Formula":"C12H15NO3","All.Compound.Names":"Carbofuran|Dtxsid9020249|1563-66-2","logHenry":-8.561,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.974,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.063,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.758,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.9,"MP.Reference":"EPA-CCD-OPERA","MW":221.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.0063,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.4213","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"1563-66-2"}
{"Compound":"4-octylphenol","CAS":"1806-26-4","CAS.Checksum":true,"DTXSID":"DTXSID9022312","Formula":"C14H22O","All.Compound.Names":"4-octylphenol|Dtxsid9022312|1806-26-4","logHenry":-4.986,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.187,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.606,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.069,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.05,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"15.65","Human.Clint.pValue":0.0002,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"1806-26-4"}
{"Compound":"2-hydroxy-4-(octyloxy)benzophenone","CAS":"1843-05-6","CAS.Checksum":true,"DTXSID":"DTXSID9027441","Formula":"C21H26O3","All.Compound.Names":"2-hydroxy-4-(octyloxy)benzophenone|Octabenzone|Dtxsid9027441|1843-05-6","logHenry":-7.993,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.395,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.179,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.62,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.55,"MP.Reference":"EPA-CCD-OPERA","MW":326.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"807,124,1310,0.0118","Human.Clint.pValue":0.01182,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"1.37e-08,1.74e-13,0.00111","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1843-05-6"}
{"Compound":"Chlorthal-dimethyl","CAS":"1861-32-1","CAS.Checksum":true,"DTXSID":"DTXSID0024000","Formula":"C10H6Cl4O4","All.Compound.Names":"Chlorthal-dimethyl|Dtxsid0024000","logHenry":-7.768,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.278,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.693,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.944,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.7,"MP.Reference":"EPA-CCD-OPERA","MW":332,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"38.62","Human.Clint.pValue":0.0004,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01666","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"1861-32-1"}
{"Compound":"Vernolate","CAS":"1929-77-7","CAS.Checksum":true,"DTXSID":"DTXSID7024376","Formula":"C10H21NOS","All.Compound.Names":"Vernolate|Dtxsid7024376|1929-77-7","logHenry":-6.257,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.839,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.579,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.34,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.5,"MP.Reference":"EPA-CCD-OPERA","MW":203.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"25.1","Human.Clint.pValue":0.0003,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01906","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"1929-77-7"}
{"Compound":"Oxytetracycline hydrochloride","CAS":"2058-46-0","CAS.Checksum":true,"DTXSID":"DTXSID5021097","Formula":"C22H25ClN2O9","All.Compound.Names":"Oxytetracycline hydrochloride|Dtxsid5021097|2058-46-0","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.034,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.53,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.141,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.7,"MP.Reference":"EPA-CCD-OPERA","MW":496.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.19","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.17,8.55;11.56","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.5447,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.6283","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"2058-46-0"}
{"Compound":"Perfluoroundecanoic acid","CAS":"2058-94-8","CAS.Checksum":true,"DTXSID":"DTXSID8047553","Formula":"C11HF21O2","All.Compound.Names":"Perfluoroundecanoic acid|Dtxsid8047553|2058-94-8","logHenry":-9.477,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.003,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6936,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.785,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.52,"MP.Reference":"EPA-CCD-OPERA","MW":564.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.6959,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"8.05e-09,1.77e-13,0.000588","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"PFAS","_row":"2058-94-8"}
{"Compound":"Benzo[b]fluoranthene","CAS":"205-99-2","CAS.Checksum":true,"DTXSID":"DTXSID0023907","Formula":"C20H12","All.Compound.Names":"Benzo[b]fluoranthene|Benzo(b)fluoranthene|Dtxsid0023907","logHenry":-4.794,"logHenry.Reference":"EPA-CCD-OPERA","logMA":7.21,"logMA.Reference":"Endo 2011","logP":5.779,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.859,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.075,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.2,"MP.Reference":"EPA-CCD-OPERA","MW":252.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.564","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01059","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"205-99-2"}
{"Compound":"Fluoranthene","CAS":"206-44-0","CAS.Checksum":true,"DTXSID":"DTXSID3024104","Formula":"C16H10","All.Compound.Names":"Fluoranthene|Dtxsid3024104","logHenry":-5.05,"logHenry.Reference":"EPA-CCD-OPERA","logMA":5.57,"logMA.Reference":"Endo 2011","logP":5.16,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.695,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.947,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.1,"MP.Reference":"EPA-CCD-OPERA","MW":202.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"8.064","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01409","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"206-44-0"}
{"Compound":"Acenaphthylene","CAS":"208-96-8","CAS.Checksum":true,"DTXSID":"DTXSID3023845","Formula":"C12H8","All.Compound.Names":"Acenaphthylene|Dtxsid3023845","logHenry":-3.943,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.941,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.621,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.969,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.45,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"12.38","Human.Clint.pValue":0.0078,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01116","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"208-96-8"}
{"Compound":"O-ethyl o-(p-nitrophenyl) phenylphosphonothioate","CAS":"2104-64-5","CAS.Checksum":true,"DTXSID":"DTXSID7022174","Formula":"C14H14NO4PS","All.Compound.Names":"O-ethyl o-(p-nitrophenyl) phenylphosphonothioate|Epn|Dtxsid7022174|O-ethyl o-(p-nitrophenyl phenyl)phosphonothioate|2104-64-5","logHenry":-5.884,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.776,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.645,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.282,"logWSol.Reference":"EPA-CCD-OPERA","MP":36.11,"MP.Reference":"EPA-CCD-OPERA","MW":323.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"8.16","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01016","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"2104-64-5"}
{"Compound":"\"3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl methacrylate\"","CAS":"2144-53-8","CAS.Checksum":true,"DTXSID":"DTXSID3047558","Formula":"C12H9F13O2","All.Compound.Names":"\"3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl methacrylate\"|Tridecafluorohexylethyl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl methacrylate|2-(perfluorohexyl)ethyl methacrylate|Dtxsid3047558","logHenry":-5.289,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.283,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2763,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.069,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.903,"MP.Reference":"EPA-CCD-OPERA","MW":432.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"196.9","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.02654","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"PFAS","_row":"2144-53-8"}
{"Compound":"\"1,5-diaminonaphthalene\"","CAS":"2243-62-1","CAS.Checksum":true,"DTXSID":"DTXSID3020916","Formula":"C10H10N2","All.Compound.Names":"\"1,5-diaminonaphthalene\"|1,5-diaminonaphthalene|1,5-naphthalenediamine|Dtxsid3020916|2243-62-1","logHenry":-7.168,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8928,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.227,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.618,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.4,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"44.4,24.7,79.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.0163,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.6333","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"2243-62-1"}
{"Compound":"Mirex","CAS":"2385-85-5","CAS.Checksum":true,"DTXSID":"DTXSID7020895","Formula":"C10Cl12","All.Compound.Names":"Mirex|Dtxsid7020895","logHenry":-3.091,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.889,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.826,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.81,"logWSol.Reference":"EPA-CCD-OPERA","MP":313.2,"MP.Reference":"EPA-CCD-OPERA","MW":545.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.2951,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01508","Human.Funbound.plasma.Reference":"Wetmore 2015","Rat.Clint":"79.7","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"2385-85-5"}
{"Compound":"Tridemorph","CAS":"24602-86-6","CAS.Checksum":true,"DTXSID":"DTXSID3041376","Formula":"C19H39NO","All.Compound.Names":"Tridemorph|2,6-dimethyl-4-tridecylmorpholine|Dtxsid3041376|24602-86-6","logHenry":-6.186,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.595,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.246,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.835,"logWSol.Reference":"EPA-CCD-OPERA","MP":-16.14,"MP.Reference":"EPA-CCD-OPERA","MW":297.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"12.91","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.002679","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"24602-86-6"}
{"Compound":"Benzyl hydrogen phthalate","CAS":"2528-16-7","CAS.Checksum":true,"DTXSID":"DTXSID9043938","Formula":"C15H12O4","All.Compound.Names":"Benzyl hydrogen phthalate|Monobenzyl phthalate|Dtxsid9043938|2528-16-7","logHenry":-8.987,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.93,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.305,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.536,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.5,"MP.Reference":"EPA-CCD-OPERA","MW":256.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"6.21,3.45,11.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.0506,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.0352","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"2528-16-7"}
{"Compound":"\"1,2-benzisothiazolin-3-one\"","CAS":"2634-33-5","CAS.Checksum":true,"DTXSID":"DTXSID5032523","Formula":"C7H5NOS","All.Compound.Names":"\"1,2-benzisothiazolin-3-one\"|1,2-benzisothiazolin-3-one|Dtxsid5032523|2634-33-5","logHenry":-7.783,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8033,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.559,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.474,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.64,"MP.Reference":"EPA-CCD-OPERA","MW":151.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"34.74","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"2634-33-5"}
{"Compound":"Octhilinone","CAS":"26530-20-1","CAS.Checksum":true,"DTXSID":"DTXSID1025805","Formula":"C11H19NOS","All.Compound.Names":"Octhilinone|Dtxsid1025805|26530-20-1","logHenry":-4.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.453,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.853,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.636,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.72,"MP.Reference":"EPA-CCD-OPERA","MW":213.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"12.72","Human.Clint.pValue":0.0481,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.02822","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"26530-20-1"}
{"Compound":"Heptadecafluorooctanesulfonic acid potassium salt","CAS":"2795-39-3","CAS.Checksum":true,"DTXSID":"DTXSID8037706","Formula":"C8F17KO3S","All.Compound.Names":"Heptadecafluorooctanesulfonic acid potassium salt|Potassium perfluorooctanesulfonate|Dtxsid8037706|2795-39-3","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.079,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.827,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.088,"logWSol.Reference":"EPA-CCD-OPERA","MP":399.8,"MP.Reference":"EPA-CCD-OPERA","MW":538.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.5082,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.00363","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"PFAS","_row":"2795-39-3"}
{"Compound":"Chlorpyrifos","CAS":"2921-88-2","CAS.Checksum":true,"DTXSID":"DTXSID4020458","Formula":"C9H11Cl3NO3PS","All.Compound.Names":"Chlorpyrifos|Dtxsid4020458|2921-88-2","logHenry":-5.535,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.959,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.609,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.482,"logWSol.Reference":"EPA-CCD-OPERA","MP":42,"MP.Reference":"EPA-CCD-OPERA","MW":350.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.6","Human.Clint.Reference":"Tonnelier 2012","Human.Funbound.plasma":"0.007932","Human.Funbound.plasma.Reference":"Wetmore 2015","Human.Rblood2plasma":0.7333,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"184","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0179","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"2921-88-2"}
{"Compound":"Potassium nonafluoro-1-butanesulfonate","CAS":"29420-49-3","CAS.Checksum":true,"DTXSID":"DTXSID3037707","Formula":"C4F9KO3S","All.Compound.Names":"Potassium nonafluoro-1-butanesulfonate|Pfbs-k|Potassium perfluorobutanesulfonate|Dtxsid3037707|29420-49-3","logHenry":-9.53,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.26,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.904,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.14,"logWSol.Reference":"EPA-CCD-OPERA","MP":188,"MP.Reference":"EPA-CCD-OPERA","MW":338.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.152","Human.Clint.pValue":0.0774,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01933","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"PFAS","_row":"29420-49-3"}
{"Compound":"Phorate","CAS":"298-02-2","CAS.Checksum":true,"DTXSID":"DTXSID4032459","Formula":"C7H17O2PS3","All.Compound.Names":"Phorate|Dtxsid4032459","logHenry":-5.8,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.693,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.17,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.872,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.8,"MP.Reference":"EPA-CCD-OPERA","MW":260.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.2218,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.0129","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"298-02-2"}
{"Compound":"Carbamazepine","CAS":"298-46-4","CAS.Checksum":true,"DTXSID":"DTXSID4022731","Formula":"C15H12N2O","All.Compound.Names":"Carbamazepine|298-46-4|Dtxsid4022731","logHenry":-9.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.449,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.556,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.309,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.2,"MP.Reference":"EPA-CCD-OPERA","MW":236.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"39.8,22.2,71.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"2.375","Human.Clint.Reference":"Wood 2017","Human.Foral":0.73,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.5141","Human.Funbound.plasma.Reference":"Wetmore 2015","Human.Rblood2plasma":1.06,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Funbound.plasma":"0.31","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1.37,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"298-46-4"}
{"Compound":"Azidothymidine","CAS":"30516-87-1","CAS.Checksum":true,"DTXSID":"DTXSID8020127","Formula":"C10H13N5O4","All.Compound.Names":"Azidothymidine|Azido-3'-deoxythymidine|Zidovudine|3'-azido-3'-deoxythymidine|30516-87-1|Dtxsid8020127","logHenry":-9.053,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.9,"logMA.Reference":"Endo 2011","logP":0.04963,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.987,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.666,"logWSol.Reference":"EPA-CCD-OPERA","MP":283.9,"MP.Reference":"EPA-CCD-OPERA","MW":267.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"4.3,2.39,7.73","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"2.414","Human.Clint.Reference":"Wood 2017","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.914","Human.Funbound.plasma.Reference":"Wetmore 2015","Human.Rblood2plasma":0.98,"Human.Rblood2plasma.Reference":"Naritomi 2003","Rat.Clint":"2.917","Rat.Clint.Reference":"Wood 2017","Rat.Foral":1,"Rat.Foral.Reference":"Naritomi 2003","Rat.Funbound.plasma":"0.786","Rat.Funbound.plasma.Reference":"Naritomi 2003","Rat.Rblood2plasma":1,"Rat.Rblood2plasma.Reference":"Naritomi 2003","Chemical.Class":"","_row":"30516-87-1"}
{"Compound":"Perfluorohexanoic acid","CAS":"307-24-4","CAS.Checksum":true,"DTXSID":"DTXSID3031862","Formula":"C6HF11O2","All.Compound.Names":"Perfluorohexanoic acid|Pfhxa|Dtxsid3031862|307-24-4","logHenry":-9.628,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.85,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9768,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.041,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.76,"MP.Reference":"EPA-CCD-OPERA","MW":314.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.0006,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01676","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"PFAS","_row":"307-24-4"}
{"Compound":"Aldrin","CAS":"309-00-2","CAS.Checksum":true,"DTXSID":"DTXSID8020040","Formula":"C12H8Cl6","All.Compound.Names":"Aldrin|Dtxsid8020040","logHenry":-4.355,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.497,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.164,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.138,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.5,"MP.Reference":"EPA-CCD-OPERA","MW":364.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.4657,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.0134","Human.Funbound.plasma.Reference":"Wetmore 2015","Rat.Clint":"31.4","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"309-00-2"}
{"Compound":"Octrizole","CAS":"3147-75-9","CAS.Checksum":true,"DTXSID":"DTXSID9027522","Formula":"C20H25N3O","All.Compound.Names":"Octrizole|Dtxsid9027522|3147-75-9","logHenry":-7.28,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.018,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.799,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.272,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.9,"MP.Reference":"EPA-CCD-OPERA","MW":323.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.95","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"8.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.87,2.63,10.7,0.00188","Human.Clint.pValue":0.00188,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0223,0.0124,0.0398","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"3147-75-9"}
{"Compound":"Perfluorodecanoic acid","CAS":"335-76-2","CAS.Checksum":true,"DTXSID":"DTXSID3031860","Formula":"C10HF19O2","All.Compound.Names":"Perfluorodecanoic acid|Pfda|Dtxsid3031860|335-76-2","logHenry":-9.824,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.151,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.131,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.648,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.95,"MP.Reference":"EPA-CCD-OPERA","MW":514.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.2875,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.00284,0.00226,0.00675","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"PFAS","_row":"335-76-2"}
{"Compound":"\"propanol, 1 (or 2)-(2-methoxymethylethyoxy)-\"","CAS":"34590-94-8","CAS.Checksum":true,"DTXSID":"DTXSID0027983","Formula":"C7H16O3","All.Compound.Names":"\"propanol, 1 (or 2)-(2-methoxymethylethyoxy)-\"|Propanol, 1 (or 2)-(2-methoxymethylethyoxy)-|Propanol, 1(or 2)-(2-methoxymethylethoxy)-|Dipropylene glycol monomethyl ether|34590-94-8","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.49","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.1875,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.8901","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"34590-94-8"}
{"Compound":"Butam","CAS":"35256-85-0","CAS.Checksum":true,"DTXSID":"DTXSID5041691","Formula":"C15H23NO","All.Compound.Names":"Butam|Dtxsid5041691|35256-85-0","logHenry":-7.549,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.001,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.088,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.471,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.07,"MP.Reference":"EPA-CCD-OPERA","MW":233.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"34.6,19.2,62.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"9.846","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.2267","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"35256-85-0"}
{"Compound":"3-phenoxybenzoic acid","CAS":"3739-38-6","CAS.Checksum":true,"DTXSID":"DTXSID1038321","Formula":"C13H10O3","All.Compound.Names":"3-phenoxybenzoic acid|Dtxsid1038321|3739-38-6","logHenry":-8.927,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.906,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.001,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.099,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.4,"MP.Reference":"EPA-CCD-OPERA","MW":214.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"46.6,25.9,83.8","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.998","Human.Clint.pValue":0.9981,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00716,0.00372,0.0188","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"3739-38-6"}
{"Compound":"Perfluoroheptanoic acid","CAS":"375-85-9","CAS.Checksum":true,"DTXSID":"DTXSID1037303","Formula":"C7HF13O2","All.Compound.Names":"Perfluoroheptanoic acid|Dtxsid1037303|375-85-9","logHenry":-9.679,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.059,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.027,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4956,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.26,"MP.Reference":"EPA-CCD-OPERA","MW":364.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.4,0.78,2.52","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.0923,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.00164","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"PFAS","_row":"375-85-9"}
{"Compound":"Perfluorononanoic acid","CAS":"375-95-1","CAS.Checksum":true,"DTXSID":"DTXSID8031863","Formula":"C9HF17O2","All.Compound.Names":"Perfluorononanoic acid|Pfna|Dtxsid8031863|375-95-1","logHenry":-8.928,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.538,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.662,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.55,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.51,"MP.Reference":"EPA-CCD-OPERA","MW":464.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"6.23,3.46,11.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.2073,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.000992","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"PFAS","_row":"375-95-1"}
{"Compound":"Pentadecafluorooctanoic acid ammonium salt","CAS":"3825-26-1","CAS.Checksum":true,"DTXSID":"DTXSID8037708","Formula":"C8H4F15NO2","All.Compound.Names":"Pentadecafluorooctanoic acid ammonium salt|Perfluorooctanoic acid|Pfoa, ammonium salt|Ammonium perfluorooctanoate|Dtxsid8037708|3825-26-1","logHenry":-9.717,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.89,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2659,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.479,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.8,"MP.Reference":"EPA-CCD-OPERA","MW":431.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.86,2.15,6.94","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.5205,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.00363","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"PFAS","_row":"3825-26-1"}
{"Compound":"Potassium perfluorohexanesulfonate","CAS":"3871-99-6","CAS.Checksum":true,"DTXSID":"DTXSID3037709","Formula":"C6F13KO3S","All.Compound.Names":"Potassium perfluorohexanesulfonate|Pfhs-k|Dtxsid3037709|3871-99-6","logHenry":-9.713,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3976,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.877,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.215,"logWSol.Reference":"EPA-CCD-OPERA","MP":231.4,"MP.Reference":"EPA-CCD-OPERA","MW":438.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.5444,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.001342","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"PFAS","_row":"3871-99-6"}
{"Compound":"2-chloro-2'-deoxyadenosine","CAS":"4291-63-8","CAS.Checksum":true,"DTXSID":"DTXSID8022828","Formula":"C10H12ClN5O3","All.Compound.Names":"2-chloro-2'-deoxyadenosine|Cladribine|4291-63-8|Dtxsid8022828","logHenry":-8.077,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.01732,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.247,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.66,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.7,"MP.Reference":"EPA-CCD-OPERA","MW":285.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.51","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.89,14.79","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"6,3.34,10.8","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.5643,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Foral":0.45,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.9848","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"4291-63-8"}
{"Compound":"Genistein","CAS":"446-72-0","CAS.Checksum":true,"DTXSID":"DTXSID5022308","Formula":"C15H10O5","All.Compound.Names":"Genistein|Dtxsid5022308|446-72-0","logHenry":-9.668,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.962,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.284,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.903,"logWSol.Reference":"EPA-CCD-OPERA","MP":294.5,"MP.Reference":"EPA-CCD-OPERA","MW":270.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"18.69","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.02426","Human.Funbound.plasma.Reference":"Wetmore 2015","Human.Rblood2plasma":0.6718,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"68","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0085","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"446-72-0"}
{"Compound":"9-phenanthrol","CAS":"484-17-3","CAS.Checksum":true,"DTXSID":"DTXSID9047592","Formula":"C14H10O","All.Compound.Names":"9-phenanthrol|Dtxsid9047592|484-17-3","logHenry":-7.252,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.911,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.892,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.654,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.4,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"20.98","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.005435","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"484-17-3"}
{"Compound":"\"1,5,9-cyclododecatriene\"","CAS":"4904-61-4","CAS.Checksum":true,"DTXSID":"DTXSID8027581","Formula":"C12H18","All.Compound.Names":"\"1,5,9-cyclododecatriene\"|1,5,9-cyclododecatriene|Dtxsid8027581","logHenry":-1.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.5,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2499,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.106,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.15,"MP.Reference":"EPA-CCD-OPERA","MW":162.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"17.28","Human.Clint.pValue":0.0383,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.04143","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"4904-61-4"}
{"Compound":"\"p,p'-ddt\"","CAS":"50-29-3","CAS.Checksum":true,"DTXSID":"DTXSID4020375","Formula":"C14H9Cl5","All.Compound.Names":"\"p,p'-ddt\"|Ddt|P,p'-ddt|Dtxsid4020375","logHenry":-5.079,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.91,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.657,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.712,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.4,"MP.Reference":"EPA-CCD-OPERA","MW":354.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"12.5,5.43,18.8,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"3.6e-08,1.8e-13,0.00876","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"50-29-3"}
{"Compound":"Reserpine","CAS":"50-55-5","CAS.Checksum":true,"DTXSID":"DTXSID7021237","Formula":"C33H40N2O9","All.Compound.Names":"Reserpine|50-55-5|Dtxsid7021237","logHenry":-7.895,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.57,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.998,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.922,"logWSol.Reference":"EPA-CCD-OPERA","MP":264.4,"MP.Reference":"EPA-CCD-OPERA","MW":608.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.3","pKa_Accept.Reference":"Honda 2019","pKa_Donor":"10.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"13,7.24,23.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"12.25","Human.Clint.pValue":0.0833,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.005994","Human.Funbound.plasma.Reference":"Wetmore 2015","Rat.Clint":"10.4","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0143","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"50-55-5"}
{"Compound":"Pirinixic acid","CAS":"50892-23-4","CAS.Checksum":true,"DTXSID":"DTXSID4020290","Formula":"C14H14ClN3O2S","All.Compound.Names":"Pirinixic acid|[4-chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid|Dtxsid4020290|50892-23-4","logHenry":-9.849,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.067,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.411,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.49,"logWSol.Reference":"EPA-CCD-OPERA","MP":216,"MP.Reference":"EPA-CCD-OPERA","MW":323.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.2","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"6.14,3.41,11","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"7.51","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.005454","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"50892-23-4"}
{"Compound":"\"2,4-dinitrophenol\"","CAS":"51-28-5","CAS.Checksum":true,"DTXSID":"DTXSID0020523","Formula":"C6H4N2O5","All.Compound.Names":"\"2,4-dinitrophenol\"|2,4-dinitrophenol|Dtxsid0020523|51-28-5","logHenry":-7.064,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.7,"logMA.Reference":"Endo 2011","logP":1.672,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.665,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.598,"logWSol.Reference":"EPA-CCD-OPERA","MP":115.4,"MP.Reference":"EPA-CCD-OPERA","MW":184.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"60.1,33.4,108","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.7539,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.02723","Human.Funbound.plasma.Reference":"Wetmore 2015","Rat.Clint":"3.5","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.031","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"51-28-5"}
{"Compound":"6-propyl-2-thiouracil","CAS":"51-52-5","CAS.Checksum":true,"DTXSID":"DTXSID5021209","Formula":"C7H10N2OS","All.Compound.Names":"6-propyl-2-thiouracil|Propylthiouracil|51-52-5|Dtxsid5021209","logHenry":-7.572,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3859,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.735,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.151,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.9,"MP.Reference":"EPA-CCD-OPERA","MW":170.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.26","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.75,13.93","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Dog","Dog.Foral":0.88,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.323","Human.Clint.pValue":0.0344,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.97,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.87,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.85,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.4736","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"51-52-5"}
{"Compound":"\"n-[(3r)-1-azabicyclo[2.2.2]oct-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide\"","CAS":"527680-56-4","CAS.Checksum":true,"DTXSID":"DTXSID1047285","Formula":"C16H20N2O3","All.Compound.Names":"\"n-[(3r)-1-azabicyclo[2.2.2]oct-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide\"|N-[(3r)-1-azabicyclo[2.2.2]oct-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide|Pha-00568487|Dtxsid1047285|527680-56-4","logHenry":-8.326,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.835,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.034,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.803,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.4,"MP.Reference":"EPA-CCD-OPERA","MW":288.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.42","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.78","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.13,0.626,2.02","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"3.688","Human.Clint.pValue":0.0333,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"527680-56-4"}
{"Compound":"\"1,2-dinitrobenzene\"","CAS":"528-29-0","CAS.Checksum":true,"DTXSID":"DTXSID4024066","Formula":"C6H4N2O4","All.Compound.Names":"\"1,2-dinitrobenzene\"|1,2-dinitrobenzene|Dtxsid4024066","logHenry":-6.981,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.69,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.763,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.1,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.4,"MP.Reference":"EPA-CCD-OPERA","MW":168.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"24.2","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.06949","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"528-29-0"}
{"Compound":"Haloperidol","CAS":"52-86-8","CAS.Checksum":true,"DTXSID":"DTXSID4034150","Formula":"C21H23ClFNO2","All.Compound.Names":"Haloperidol|52-86-8|Dtxsid4034150","logHenry":-10.31,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.723,"logMA.Reference":"Pearce 2017","logP":4.288,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.144,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.43,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.5,"MP.Reference":"EPA-CCD-OPERA","MW":375.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.7","pKa_Accept.Reference":"Pearce 2017","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"11.4,5.06,25.7","Human.Caco2.Pab.Reference":"ChEMBL,Lanevskij","Human.Clint":"5.062","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.9,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.66,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.6,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.1784","Human.Funbound.plasma.Reference":"Wetmore 2015","Rat.Funbound.plasma":"0.23","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"52-86-8"}
{"Compound":"Prednisone","CAS":"53-03-2","CAS.Checksum":true,"DTXSID":"DTXSID4021185","Formula":"C21H26O5","All.Compound.Names":"Prednisone|53-03-2|Dtxsid4021185","logHenry":-8.913,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.466,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.941,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.479,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.7,"MP.Reference":"EPA-CCD-OPERA","MW":358.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Monkey","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"17.1,9.49,30.7","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.94,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.89,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.97,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.4818","Human.Funbound.plasma.Reference":"Wetmore 2015","Human.Rblood2plasma":0.83,"Human.Rblood2plasma.Reference":"Obach 1999","Monkey.Foral":0.38,"Monkey.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"53-03-2"}
{"Compound":"\"2-methyl-4,6-dinitrophenol\"","CAS":"534-52-1","CAS.Checksum":true,"DTXSID":"DTXSID1022053","Formula":"C7H6N2O5","All.Compound.Names":"\"2-methyl-4,6-dinitrophenol\"|2-methyl-4,6-dinitrophenol|4,6-dinitro-o-cresol|Dtxsid1022053|534-52-1","logHenry":-5.859,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.66,"logMA.Reference":"Endo 2011","logP":2.131,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.584,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.093,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.71,"MP.Reference":"EPA-CCD-OPERA","MW":198.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.1079,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.002637","Human.Funbound.plasma.Reference":"Wetmore 2015","Rat.Clint":"0","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.023","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"534-52-1"}
{"Compound":"Hexamethyl-p-rosaniline chloride","CAS":"548-62-9","CAS.Checksum":true,"DTXSID":"DTXSID5020653","Formula":"C25H30ClN3","All.Compound.Names":"Hexamethyl-p-rosaniline chloride|Gentian violet|Dtxsid5020653|548-62-9","logHenry":-6.371,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9598,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.74,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.668,"logWSol.Reference":"EPA-CCD-OPERA","MP":165,"MP.Reference":"EPA-CCD-OPERA","MW":408,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"8.322","Human.Clint.pValue":0.0005,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01384","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"548-62-9"}
{"Compound":"Carbosulfan","CAS":"55285-14-8","CAS.Checksum":true,"DTXSID":"DTXSID5023950","Formula":"C20H32N2O3S","All.Compound.Names":"Carbosulfan|Dtxsid5023950|55285-14-8","logHenry":-7.038,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.829,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.268,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.245,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.64,"MP.Reference":"EPA-CCD-OPERA","MW":380.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"26.74","Human.Clint.pValue":0.0003,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"55285-14-8"}
{"Compound":"Ethion","CAS":"563-12-2","CAS.Checksum":true,"DTXSID":"DTXSID2024086","Formula":"C9H22O4P2S4","All.Compound.Names":"Ethion|Dtxsid2024086","logHenry":-6.346,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.066,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.631,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.345,"logWSol.Reference":"EPA-CCD-OPERA","MP":-12.96,"MP.Reference":"EPA-CCD-OPERA","MW":384.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10.41","Human.Clint.pValue":0.0005,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"2.03e-08,1.74e-13,0.00401","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"563-12-2"}
{"Compound":"Diethylstilbestrol (des)","CAS":"56-53-1","CAS.Checksum":true,"DTXSID":"DTXSID3020465","Formula":"C18H20O2","All.Compound.Names":"Diethylstilbestrol (des)|Diethylstilbestrol|Dtxsid3020465|56-53-1","logHenry":-9.744,"logHenry.Reference":"EPA-CCD-OPERA","logMA":4.98,"logMA.Reference":"Endo 2011","logP":5.067,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.129,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.408,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.5,"MP.Reference":"EPA-CCD-OPERA","MW":268.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"39.5,19.1,51.6,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00935,0.00477,0.024","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"54.8","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"56-53-1"}
{"Compound":"Benz[a]anthracene","CAS":"56-55-3","CAS.Checksum":true,"DTXSID":"DTXSID5023902","Formula":"C18H12","All.Compound.Names":"Benz[a]anthracene|Benz(a)anthracene|Benzo[a]anthracene|Dtxsid5023902","logHenry":-4.927,"logHenry.Reference":"EPA-CCD-OPERA","logMA":6.46,"logMA.Reference":"Endo 2011","logP":5.602,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.77,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.86,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.5,"MP.Reference":"EPA-CCD-OPERA","MW":228.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"18.27","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01121","Human.Funbound.plasma.Reference":"Wetmore 2015","Human.Rblood2plasma":0.6718,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"56-55-3"}
{"Compound":"Phenytoin","CAS":"57-41-0","CAS.Checksum":true,"DTXSID":"DTXSID8020541","Formula":"C15H12N2O2","All.Compound.Names":"\"5,5-diphenylhydantoin\"|Phenytoin|Diphenylhydantoin|5,5-diphenylhydantoin|57-41-0|Dtxsid8020541","logHenry":-9.202,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2,"logMA.Reference":"Pearce 2017","logP":2.364,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.963,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.97,"logWSol.Reference":"EPA-CCD-OPERA","MP":296.4,"MP.Reference":"EPA-CCD-OPERA","MW":252.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.36,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"45.4,25.2,81.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0.8178","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.1624","Human.Funbound.plasma.Reference":"Wetmore 2015","Human.Rblood2plasma":0.8874,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"17.08","Rat.Clint.Reference":"Wood 2017","Rat.Foral":0.2962,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.1305","Rat.Funbound.plasma.Reference":"Honda 2019","Rat.Rblood2plasma":0.99,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"57-41-0"}
{"Compound":"\"2,6-dimethylphenol\"","CAS":"576-26-1","CAS.Checksum":true,"DTXSID":"DTXSID9024063","Formula":"C8H10O","All.Compound.Names":"\"2,6-dimethylphenol\"|2,6-dimethylphenol|Dtxsid9024063|576-26-1","logHenry":-5.255,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.47,"logMA.Reference":"Endo 2011","logP":2.36,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.707,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.306,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.93,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"20.52","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.2086","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"576-26-1"}
{"Compound":"Progesterone","CAS":"57-83-0","CAS.Checksum":true,"DTXSID":"DTXSID3022370","Formula":"C21H30O2","All.Compound.Names":"Progesterone|57-83-0|Dtxsid3022370","logHenry":-5.885,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.28,"logMA.Reference":"Endo 2011","logP":3.871,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.002,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.466,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.4,"MP.Reference":"EPA-CCD-OPERA","MW":314.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"32.2,17.9,57.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"33.7","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Foral":0.25,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.02311","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"57-83-0"}
{"Compound":"\"2,6-diethylaniline\"","CAS":"579-66-8","CAS.Checksum":true,"DTXSID":"DTXSID6027218","Formula":"C10H15N","All.Compound.Names":"\"2,6-diethylaniline\"|2,6-diethylaniline|Dtxsid6027218|579-66-8","logHenry":-5.688,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.741,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.991,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.348,"logWSol.Reference":"EPA-CCD-OPERA","MP":3.991,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"47.4,26.3,85.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"16.13","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.08962","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"579-66-8"}
{"Compound":"\"7,12-dimethylbenz(a)anthracene\"","CAS":"57-97-6","CAS.Checksum":true,"DTXSID":"DTXSID1020510","Formula":"C20H16","All.Compound.Names":"\"7,12-dimethylbenz(a)anthracene\"|7,12-dimethylbenz(a)anthracene|Dtxsid1020510","logHenry":-5.237,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.8,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.446,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.945,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.2,"MP.Reference":"EPA-CCD-OPERA","MW":256.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.226","Human.Clint.pValue":0.002,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"57-97-6"}
{"Compound":"Caffeine","CAS":"58-08-2","CAS.Checksum":true,"DTXSID":"DTXSID0020232","Formula":"C8H10N4O2","All.Compound.Names":"Caffeine-uf (red>100%)|Caffeine|58-08-2|Dtxsid0020232","logHenry":-5.808,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.07099,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.591,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9518,"logWSol.Reference":"EPA-CCD-OPERA","MP":237.7,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"39.7,22.1,71.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0.2855","Human.Clint.Reference":"Paini 2020","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.04,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.94,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"1,1,1","Human.Funbound.plasma.Reference":"Paini 2020","Human.Rblood2plasma":1.08,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Rat.Clint":"1.458","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.7335","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"58-08-2"}
{"Compound":"Pyrimethamine","CAS":"58-14-0","CAS.Checksum":true,"DTXSID":"DTXSID9021217","Formula":"C12H13ClN4","All.Compound.Names":"Pyrimethamine|58-14-0|Dtxsid9021217","logHenry":-8.697,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.69,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.558,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.404,"logWSol.Reference":"EPA-CCD-OPERA","MP":233.5,"MP.Reference":"EPA-CCD-OPERA","MW":248.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"26.2,14.6,47.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"2.768","Human.Clint.pValue":0.028,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.1177","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"58-14-0"}
{"Compound":"Fluridone ","CAS":"59756-60-4","CAS.Checksum":true,"DTXSID":"DTXSID8024107","Formula":"C19H14F3NO","All.Compound.Names":"Fluridone |Fluridone|1-methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone|Dtxsid8024107|59756-60-4","logHenry":-8.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.046,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.727,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.439,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.4,"MP.Reference":"EPA-CCD-OPERA","MW":329.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"41.3,23,74.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"5.594","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.1378","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"59756-60-4"}
{"Compound":"Sulfasalazine","CAS":"599-79-1","CAS.Checksum":true,"DTXSID":"DTXSID0021256","Formula":"C18H14N4O5S","All.Compound.Names":"Sulfasalazine|599-79-1|Dtxsid0021256","logHenry":-9.874,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.425,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.912,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.712,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.9,"MP.Reference":"EPA-CCD-OPERA","MW":398.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.40","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"4.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.0255,0.00629,0.103","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"5.16","Human.Clint.pValue":0.0226,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Fabs":0.59,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.13,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.15,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.004","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"599-79-1"}
{"Compound":"4-aminoazobenzene","CAS":"60-09-3","CAS.Checksum":true,"DTXSID":"DTXSID6024460","Formula":"C12H11N3","All.Compound.Names":"4-aminoazobenzene|C.i. solvent yellow 1|Dtxsid6024460|60-09-3","logHenry":-6.855,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.409,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.288,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.789,"logWSol.Reference":"EPA-CCD-OPERA","MP":127,"MP.Reference":"EPA-CCD-OPERA","MW":197.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"32.5,18.1,58.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"15.7","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.0171","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"60-09-3"}
{"Compound":"Dieldrin","CAS":"60-57-1","CAS.Checksum":true,"DTXSID":"DTXSID9020453","Formula":"C12H8Cl6O","All.Compound.Names":"Dieldrin|Dtxsid9020453","logHenry":-5.085,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.118,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.443,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.266,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.7,"MP.Reference":"EPA-CCD-OPERA","MW":380.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.262","Human.Clint.pValue":0.0541,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.009376","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"60-57-1"}
{"Compound":"\"2,6-dinitrotoluene\"","CAS":"606-20-2","CAS.Checksum":true,"DTXSID":"DTXSID5020528","Formula":"C7H6N2O4","All.Compound.Names":"\"2,6-dinitrotoluene\"|2,6-dinitrotoluene|Dtxsid5020528","logHenry":-6.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.098,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.978,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.979,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.35,"MP.Reference":"EPA-CCD-OPERA","MW":182.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"34.64","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.131","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"606-20-2"}
{"Compound":"Androstenedione","CAS":"63-05-8","CAS.Checksum":true,"DTXSID":"DTXSID8024523","Formula":"C19H26O2","All.Compound.Names":"Androstenedione|4-androstene-3,17-dione|Dtxsid8024523","logHenry":-5.327,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.752,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.407,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.692,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.7,"MP.Reference":"EPA-CCD-OPERA","MW":286.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"25.92","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.1744","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"63-05-8"}
{"Compound":"3-hydroxyfluorene","CAS":"6344-67-8","CAS.Checksum":true,"DTXSID":"DTXSID9047540","Formula":"C13H10O","All.Compound.Names":"3-hydroxyfluorene|Dtxsid9047540|6344-67-8","logHenry":-6.977,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.189,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.4,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.622,"logWSol.Reference":"EPA-CCD-OPERA","MP":127.4,"MP.Reference":"EPA-CCD-OPERA","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"20.56","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.02488","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"6344-67-8"}
{"Compound":"Didecyl dimethyl ammonium chloride","CAS":"7173-51-5","CAS.Checksum":true,"DTXSID":"DTXSID9032537","Formula":"C22H48ClN","All.Compound.Names":"Didecyl dimethyl ammonium chloride|Didecyldimethylammonium chloride|Dtxsid9032537|7173-51-5","logHenry":-5.804,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.683,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.613,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.873,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.4,"MP.Reference":"EPA-CCD-OPERA","MW":362.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"18.65","Human.Clint.pValue":0.0573,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"7173-51-5"}
{"Compound":"Endrin","CAS":"72-20-8","CAS.Checksum":true,"DTXSID":"DTXSID6020561","Formula":"C12H8Cl6O","All.Compound.Names":"Endrin|Dtxsid6020561","logHenry":-5.085,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.118,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.443,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.266,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.7,"MP.Reference":"EPA-CCD-OPERA","MW":380.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.3739,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.006423","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"72-20-8"}
{"Compound":"\"p,p'-ddd\"","CAS":"72-54-8","CAS.Checksum":true,"DTXSID":"DTXSID4020373","Formula":"C14H10Cl4","All.Compound.Names":"\"p,p'-ddd\"|P,p'-ddd|Dtxsid4020373","logHenry":-5.178,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.129,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.89,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.552,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.3,"MP.Reference":"EPA-CCD-OPERA","MW":320,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.0134,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.03115","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"72-54-8"}
{"Compound":"Phosmet","CAS":"732-11-6","CAS.Checksum":true,"DTXSID":"DTXSID5024261","Formula":"C11H12NO4PS2","All.Compound.Names":"Phosmet|Dtxsid5024261|732-11-6","logHenry":-9.429,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.781,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.944,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.184,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.96,"MP.Reference":"EPA-CCD-OPERA","MW":317.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"20,11.1,35.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"23.82","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.0477","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"732-11-6"}
{"Compound":"\"n,n-dimethyloctylamine\"","CAS":"7378-99-6","CAS.Checksum":true,"DTXSID":"DTXSID2036299","Formula":"C10H23N","All.Compound.Names":"\"n,n-dimethyloctylamine\"|N,n-dimethyloctylamine|Dtxsid2036299|7378-99-6","logHenry":-2.881,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.665,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.156,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.494,"logWSol.Reference":"EPA-CCD-OPERA","MP":-56.91,"MP.Reference":"EPA-CCD-OPERA","MW":157.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"35.14","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.5627","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"7378-99-6"}
{"Compound":"Lovastatin","CAS":"75330-75-5","CAS.Checksum":true,"DTXSID":"DTXSID5020784","Formula":"C24H36O5","All.Compound.Names":"Lovastatin|75330-75-5|Dtxsid5020784","logHenry":-7.499,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.258,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.097,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.998,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.5,"MP.Reference":"EPA-CCD-OPERA","MW":404.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.38","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.91","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.31,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.22,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.72,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.05,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.01429","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"75330-75-5"}
{"Compound":"Perfluorooctanesulfonamide","CAS":"754-91-6","CAS.Checksum":true,"DTXSID":"DTXSID3038939","Formula":"C8H2F17NO2S","All.Compound.Names":"Perfluorooctanesulfonamide|Pfosa|Dtxsid3038939|754-91-6","logHenry":-8.901,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.021,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.7225,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.107,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.75,"MP.Reference":"EPA-CCD-OPERA","MW":499.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"11.93","Human.Clint.pValue":0.0286,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.001515","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"PFAS","_row":"754-91-6"}
{"Compound":"Heptachlor","CAS":"76-44-8","CAS.Checksum":true,"DTXSID":"DTXSID3020679","Formula":"C10H5Cl7","All.Compound.Names":"Heptachlor|Dtxsid3020679","logHenry":-3.534,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.099,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.674,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.418,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.52,"MP.Reference":"EPA-CCD-OPERA","MW":373.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.574","Human.Clint.pValue":0.0292,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.04333","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"76-44-8"}
{"Compound":"Phenolphthalein","CAS":"77-09-8","CAS.Checksum":true,"DTXSID":"DTXSID0021125","Formula":"C20H14O4","All.Compound.Names":"Phenolphthalein|Dtxsid0021125|77-09-8","logHenry":-9.732,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.89,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.545,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.9,"logWSol.Reference":"EPA-CCD-OPERA","MP":262.5,"MP.Reference":"EPA-CCD-OPERA","MW":318.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"22.2,12.3,39.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"47.4","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.03116","Human.Funbound.plasma.Reference":"Wetmore 2015","Rat.Clint":"41.6","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0086","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"77-09-8"}
{"Compound":"Bisphenol b","CAS":"77-40-7","CAS.Checksum":true,"DTXSID":"DTXSID4022442","Formula":"C16H18O2","All.Compound.Names":"Bisphenol b|Dtxsid4022442|77-40-7","logHenry":-6.901,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.765,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.225,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.586,"logWSol.Reference":"EPA-CCD-OPERA","MP":121,"MP.Reference":"EPA-CCD-OPERA","MW":242.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"35.66","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01823","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"77-40-7"}
{"Compound":"\"o,p'-ddt\"","CAS":"789-02-6","CAS.Checksum":true,"DTXSID":"DTXSID6022345","Formula":"C14H9Cl5","All.Compound.Names":"\"o,p'-ddt\"|O,p'-ddt|Dtxsid6022345","logHenry":-4.843,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.923,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.644,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.671,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.4,"MP.Reference":"EPA-CCD-OPERA","MW":354.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"15.3,8.77,21.8,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"1.59e-08,1.67e-13,0.00177","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"789-02-6"}
{"Compound":"Simvastatin","CAS":"79902-63-9","CAS.Checksum":true,"DTXSID":"DTXSID0023581","Formula":"C25H38O5","All.Compound.Names":"Simvastatin|79902-63-9|Dtxsid0023581","logHenry":-7.455,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.677,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.655,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.645,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.6,"MP.Reference":"EPA-CCD-OPERA","MW":418.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.33","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.91","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"24.3","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Foral":0.03,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.00398","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"79902-63-9"}
{"Compound":"4-(2-methylbutan-2-yl)phenol","CAS":"80-46-6","CAS.Checksum":true,"DTXSID":"DTXSID8021771","Formula":"C11H16O","All.Compound.Names":"4-(2-methylbutan-2-yl)phenol|4-tert-amylphenol|4-tert-pentylphenol|Dtxsid8021771|80-46-6","logHenry":-6.207,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.6,"logMA.Reference":"Endo 2011","logP":3.491,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.222,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.988,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.44,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"20.96","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2015","Rat.Clint":"55.8","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.034","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"80-46-6"}
{"Compound":"Warfarin","CAS":"81-81-2","CAS.Checksum":true,"DTXSID":"DTXSID5023742","Formula":"C19H16O4","All.Compound.Names":"Warfarin|81-81-2|Dtxsid5023742","logHenry":-8.212,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.46,"logMA.Reference":"Endo 2011","logP":2.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.96,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.017,"logWSol.Reference":"EPA-CCD-OPERA","MP":161,"MP.Reference":"EPA-CCD-OPERA","MW":308.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.74","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human|Rat|Dog","Dog.Foral":0.858,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"46.1,25.6,82.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.998","Human.Clint.pValue":0.9984,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Fabs":0.98,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.97,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.93,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.01327,0.01262,0.01392","Human.Funbound.plasma.Reference":"Paini 2020","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Obach 1999","Rat.Clint":"0","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"81-81-2"}
{"Compound":"Acenaphthene","CAS":"83-32-9","CAS.Checksum":true,"DTXSID":"DTXSID3021774","Formula":"C12H10","All.Compound.Names":"Acenaphthene|Dtxsid3021774","logHenry":-3.735,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.921,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.407,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.437,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.25,"MP.Reference":"EPA-CCD-OPERA","MW":154.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.846","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.04533","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"83-32-9"}
{"Compound":"\"4,4'-methylene bis(2-methylaniline)\"","CAS":"838-88-0","CAS.Checksum":true,"DTXSID":"DTXSID5020867","Formula":"C15H18N2","All.Compound.Names":"\"4,4'-methylene bis(2-methylaniline)\"|4,4'-methylene bis(2-methylaniline)|4,4'-methylenebis(2-methylaniline)|4,4'-methylenebis(o-toluidine)|Dtxsid5020867|838-88-0","logHenry":-6.969,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.182,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.881,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.863,"logWSol.Reference":"EPA-CCD-OPERA","MP":107.8,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"38.2,21.3,68.8","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"3.984","Human.Clint.pValue":0.0016,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.2257","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"838-88-0"}
{"Compound":"Pk 11195","CAS":"85532-75-8","CAS.Checksum":true,"DTXSID":"DTXSID7041097","Formula":"C21H21ClN2O","All.Compound.Names":"Pk 11195|1-(2-chlorophenyl)-n-methyl-n-(1-methylpropyl)-3-isoquinolinecarboxamide|Dtxsid7041097|85532-75-8","logHenry":-8.132,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.793,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.904,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.288,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.4,"MP.Reference":"EPA-CCD-OPERA","MW":352.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"42.12","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01614","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"85532-75-8"}
{"Compound":"N-nitrosodiphenylamine","CAS":"86-30-6","CAS.Checksum":true,"DTXSID":"DTXSID6021030","Formula":"C12H10N2O","All.Compound.Names":"N-nitrosodiphenylamine|Dtxsid6021030|86-30-6","logHenry":-6.037,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.13,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.834,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.751,"logWSol.Reference":"EPA-CCD-OPERA","MP":66.58,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-1.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"8.288","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.04368","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"86-30-6"}
{"Compound":"Fluconazole ","CAS":"86386-73-4","CAS.Checksum":true,"DTXSID":"DTXSID3020627","Formula":"C13H12F2N6O","All.Compound.Names":"Fluconazole |Fluconazole|86386-73-4|Dtxsid3020627","logHenry":-8.116,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5014,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.552,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.801,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.1,"MP.Reference":"EPA-CCD-OPERA","MW":306.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.12","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.71","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Mouse|Rat|Dog","Dog.Foral":1,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"18.5,10.3,33.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"1.832","Human.Clint.pValue":0.0075,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.95,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.9,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.7109","Human.Funbound.plasma.Reference":"Wetmore 2015","Human.Rblood2plasma":1.06,"Human.Rblood2plasma.Reference":"Paixao 2012","Mouse.Foral":0.75,"Mouse.Foral.Reference":"Musther 2014","Rat.Foral":0.8,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"86386-73-4"}
{"Compound":"Diphenylenemethane","CAS":"86-73-7","CAS.Checksum":true,"DTXSID":"DTXSID8024105","Formula":"C13H10","All.Compound.Names":"Diphenylenemethane|Fluorene|Dtxsid8024105","logHenry":-4.017,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.18,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.656,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.944,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.4,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"12.08","Human.Clint.pValue":0.009,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01567","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"86-73-7"}
{"Compound":"\"1,2,3-trichlorobenzene\"","CAS":"87-61-6","CAS.Checksum":true,"DTXSID":"DTXSID8026193","Formula":"C6H3Cl3","All.Compound.Names":"\"1,2,3-trichlorobenzene\"|1,2,3-trichlorobenzene|Dtxsid8026193","logHenry":-2.902,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.87,"logMA.Reference":"Endo 2011","logP":4.08,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.095,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.976,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.34,"MP.Reference":"EPA-CCD-OPERA","MW":181.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6.984","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01567","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"87-61-6"}
{"Compound":"\"2,6-dimethylaniline\"","CAS":"87-62-7","CAS.Checksum":true,"DTXSID":"DTXSID8026307","Formula":"C8H11N","All.Compound.Names":"\"2,6-dimethylaniline\"|2,6-dimethylaniline|Dtxsid8026307|87-62-7","logHenry":-5.709,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.839,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.636,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.171,"logWSol.Reference":"EPA-CCD-OPERA","MP":10.67,"MP.Reference":"EPA-CCD-OPERA","MW":121.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"53.9,30,96.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"8.96","Human.Clint.pValue":0.0002,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.4311","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"87-62-7"}
{"Compound":"Pentachlorophenol","CAS":"87-86-5","CAS.Checksum":true,"DTXSID":"DTXSID7021106","Formula":"C6HCl5O","All.Compound.Names":"Pentachlorophenol|Pentachlorophenol (=2,4-d)|Dtxsid7021106|87-86-5","logHenry":-7.609,"logHenry.Reference":"EPA-CCD-OPERA","logMA":5.1,"logMA.Reference":"Endo 2011","logP":5.119,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.341,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.818,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.8,"MP.Reference":"EPA-CCD-OPERA","MW":266.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"8.764","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.05441","Human.Funbound.plasma.Reference":"Wetmore 2015","Human.Rblood2plasma":0.6882,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"3.5","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"87-86-5"}
{"Compound":"\"2,4,6-trichlorophenol\"","CAS":"88-06-2","CAS.Checksum":true,"DTXSID":"DTXSID5021386","Formula":"C6H3Cl3O","All.Compound.Names":"\"2,4,6-trichlorophenol\"|2,4,6-trichlorophenol|Dtxsid5021386|88-06-2","logHenry":-5.873,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.61,"logMA.Reference":"Endo 2011","logP":3.691,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.312,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.374,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.89,"MP.Reference":"EPA-CCD-OPERA","MW":197.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"18.76","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01512","Human.Funbound.plasma.Reference":"Wetmore 2015","Rat.Clint":"0","Rat.Clint.Reference":"Honda 2019","Chemical.Class":"","_row":"88-06-2"}
{"Compound":"Dinoseb","CAS":"88-85-7","CAS.Checksum":true,"DTXSID":"DTXSID3020207","Formula":"C10H12N2O5","All.Compound.Names":"Dinoseb|2-sec-butyl-4,6-dinitrophenol|Dtxsid3020207|88-85-7","logHenry":-7.201,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.5,"logMA.Reference":"Endo 2011","logP":3.559,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.2,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.561,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.66,"MP.Reference":"EPA-CCD-OPERA","MW":240.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.2782,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.00043","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"88-85-7"}
{"Compound":"2-anisidine","CAS":"90-04-0","CAS.Checksum":true,"DTXSID":"DTXSID5023877","Formula":"C7H9NO","All.Compound.Names":"2-anisidine|Dtxsid5023877|90-04-0","logHenry":-6.725,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.18,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.975,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9881,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.58,"MP.Reference":"EPA-CCD-OPERA","MW":123.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"43.3,24.1,77.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.pValue":0.4772,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.4532","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"90-04-0"}
{"Compound":"Naphthalene","CAS":"91-20-3","CAS.Checksum":true,"DTXSID":"DTXSID8020913","Formula":"C10H8","All.Compound.Names":"Naphthalene|Dtxsid8020913","logHenry":-3.357,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.296,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.872,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.611,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.65,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10.39","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.0156","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"91-20-3"}
{"Compound":"Quinoline","CAS":"91-22-5","CAS.Checksum":true,"DTXSID":"DTXSID1021798","Formula":"C9H7N","All.Compound.Names":"Quinoline|Dtxsid1021798|91-22-5","logHenry":-5.062,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.67,"logMA.Reference":"Endo 2011","logP":2.031,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.176,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.319,"logWSol.Reference":"EPA-CCD-OPERA","MP":-12.61,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"38.6","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.2036","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"91-22-5"}
{"Compound":"Ethoxyquin","CAS":"91-53-2","CAS.Checksum":true,"DTXSID":"DTXSID9020582","Formula":"C14H19NO","All.Compound.Names":"Ethoxyquin|Dtxsid9020582|91-53-2","logHenry":-6.901,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.106,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.145,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.556,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.89,"MP.Reference":"EPA-CCD-OPERA","MW":217.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"37.6,20.9,67.7","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"15.16","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01069","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"91-53-2"}
{"Compound":"2-naphthylamine","CAS":"91-59-8","CAS.Checksum":true,"DTXSID":"DTXSID2020921","Formula":"C10H9N","All.Compound.Names":"2-naphthylamine|Dtxsid2020921|91-59-8","logHenry":-7.087,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.281,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.19,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.875,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.1,"MP.Reference":"EPA-CCD-OPERA","MW":143.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"46.3,25.7,83.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"18.5","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.1099","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"91-59-8"}
{"Compound":"Coumarin","CAS":"91-64-5","CAS.Checksum":true,"DTXSID":"DTXSID7020348","Formula":"C9H6O2","All.Compound.Names":"Coumarin|91-64-5|Dtxsid7020348","logHenry":-7.298,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.391,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.328,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.836,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.71,"MP.Reference":"EPA-CCD-OPERA","MW":146.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"77.6,34.4,175","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"0","Human.Clint.pValue":0.1073,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Foral":0.03,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.1922","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"91-64-5"}
{"Compound":"\"n,n-diethyl aniline\"","CAS":"91-66-7","CAS.Checksum":true,"DTXSID":"DTXSID8021800","Formula":"C10H15N","All.Compound.Names":"\"n,n-diethyl aniline\"|N,n-diethyl aniline|N,n-diethylaniline|Dtxsid8021800|91-66-7","logHenry":-3.568,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.304,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.247,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.02,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.91,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9.812","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.04287","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"91-66-7"}
{"Compound":"N-nitrosodi-n-butylamine","CAS":"924-16-3","CAS.Checksum":true,"DTXSID":"DTXSID2021026","Formula":"C8H18N2O","All.Compound.Names":"N-nitrosodi-n-butylamine|N-nitrosodibutylamine|Dtxsid2021026|924-16-3","logHenry":-3.224,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.628,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.111,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.094,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.857,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"11.12","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.2602","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"924-16-3"}
{"Compound":"Biphenyl","CAS":"92-52-4","CAS.Checksum":true,"DTXSID":"DTXSID4020161","Formula":"C12H10","All.Compound.Names":"Biphenyl|Dtxsid4020161","logHenry":-3.512,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.01,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.13,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.339,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.89,"MP.Reference":"EPA-CCD-OPERA","MW":154.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"14.18","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01557","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"92-52-4"}
{"Compound":"Benzidine","CAS":"92-87-5","CAS.Checksum":true,"DTXSID":"DTXSID2020137","Formula":"C12H12N2","All.Compound.Names":"Benzidine|C.i. azoic diazo component 112|Dtxsid2020137|4,4'-diamino-1,1'-biphenyl|92-87-5","logHenry":-6.974,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.34,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.009,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.739,"logWSol.Reference":"EPA-CCD-OPERA","MP":119.2,"MP.Reference":"EPA-CCD-OPERA","MW":184.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"42.2,23.5,75.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"6.91","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.1977","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"92-87-5"}
{"Compound":"Methyleugenol","CAS":"93-15-2","CAS.Checksum":true,"DTXSID":"DTXSID5025607","Formula":"C11H14O2","All.Compound.Names":"Methyleugenol|Dtxsid5025607|1,2-dimethoxy-4-(2-propen-1-yl)benzene","logHenry":-4.003,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.44,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.338,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.552,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.63,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"26.56","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.1416","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"93-15-2"}
{"Compound":"Propylparaben","CAS":"94-13-3","CAS.Checksum":true,"DTXSID":"DTXSID4022527","Formula":"C10H12O3","All.Compound.Names":"Propylparaben|Dtxsid4022527|94-13-3","logHenry":-8.526,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.036,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.375,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.557,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.81,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"38","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.07639","Human.Funbound.plasma.Reference":"Wetmore 2015","Rat.Clint":"246","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0241","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"94-13-3"}
{"Compound":"Butylparaben","CAS":"94-26-8","CAS.Checksum":true,"DTXSID":"DTXSID3020209","Formula":"C11H14O3","All.Compound.Names":"Butylparaben|Butyl-4-hydroxybenzoate|Dtxsid3020209|94-26-8","logHenry":-9.469,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.54,"logMA.Reference":"Endo 2011","logP":3.565,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.076,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.932,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.75,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"39.3","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.04157","Human.Funbound.plasma.Reference":"Wetmore 2015","Rat.Clint":"271","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0356","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"94-26-8"}
{"Compound":"Tri(ethylene glycol) bis(2-ethylhexanoate)","CAS":"94-28-0","CAS.Checksum":true,"DTXSID":"DTXSID3026564","Formula":"C22H42O6","All.Compound.Names":"Tri(ethylene glycol) bis(2-ethylhexanoate)|Triethylene glycol bis(2-ethylhexanoate)|Dtxsid3026564","logHenry":-6.882,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.6,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.404,"logWSol.Reference":"EPA-CCD-OPERA","MP":-20.4,"MP.Reference":"EPA-CCD-OPERA","MW":402.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"22.62","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"94-28-0"}
{"Compound":"Safrole","CAS":"94-59-7","CAS.Checksum":true,"DTXSID":"DTXSID0021254","Formula":"C10H10O2","All.Compound.Names":"Safrole|Dtxsid0021254","logHenry":-3.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.057,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.805,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.326,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.25,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"14.12","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01789","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"94-59-7"}
{"Compound":"2-methylphenol","CAS":"95-48-7","CAS.Checksum":true,"DTXSID":"DTXSID8021808","Formula":"C7H8O","All.Compound.Names":"2-methylphenol|O-cresol|Dtxsid8021808|95-48-7","logHenry":-5.928,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.45,"logMA.Reference":"Endo 2011","logP":1.951,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.098,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.624,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.76,"MP.Reference":"EPA-CCD-OPERA","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"27.48","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.38","Human.Funbound.plasma.Reference":"Wetmore 2015","Rat.Clint":"0","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.525","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"95-48-7"}
{"Compound":"\"1,2,4,5-tetrachlorobenzene\"","CAS":"95-94-3","CAS.Checksum":true,"DTXSID":"DTXSID7024320","Formula":"C6H2Cl4","All.Compound.Names":"\"1,2,4,5-tetrachlorobenzene\"|1,2,4,5-tetrachlorobenzene|Dtxsid7024320","logHenry":-2.998,"logHenry.Reference":"EPA-CCD-OPERA","logMA":4.27,"logMA.Reference":"Endo 2011","logP":4.62,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.012,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.006,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.2,"MP.Reference":"EPA-CCD-OPERA","MW":215.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"8.842","Human.Clint.pValue":0.0012,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.000993","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"95-94-3"}
{"Compound":"\"2,4,5-trichlorophenol\"","CAS":"95-95-4","CAS.Checksum":true,"DTXSID":"DTXSID4024359","Formula":"C6H3Cl3O","All.Compound.Names":"\"2,4,5-trichlorophenol\"|2,4,5-trichlorophenol|Dtxsid4024359|95-95-4","logHenry":-6.291,"logHenry.Reference":"EPA-CCD-OPERA","logMA":4.46,"logMA.Reference":"Endo 2011","logP":3.722,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.766,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.221,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.06,"MP.Reference":"EPA-CCD-OPERA","MW":197.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"26.24","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.005322","Human.Funbound.plasma.Reference":"Wetmore 2015","Rat.Clint":"60.8","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"95-95-4"}
{"Compound":"Eugenol","CAS":"97-53-0","CAS.Checksum":true,"DTXSID":"DTXSID9020617","Formula":"C10H12O2","All.Compound.Names":"Eugenol|Dtxsid9020617|97-53-0","logHenry":-6.655,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.272,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.444,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.289,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.851,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"103.6","Human.Clint.pValue":0.0003,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.1922","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"97-53-0"}
{"Compound":"Isoeugenol","CAS":"97-54-1","CAS.Checksum":true,"DTXSID":"DTXSID7022413","Formula":"C10H12O2","All.Compound.Names":"Isoeugenol|Dtxsid7022413|97-54-1","logHenry":-6.655,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.035,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.686,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.275,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.59,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"71.78","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"97-54-1"}
{"Compound":"4-tert-butylphenol","CAS":"98-54-4","CAS.Checksum":true,"DTXSID":"DTXSID1020221","Formula":"C10H14O","All.Compound.Names":"4-tert-butylphenol|4-(1,1-dimethylethyl)phenol|Dtxsid1020221|98-54-4","logHenry":-5.927,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.53,"logMA.Reference":"Endo 2011","logP":3.31,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.192,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.405,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.14,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"26.8","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.1052","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"98-54-4"}
{"Compound":"Nitrobenzene","CAS":"98-95-3","CAS.Checksum":true,"DTXSID":"DTXSID3020964","Formula":"C6H5NO2","All.Compound.Names":"Nitrobenzene|Dtxsid3020964","logHenry":-4.623,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.01,"logMA.Reference":"Endo 2011","logP":1.851,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.018,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.788,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.755,"MP.Reference":"EPA-CCD-OPERA","MW":123.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"8.168","Human.Clint.pValue":0.0083,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.3844","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"98-95-3"}
{"Compound":"3-nitrotoluene","CAS":"99-08-1","CAS.Checksum":true,"DTXSID":"DTXSID5021831","Formula":"C7H7NO2","All.Compound.Names":"3-nitrotoluene|Dtxsid5021831","logHenry":-5.033,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.449,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.097,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.78,"MP.Reference":"EPA-CCD-OPERA","MW":137.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"16.82","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.07728","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"99-08-1"}
{"Compound":"2-methoxy-5-nitroaniline","CAS":"99-59-2","CAS.Checksum":true,"DTXSID":"DTXSID0020943","Formula":"C7H8N2O3","All.Compound.Names":"2-methoxy-5-nitroaniline|5-nitro-o-anisidine|Dtxsid0020943|99-59-2","logHenry":-6.978,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.471,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.244,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.165,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.2,"MP.Reference":"EPA-CCD-OPERA","MW":168.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"51.6,28.7,92.8","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"12.03","Human.Clint.pValue":0.0076,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.3359","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"99-59-2"}
{"Compound":"\"1,3-diisopropylbenzene\"","CAS":"99-62-7","CAS.Checksum":true,"DTXSID":"DTXSID8026640","Formula":"C12H18","All.Compound.Names":"\"1,3-diisopropylbenzene\"|1,3-diisopropylbenzene|Dtxsid8026640","logHenry":-1.901,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.124,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.058,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.137,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.59,"MP.Reference":"EPA-CCD-OPERA","MW":162.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7.788","Human.Clint.pValue":0.0012,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01237","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"99-62-7"}
{"Compound":"4-(butan-2-yl)phenol","CAS":"99-71-8","CAS.Checksum":true,"DTXSID":"DTXSID7022332","Formula":"C10H14O","All.Compound.Names":"4-(butan-2-yl)phenol|4-sec-butylphenol|Dtxsid7022332|99-71-8","logHenry":-6.195,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.16,"logMA.Reference":"Endo 2011","logP":3.083,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.486,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.196,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.11,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"19.03","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.0608","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"99-71-8"}
{"Compound":"Methylparaben","CAS":"99-76-3","CAS.Checksum":true,"DTXSID":"DTXSID4022529","Formula":"C8H8O3","All.Compound.Names":"Methylparaben|Dtxsid4022529|99-76-3","logHenry":-8.529,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.958,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.595,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.765,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.2,"MP.Reference":"EPA-CCD-OPERA","MW":152.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"107.5","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.07056","Human.Funbound.plasma.Reference":"Wetmore 2015","Rat.Clint":"86.2","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.174","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"99-76-3"}
{"Compound":"\"n,n,4-trimethylaniline\"","CAS":"99-97-8","CAS.Checksum":true,"DTXSID":"DTXSID0021832","Formula":"C9H13N","All.Compound.Names":"\"n,n,4-trimethylaniline\"|N,n,4-trimethylaniline|Dtxsid0021832|99-97-8","logHenry":-3.655,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.809,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.052,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.3,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.26,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"20.38","Human.Clint.pValue":0.0001,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.05498","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"99-97-8"}
{"Compound":"4-nitrotoluene","CAS":"99-99-0","CAS.Checksum":true,"DTXSID":"DTXSID5023792","Formula":"C7H7NO2","All.Compound.Names":"4-nitrotoluene|Dtxsid5023792","logHenry":-5.24,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.371,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.175,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.489,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.8,"MP.Reference":"EPA-CCD-OPERA","MW":137.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"19.32","Human.Clint.pValue":0.0002,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.2659","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"","_row":"99-99-0"}
{"Compound":"Perfluorobutanesulfonic acid","CAS":"375-73-5","CAS.Checksum":true,"DTXSID":"DTXSID5030030","Formula":"C4HF9O3S","All.Compound.Names":"Perfluorobutanesulfonic acid|Dtxsid5030030|375-73-5","logHenry":-9.53,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.117,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.047,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.14,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.8,"MP.Reference":"EPA-CCD-OPERA","MW":300.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.152","Human.Clint.pValue":0.0774,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.01933","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"PFAS","_row":"375-73-5"}
{"Compound":"Perfluorohexanesulfonic acid","CAS":"355-46-4","CAS.Checksum":true,"DTXSID":"DTXSID7040150","Formula":"C6HF13O3S","All.Compound.Names":"Perfluorohexanesulfonic acid|Dtxsid7040150|355-46-4","logHenry":-9.713,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.203,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.071,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.215,"logWSol.Reference":"EPA-CCD-OPERA","MP":190,"MP.Reference":"EPA-CCD-OPERA","MW":400.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.pValue":0.5444,"Human.Clint.pValue.Reference":"Wetmore 2015","Human.Clint.Reference":"Wetmore 2015","Human.Funbound.plasma":"0.001342","Human.Funbound.plasma.Reference":"Wetmore 2015","Chemical.Class":"PFAS","_row":"355-46-4"}
{"Compound":"Methyl octanoate","CAS":"111-11-5","CAS.Checksum":true,"DTXSID":"DTXSID2026864","Formula":"C9H18O2","All.Compound.Names":"Methyl octanoate|Dtxsid2026864","logHenry":-3.109,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.342,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.111,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.218,"logWSol.Reference":"EPA-CCD-OPERA","MP":-41.47,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"817,174,1310,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"111-11-5"}
{"Compound":"Chlorpromazine","CAS":"50-53-3","CAS.Checksum":true,"DTXSID":"DTXSID0022808","Formula":"C17H19ClN2S","All.Compound.Names":"Chlorpromazine|50-53-3|Dtxsid0022808","logHenry":-8.057,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.628,"logMA.Reference":"Pearce 2017","logP":5.408,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.499,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.154,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.07,"MP.Reference":"EPA-CCD-OPERA","MW":318.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"9.12,4.05,20.5","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"195.1","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.03,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.31,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.88,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.78,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Rat.Clint":"0","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.1","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1.48,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"50-53-3"}
{"Compound":"Propafenone","CAS":"54063-53-5","CAS.Checksum":true,"DTXSID":"DTXSID9045184","Formula":"C21H27NO3","All.Compound.Names":"Propafenone|54063-53-5|Dtxsid9045184","logHenry":-9.224,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.334,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.084,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.583,"logWSol.Reference":"EPA-CCD-OPERA","MP":117.4,"MP.Reference":"EPA-CCD-OPERA","MW":341.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"38.94","Human.Clint.Reference":"Wood 2017","Human.Foral":0.17,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.04","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.7,"Human.Rblood2plasma.Reference":"Obach 1999","Rat.Clint":"2287","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.022","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"54063-53-5"}
{"Compound":"Verapamil","CAS":"52-53-9","CAS.Checksum":true,"DTXSID":"DTXSID9041152","Formula":"C27H38N2O4","All.Compound.Names":"Verapamil|(+/-)-verapamil|52-53-9|Dtxsid9041152","logHenry":-6.329,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.2,"logMA.Reference":"Pearce 2017","logP":3.791,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.893,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.531,"logWSol.Reference":"EPA-CCD-OPERA","MP":117.1,"MP.Reference":"EPA-CCD-OPERA","MW":454.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog|Monkey","Dog.Foral":0.1243,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"21.1,9.36,47.5","Human.Caco2.Pab.Reference":"Lanevskij,ChEMBL","Human.Clint":"12.7,8.96,15.6,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.74,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.28,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.77,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Monkey.Foral":0.025,"Monkey.Foral.Reference":"Musther 2014","Rat.Clint":"138.3","Rat.Clint.Reference":"Wood 2017","Rat.Foral":0.0575,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.05","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.85,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"52-53-9"}
{"Compound":"Diphenhydramine","CAS":"58-73-1","CAS.Checksum":true,"DTXSID":"DTXSID4022949","Formula":"C17H21NO","All.Compound.Names":"Diphenhydramine|58-73-1|Dtxsid4022949","logHenry":-5.32,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.27,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.261,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.18,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.8,"MP.Reference":"EPA-CCD-OPERA","MW":255.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.78","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.841","Human.Clint.Reference":"Wood 2017","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.22","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.65,"Human.Rblood2plasma.Reference":"Obach 1999","Chemical.Class":"","_row":"58-73-1"}
{"Compound":"Lorcainide","CAS":"59729-31-6","CAS.Checksum":true,"DTXSID":"DTXSID2023226","Formula":"C22H27ClN2O","All.Compound.Names":"Lorcainide|59729-31-6|Dtxsid2023226","logHenry":-7.073,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.85,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.846,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.106,"logWSol.Reference":"EPA-CCD-OPERA","MP":262.5,"MP.Reference":"EPA-CCD-OPERA","MW":370.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"34.66","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.7,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.13,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.32,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.03,"Human.Foral.Reference":"Varma 2010","Human.Funbound.plasma":"0.15","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.77,"Human.Rblood2plasma.Reference":"Obach 1999","Rat.Clint":"0","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.26","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1.2,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"59729-31-6"}
{"Compound":"Diltiazem hydrochloride","CAS":"33286-22-5","CAS.Checksum":true,"DTXSID":"DTXSID8040147","Formula":"C22H27ClN2O4S","All.Compound.Names":"Diltiazem|Diltiazem hydrochloride|Dtxsid8040147|33286-22-5","logHenry":-8.718,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.746,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.943,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.234,"logWSol.Reference":"EPA-CCD-OPERA","MP":127.3,"MP.Reference":"EPA-CCD-OPERA","MW":451,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.83","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.7","pKa_Donor.Reference":"Jones 2002","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"23.48","Human.Clint.Reference":"Naritomi 2003","Human.Funbound.plasma":"0.22","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Obach 1999","Rat.Clint":"687.5","Rat.Clint.Reference":"Naritomi 2003","Rat.Foral":1,"Rat.Foral.Reference":"Naritomi 2003","Rat.Funbound.plasma":"0.184","Rat.Funbound.plasma.Reference":"Naritomi 2003","Rat.Rblood2plasma":0.93,"Rat.Rblood2plasma.Reference":"Naritomi 2003","Chemical.Class":"","_row":"33286-22-5"}
{"Compound":"Amitriptyline","CAS":"50-48-6","CAS.Checksum":true,"DTXSID":"DTXSID7022594","Formula":"C20H23N","All.Compound.Names":"Amitriptyline|Amitryptyline|50-48-6|Dtxsid7022594","logHenry":-6.825,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.919,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.681,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.572,"logWSol.Reference":"EPA-CCD-OPERA","MP":196,"MP.Reference":"EPA-CCD-OPERA","MW":277.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.965,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"20.9,9.27,47.1","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"12.46","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.68,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.74,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.86,"Human.Rblood2plasma.Reference":"Obach 1999","Chemical.Class":"","_row":"50-48-6"}
{"Compound":"Desipramine","CAS":"50-47-5","CAS.Checksum":true,"DTXSID":"DTXSID6022896","Formula":"C18H22N2","All.Compound.Names":"Desipramine|50-47-5|Dtxsid6022896","logHenry":-5.251,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.898,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.031,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.689,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.6,"MP.Reference":"EPA-CCD-OPERA","MW":266.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"21.4,9.49,48.2","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"29.98","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.75,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.53,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.78,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.18","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.96,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Chemical.Class":"","_row":"50-47-5"}
{"Compound":"Imipramine","CAS":"50-49-7","CAS.Checksum":true,"DTXSID":"DTXSID1043881","Formula":"C19H24N2","All.Compound.Names":"Imipramine|50-49-7|Dtxsid1043881","logHenry":-5.116,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3,"logMA.Reference":"Pearce 2017","logP":4.8,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.981,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.3,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.3,"MP.Reference":"EPA-CCD-OPERA","MW":280.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"24,10.6,54.1","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"35.05","Human.Clint.Reference":"Wood 2017","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":1.07,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Rat.Foral":0.2592,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.24","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1.67,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"50-49-7"}
{"Compound":"Ketamine","CAS":"6740-88-1","CAS.Checksum":true,"DTXSID":"DTXSID8023187","Formula":"C13H16ClNO","All.Compound.Names":"Ketamine|6740-88-1|Dtxsid8023187","logHenry":-8.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.189,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.357,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1492,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.47,"MP.Reference":"EPA-CCD-OPERA","MW":237.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"11","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.2,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.88","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.82,"Human.Rblood2plasma.Reference":"Obach 1999","Chemical.Class":"","_row":"6740-88-1"}
{"Compound":"Quinidine","CAS":"56-54-2","CAS.Checksum":true,"DTXSID":"DTXSID4023549","Formula":"C20H24N2O2","All.Compound.Names":"Quinidine|56-54-2|Dtxsid4023549","logHenry":-8.574,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.3,"logMA.Reference":"Pearce 2017","logP":3.439,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.181,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.009,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.9,"MP.Reference":"EPA-CCD-OPERA","MW":324.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.733,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"51.8,23,117","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"6.62","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.88,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.85,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.96,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.13","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.9,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Rat.Clint":"0","Rat.Clint.Reference":"Wood 2017","Rat.Foral":0.57,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.33","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1.4,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"56-54-2"}
{"Compound":"Clozapine","CAS":"5786-21-0","CAS.Checksum":true,"DTXSID":"DTXSID5022855","Formula":"C18H19ClN4","All.Compound.Names":"Clozapine|5786-21-0|Dtxsid5022855","logHenry":-8.762,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.954,"logMA.Reference":"Pearce 2017","logP":3.23,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.266,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.942,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.4,"MP.Reference":"EPA-CCD-OPERA","MW":326.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.78","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"8.567","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.55,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.55,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.89,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.75,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.87,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Chemical.Class":"","_row":"5786-21-0"}
{"Compound":"Dexamethasone","CAS":"50-02-2","CAS.Checksum":true,"DTXSID":"DTXSID3020384","Formula":"C22H29FO5","All.Compound.Names":"Dexamethasone|50-02-2|Dtxsid3020384","logHenry":-10.18,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.92,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.381,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.702,"logWSol.Reference":"EPA-CCD-OPERA","MP":247.4,"MP.Reference":"EPA-CCD-OPERA","MW":392.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"12.3,5.46,27.7","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"1.791","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.03,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.86,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.8,"Human.Foral.Reference":"Varma 2010","Human.Funbound.plasma":"0.32","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.93,"Human.Rblood2plasma.Reference":"Obach 1999","Rat.Funbound.plasma":"0.13","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.8,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"50-02-2"}
{"Compound":"Diazepam","CAS":"439-14-5","CAS.Checksum":true,"DTXSID":"DTXSID4020406","Formula":"C16H13ClN2O","All.Compound.Names":"Diazepam|439-14-5|Dtxsid4020406","logHenry":-6.605,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.763,"logMA.Reference":"Pearce 2017","logP":2.905,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.931,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.757,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.1,"MP.Reference":"EPA-CCD-OPERA","MW":284.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.86,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"70.8,31.4,160","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"2.181","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.013","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.78,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Rat.Clint":"90","Rat.Clint.Reference":"Wood 2017","Rat.Foral":1,"Rat.Foral.Reference":"Naritomi 2003","Rat.Funbound.plasma":"0.15","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1.04,"Rat.Rblood2plasma.Reference":"Naritomi 2003","Chemical.Class":"","_row":"439-14-5"}
{"Compound":"Midazolam","CAS":"59467-70-8","CAS.Checksum":true,"DTXSID":"DTXSID5023320","Formula":"C18H13ClFN3","All.Compound.Names":"Midazolam|59467-70-8|Dtxsid5023320","logHenry":-8.213,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.9,"logMA.Reference":"Pearce 2017","logP":2.444,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.299,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.293,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.9,"MP.Reference":"EPA-CCD-OPERA","MW":325.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat|Mouse|Dog|Monkey","Dog.Foral":0.151,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"12.1,7.59,15.7,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.55,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.77,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.74,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.67,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Monkey.Foral":0.0187,"Monkey.Foral.Reference":"Musther 2014","Mouse.Foral":0.023,"Mouse.Foral.Reference":"Musther 2014","Rat.Clint":"95.83","Rat.Clint.Reference":"Wood 2017","Rat.Foral":0.1105,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.07","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.55,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"59467-70-8"}
{"Compound":"Methoxsalen","CAS":"298-81-7","CAS.Checksum":true,"DTXSID":"DTXSID8020830","Formula":"C12H8O4","All.Compound.Names":"Methoxsalen|Methoxypsoralen,8-|8-methoxypsoralen|Dtxsid8020830|298-81-7","logHenry":-8.967,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.965,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.481,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.656,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.8,"MP.Reference":"EPA-CCD-OPERA","MW":216.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.Reference":"Wood 2017","Human.Funbound.plasma":"0.09","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.67,"Human.Rblood2plasma.Reference":"Obach 1999","Chemical.Class":"","_row":"298-81-7"}
{"Compound":"Alprazolam","CAS":"28981-97-7","CAS.Checksum":true,"DTXSID":"DTXSID4022577","Formula":"C17H13ClN4","All.Compound.Names":"Alprazolam|28981-97-7|Dtxsid4022577","logHenry":-8.223,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.5,"logMA.Reference":"Pearce 2017","logP":2.122,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.618,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.604,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.8,"MP.Reference":"EPA-CCD-OPERA","MW":308.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.83","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"1.42,8.19","pKa_Donor.Reference":"TNO","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.3894","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.92,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.98,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.97,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.91,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.32","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.78,"Human.Rblood2plasma.Reference":"Obach 1999","Rat.Clint":"31.04","Rat.Clint.Reference":"Wood 2017","Rat.Foral":0.3539,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.35","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"28981-97-7"}
{"Compound":"Triazolam","CAS":"28911-01-5","CAS.Checksum":true,"DTXSID":"DTXSID6046763","Formula":"C17H12Cl2N4","All.Compound.Names":"Triazolam|28911-01-5|Dtxsid6046763","logHenry":-7.433,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.422,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.275,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.085,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.9,"MP.Reference":"EPA-CCD-OPERA","MW":343.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat|Mouse","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.492","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.85,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.74,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.87,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.62,"Human.Rblood2plasma.Reference":"Obach 1999","Mouse.Foral":0.19,"Mouse.Foral.Reference":"Musther 2014","Rat.Clint":"177.9","Rat.Clint.Reference":"Wood 2017","Rat.Foral":0.16,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.28","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"28911-01-5"}
{"Compound":"Zolpidem","CAS":"82626-48-0","CAS.Checksum":true,"DTXSID":"DTXSID7045946","Formula":"C19H21N3O","All.Compound.Names":"Zolpidem|82626-48-0|Dtxsid7045946","logHenry":-7.381,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.447,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.242,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.818,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.9,"MP.Reference":"EPA-CCD-OPERA","MW":307.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.271","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.88,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.81,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.08","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.76,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Rat.Foral":0.27,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.13","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.86,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"82626-48-0"}
{"Compound":"Diclofenac","CAS":"15307-86-5","CAS.Checksum":true,"DTXSID":"DTXSID6022923","Formula":"C14H11Cl2NO2","All.Compound.Names":"Diclofenac|15307-86-5|Dtxsid6022923","logHenry":-9.804,"logHenry.Reference":"EPA-CCD-OPERA","logMA":4.45,"logMA.Reference":"Endo 2011","logP":4.52,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.778,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.211,"logWSol.Reference":"EPA-CCD-OPERA","MP":233.9,"MP.Reference":"EPA-CCD-OPERA","MW":296.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"37.1,16.4,83.5","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"65.42","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.64,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.85,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.005","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Rat.Clint":"76.88","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.022","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"15307-86-5"}
{"Compound":"Ibuprofen","CAS":"15687-27-1","CAS.Checksum":true,"DTXSID":"DTXSID5020732","Formula":"C13H18O2","All.Compound.Names":"Ibuprofen|15687-27-1|Dtxsid5020732","logHenry":-7.087,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.8,"logMA.Reference":"Endo 2011","logP":3.735,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.022,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.758,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.4,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Monkey","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"43.3,19.2,97.5","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"10.12","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.04,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.96,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.85,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Monkey.Foral":1,"Monkey.Foral.Reference":"Musther 2014","Rat.Clint":"5.9","Rat.Clint.Reference":"Honda 2019","Rat.Foral":0.9,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.023","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"15687-27-1"}
{"Compound":"Tolbutamide","CAS":"64-77-7","CAS.Checksum":true,"DTXSID":"DTXSID8021359","Formula":"C12H18N2O3S","All.Compound.Names":"Tolbutamide|64-77-7|Dtxsid8021359","logHenry":-9.763,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.415,"logMA.Reference":"Pearce 2017","logP":2.339,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.741,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.424,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.5,"MP.Reference":"EPA-CCD-OPERA","MW":270.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"47.2,26.2,84.8","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"1.324","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.85,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.87,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.04","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.68,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Rat.Clint":"2.042","Rat.Clint.Reference":"Wood 2017","Rat.Foral":0.9999,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.0071","Rat.Funbound.plasma.Reference":"Honda 2019","Rat.Rblood2plasma":0.75,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"64-77-7"}
{"Compound":"Tenidap","CAS":"120210-48-2","CAS.Checksum":true,"DTXSID":"DTXSID9046104","Formula":"C14H9ClN2O3S","All.Compound.Names":"Tenidap|Dtxsid9046104|120210-48-2","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.729,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.76,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.35,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.9,"MP.Reference":"EPA-CCD-OPERA","MW":320.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"51.3,22.8,116","Human.Caco2.Pab.Reference":"Lanevskij","Human.Funbound.plasma":"7e-04","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.56,"Human.Rblood2plasma.Reference":"Obach 1999","Chemical.Class":"","_row":"120210-48-2"}
{"Compound":"Tenoxicam","CAS":"59804-37-4","CAS.Checksum":true,"DTXSID":"DTXSID8045486","Formula":"C13H11N3O4S2","All.Compound.Names":"Tenoxicam|59804-37-4|Dtxsid8045486","logHenry":-10,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.427,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.054,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.874,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.7,"MP.Reference":"EPA-CCD-OPERA","MW":337.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.57","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"5.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.869","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.95,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.009","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.67,"Human.Rblood2plasma.Reference":"Obach 1999","Rat.Funbound.plasma":"0.017","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"59804-37-4"}
{"Compound":"Amobarbital","CAS":"57-43-2","CAS.Checksum":true,"DTXSID":"DTXSID9020081","Formula":"C11H18N2O3","All.Compound.Names":"Amobarbital|57-43-2|Dtxsid9020081","logHenry":-8.447,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.069,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.084,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.563,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.6,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.Reference":"Wood 2017","Human.Foral":0.95,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.39","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":1.5,"Human.Rblood2plasma.Reference":"Obach 1999","Chemical.Class":"","_row":"57-43-2"}
{"Compound":"Hexobarbital","CAS":"56-29-1","CAS.Checksum":true,"DTXSID":"DTXSID9023122","Formula":"C12H16N2O3","All.Compound.Names":"Hexobarbital|Hexobarbitone|56-29-1|Dtxsid9023122","logHenry":-7.892,"logHenry.Reference":"EPA-CCD-OPERA","logMA":0.9542,"logMA.Reference":"Pearce 2017","logP":1.979,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.189,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.733,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.6,"MP.Reference":"EPA-CCD-OPERA","MW":236.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.87","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.1","pKa_Donor.Reference":"Pearce 2017","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.Reference":"Wood 2017","Human.Foral":0.95,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.53","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Obach 1999","Rat.Funbound.plasma":"0.7","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"56-29-1"}
{"Compound":"Methohexital","CAS":"151-83-7","CAS.Checksum":true,"DTXSID":"DTXSID1023287","Formula":"C14H18N2O3","All.Compound.Names":"Methohexital|Dtxsid1023287|151-83-7","logHenry":-7.85,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.228,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.131,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.89,"logWSol.Reference":"EPA-CCD-OPERA","MP":99.84,"MP.Reference":"EPA-CCD-OPERA","MW":262.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.Reference":"Wood 2017","Human.Funbound.plasma":"0.27","Human.Funbound.plasma.Reference":"Obach 1999","Human.Rblood2plasma":0.7,"Human.Rblood2plasma.Reference":"Obach 1999","Chemical.Class":"","_row":"151-83-7"}
{"Compound":"Metformin hydrochloride","CAS":"1115-70-4","CAS.Checksum":true,"DTXSID":"DTXSID9037246","Formula":"C4H12ClN5","All.Compound.Names":"Metformin hydrochloride|Dtxsid9037246|1115-70-4","logHenry":-8.452,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3239,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.603,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.225,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.4,"MP.Reference":"EPA-CCD-OPERA","MW":165.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"13.28","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.4","pKa_Donor.Reference":"Jones 2002","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1115-70-4"}
{"Compound":"Ranitidine hydrochloride","CAS":"66357-59-3","CAS.Checksum":true,"DTXSID":"DTXSID201015892","Formula":"C13H23ClN4O3S","All.Compound.Names":"Ranitidine hydrochloride|Ranitidine hydrochloride (1:1)|Dtxsid201015892|66357-59-3","logHenry":-8.147,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1331,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.42,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.89,"logWSol.Reference":"EPA-CCD-OPERA","MP":102,"MP.Reference":"EPA-CCD-OPERA","MW":350.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66357-59-3"}
{"Compound":"Cimetidine","CAS":"51481-61-9","CAS.Checksum":true,"DTXSID":"DTXSID4020329","Formula":"C10H16N6S","All.Compound.Names":"Cimetidine|51481-61-9|Dtxsid4020329","logHenry":-9.171,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3996,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.809,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.448,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.1,"MP.Reference":"EPA-CCD-OPERA","MW":252.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.2","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.8","pKa_Donor.Reference":"Jones 2002","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.99,1.77,9","Human.Caco2.Pab.Reference":"Lanevskij,ChEMBL","Human.Clint":"5.452","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.68,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.72,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.78","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.97,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"51481-61-9"}
{"Compound":"Naproxen","CAS":"22204-53-1","CAS.Checksum":true,"DTXSID":"DTXSID4040686","Formula":"C14H14O3","All.Compound.Names":"Naproxen|22204-53-1|Dtxsid4040686","logHenry":-8.974,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.18,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.571,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.235,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.9,"MP.Reference":"EPA-CCD-OPERA","MW":230.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":1,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"37.1,20.6,66.7","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"26.48","Human.Clint.Reference":"Wood 2017","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.002","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"22204-53-1"}
{"Compound":"Atenolol","CAS":"29122-68-7","CAS.Checksum":true,"DTXSID":"DTXSID2022628","Formula":"C14H22N2O3","All.Compound.Names":"Atenolol|29122-68-7|Dtxsid2022628","logHenry":-9.512,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.2,"logMA.Reference":"Endo 2011","logP":0.1596,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.068,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.28,"logWSol.Reference":"EPA-CCD-OPERA","MP":147,"MP.Reference":"EPA-CCD-OPERA","MW":266.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.16","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.2","pKa_Donor.Reference":"Jones 2002","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.538,0.106,2.73","Human.Caco2.Pab.Reference":"ChEMBL,Lanevskij","Human.Clint":"1.986","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.5,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.58,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.94","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.07,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"29122-68-7"}
{"Compound":"Oxytetracycline","CAS":"79-57-2","CAS.Checksum":true,"DTXSID":"DTXSID1034260","Formula":"C22H24N2O9","All.Compound.Names":"Oxytetracycline|79-57-2|Dtxsid1034260","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9001,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.4,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.141,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.5,"MP.Reference":"EPA-CCD-OPERA","MW":460.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.19","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.3","pKa_Donor.Reference":"Jones 2002","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.58,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.9","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"79-57-2"}
{"Compound":"Diclofenac sodium","CAS":"15307-79-6","CAS.Checksum":true,"DTXSID":"DTXSID3037208","Formula":"C14H10Cl2NNaO2","All.Compound.Names":"Diclofenac sodium|Diclofenac sodium salt|Dtxsid3037208|15307-79-6","logHenry":-9.804,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7004,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.597,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.211,"logWSol.Reference":"EPA-CCD-OPERA","MP":283.9,"MP.Reference":"EPA-CCD-OPERA","MW":318.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"55.9,31.1,100","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"38.84","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0.004131,0.002519,0.005743","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"15307-79-6"}
{"Compound":"Allopurinol","CAS":"315-30-0","CAS.Checksum":true,"DTXSID":"DTXSID4022573","Formula":"C5H4N4O","All.Compound.Names":"Allopurinol|315-30-0|Dtxsid4022573","logHenry":-6.952,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.5,"logMA.Reference":"Endo 2011","logP":-0.5501,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.346,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.333,"logWSol.Reference":"EPA-CCD-OPERA","MP":349.9,"MP.Reference":"EPA-CCD-OPERA","MW":136.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.83","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.3","pKa_Donor.Reference":"Jones 2002","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.99,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.6,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.97","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.09,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"315-30-0"}
{"Compound":"Aspirin","CAS":"50-78-2","CAS.Checksum":true,"DTXSID":"DTXSID5020108","Formula":"C9H8O4","All.Compound.Names":"Aspirin|Acetylsalicylic acid|50-78-2|Dtxsid5020108","logHenry":-8.083,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.4,"logMA.Reference":"Endo 2011","logP":1.193,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.56,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.637,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.6,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.45,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"14,6.24,31.7","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"8.57,0,234,0.0924","Human.Clint.pValue":0.09244,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.485,"Human.Foral.Reference":"Musther 2014","Human.Funbound.plasma":"0.532,0.246,0.986","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":0.8138,"Human.Rblood2plasma.Reference":"TNO","Rat.Foral":0.35,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"50-78-2"}
{"Compound":"Naloxone","CAS":"465-65-6","CAS.Checksum":true,"DTXSID":"DTXSID8023349","Formula":"C19H21NO4","All.Compound.Names":"Naloxone|Naloxon|465-65-6|Dtxsid8023349","logHenry":-9.718,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.088,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.284,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.562,"logWSol.Reference":"EPA-CCD-OPERA","MP":224.9,"MP.Reference":"EPA-CCD-OPERA","MW":327.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.54","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.07,13.59","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat|Mouse","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"28.2,12.5,63.5","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"65.03","Human.Clint.Reference":"Wood 2017","Human.Foral":0.2,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.559","Human.Funbound.plasma.Reference":"Shibata 2002","Human.Rblood2plasma":1.22,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Mouse.Foral":0.003,"Mouse.Foral.Reference":"Musther 2014","Rat.Clint":"265.2","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.62","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"465-65-6"}
{"Compound":"Buspirone","CAS":"36505-84-7","CAS.Checksum":true,"DTXSID":"DTXSID2022707","Formula":"C21H31N5O2","All.Compound.Names":"Buspirone|36505-84-7|Dtxsid2022707","logHenry":-7.49,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.629,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.051,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.029,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.4,"MP.Reference":"EPA-CCD-OPERA","MW":385.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"28.4,15.8,51.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"7.66","Human.Clint.Reference":"Shibata 2002","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Shibata 2002","Human.Rblood2plasma":0.81,"Human.Rblood2plasma.Reference":"Shibata 2002","Chemical.Class":"","_row":"36505-84-7"}
{"Compound":"Lidocaine","CAS":"137-58-6","CAS.Checksum":true,"DTXSID":"DTXSID1045166","Formula":"C14H22N2O","All.Compound.Names":"Lidocaine|Lignocaine|137-58-6|Dtxsid1045166","logHenry":-9.71,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.8,"logMA.Reference":"Pearce 2017","logP":2.351,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.938,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.757,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.46,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog|Monkey","Dog.Foral":0.31,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"61.7,27.4,139","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"5.062","Human.Clint.Reference":"Wood 2017","Human.Foral":0.8,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.296","Human.Funbound.plasma.Reference":"Shibata 2002","Human.Rblood2plasma":0.84,"Human.Rblood2plasma.Reference":"Shibata 2002","Monkey.Foral":0.25,"Monkey.Foral.Reference":"Musther 2014","Rat.Foral":0.071,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.38","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1.27,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"137-58-6"}
{"Compound":"Metoprolol","CAS":"51384-51-1","CAS.Checksum":true,"DTXSID":"DTXSID2023309","Formula":"C15H25NO3","All.Compound.Names":"Metoprolol|51384-51-1|Dtxsid2023309","logHenry":-7.568,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.881,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.518,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.203,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.65,"MP.Reference":"EPA-CCD-OPERA","MW":267.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.43","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.09","pKa_Donor.Reference":"Pearce 2017","All.Species":"Human|Rat|Monkey","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"22.6,10,50.8","Human.Caco2.Pab.Reference":"Lanevskij,ChEMBL","Human.Clint":"6.231","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.98,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.84,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.46,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.883","Human.Funbound.plasma.Reference":"Shibata 2002","Human.Rblood2plasma":1.07,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Monkey.Foral":0.25,"Monkey.Foral.Reference":"Musther 2014","Rat.Clint":"21.04","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.7","Rat.Funbound.plasma.Reference":"Honda 2019","Rat.Rblood2plasma":1.24,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"51384-51-1"}
{"Compound":"Timolol","CAS":"26839-75-8","CAS.Checksum":true,"DTXSID":"DTXSID4023674","Formula":"C13H24N4O3S","All.Compound.Names":"Timolol|Timolol-s|(s)-timolol|26839-75-8|Dtxsid4023674","logHenry":-8.802,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.5,"logMA.Reference":"Pearce 2017","logP":1.831,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.413,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.658,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.9,"MP.Reference":"EPA-CCD-OPERA","MW":316.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.29,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"4.68,2.08,10.5","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"3.816","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.99,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.69,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.61,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.4","Human.Funbound.plasma.Reference":"Shibata 2002","Human.Rblood2plasma":0.84,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Rat.Funbound.plasma":"0.63","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"26839-75-8"}
{"Compound":"Antipyrine","CAS":"60-80-0","CAS.Checksum":true,"DTXSID":"DTXSID6021117","Formula":"C11H12N2O","All.Compound.Names":"Antipyrine|Phenazone|60-80-0|Dtxsid6021117","logHenry":-5.576,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3107,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.021,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.05585,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.8,"MP.Reference":"EPA-CCD-OPERA","MW":188.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.73,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"37,20.6,66.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0.5062","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.97,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.03,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.97,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.97","Human.Funbound.plasma.Reference":"Shibata 2002","Human.Rblood2plasma":0.5602,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"0.8958","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.596","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"60-80-0"}
{"Compound":"Propranolol","CAS":"525-66-6","CAS.Checksum":true,"DTXSID":"DTXSID6023525","Formula":"C16H21NO2","All.Compound.Names":"Propranolol|Propanolol|Propanolol (propranolol)|525-66-6|Dtxsid6023525","logHenry":-8.846,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3,"logMA.Reference":"Pearce 2017","logP":3.475,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.924,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.228,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.3,"MP.Reference":"EPA-CCD-OPERA","MW":259.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.1084,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"38.3,17,86.3","Human.Caco2.Pab.Reference":"ChEMBL,Obringer,Lanevskij","Human.Clint":"14.67","Human.Clint.Reference":"Paini 2020","Human.Fabs":0.99,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.5,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.53,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.282,0.236,0.338","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":0.86,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Rat.Clint":"363.8","Rat.Clint.Reference":"Wood 2017","Rat.Foral":0.19,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.1","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.78,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"525-66-6"}
{"Compound":"Phenacetin","CAS":"62-44-2","CAS.Checksum":true,"DTXSID":"DTXSID1021116","Formula":"C10H13NO2","All.Compound.Names":"Phenacetin|62-44-2|Dtxsid1021116","logHenry":-8.945,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.58,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.004,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.37,"logWSol.Reference":"EPA-CCD-OPERA","MP":137,"MP.Reference":"EPA-CCD-OPERA","MW":179.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"13.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"41.9,23.3,75.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"9.346","Human.Clint.Reference":"Wood 2017","Human.Foral":0.91,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.6","Human.Funbound.plasma.Reference":"Shibata 2002","Human.Rblood2plasma":1.01,"Human.Rblood2plasma.Reference":"Shibata 2002","Rat.Clint":"15.4","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.413","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"62-44-2"}
{"Compound":"Furosemide","CAS":"54-31-9","CAS.Checksum":true,"DTXSID":"DTXSID6020648","Formula":"C12H11ClN2O5S","All.Compound.Names":"Furosemide|54-31-9|Dtxsid6020648","logHenry":-9.601,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.029,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.213,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.876,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.4,"MP.Reference":"EPA-CCD-OPERA","MW":330.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.465,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.199,0.0491,0.807","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.61,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.86,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.97,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.46,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.012","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.289,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"54-31-9"}
{"Compound":"Theophylline","CAS":"58-55-9","CAS.Checksum":true,"DTXSID":"DTXSID5021336","Formula":"C7H8N4O2","All.Compound.Names":"Theophylline|Theophyline|58-55-9|Dtxsid5021336","logHenry":-8.562,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.02058,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.64,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.38,"logWSol.Reference":"EPA-CCD-OPERA","MP":272.8,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.19","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.82","pKa_Donor.Reference":"Pearce 2017","All.Species":"Human|Rat|Dog|Monkey","Dog.Foral":0.94,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"23,12.8,41.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0.7788","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.99,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.97,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.98,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.61","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.33,"Human.Rblood2plasma.Reference":"Paixao 2012","Monkey.Foral":0.949,"Monkey.Foral.Reference":"Musther 2014","Rat.Foral":0.772,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"58-55-9"}
{"Compound":"Terbutaline","CAS":"23031-25-6","CAS.Checksum":true,"DTXSID":"DTXSID7021310","Formula":"C12H19NO3","All.Compound.Names":"Terbutaline|23031-25-6|Dtxsid7021310","logHenry":-10.46,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9019,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.504,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.334,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.2,"MP.Reference":"EPA-CCD-OPERA","MW":225.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.51","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.86,10.64,14.35","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.742,0.146,3.77","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"0","Human.Clint.Reference":"Lau2002","Human.Fabs":0.62,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.27,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.95,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.28,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.75","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"23031-25-6"}
{"Compound":"Lorazepam","CAS":"846-49-1","CAS.Checksum":true,"DTXSID":"DTXSID7023225","Formula":"C15H10Cl2N2O2","All.Compound.Names":"Lorazepam|846-49-1|Dtxsid7023225","logHenry":-9.204,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.389,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.94,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.605,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.1,"MP.Reference":"EPA-CCD-OPERA","MW":321.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.7399","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.97,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.96,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.98,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.09","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.05,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"846-49-1"}
{"Compound":"Oxazepam","CAS":"604-75-1","CAS.Checksum":true,"DTXSID":"DTXSID1021087","Formula":"C15H11ClN2O2","All.Compound.Names":"Oxazepam|604-75-1|Dtxsid1021087","logHenry":-9.776,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.239,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.992,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.952,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.5,"MP.Reference":"EPA-CCD-OPERA","MW":286.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Mouse|Rat|Dog","Dog.Foral":0.221,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"41.8,23.2,75.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"3.271","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.93,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.04","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.66,"Human.Rblood2plasma.Reference":"Paixao 2012","Mouse.Foral":0.7225,"Mouse.Foral.Reference":"Musther 2014","Rat.Foral":0.4,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"604-75-1"}
{"Compound":"Sulpiride","CAS":"15676-16-1","CAS.Checksum":true,"DTXSID":"DTXSID1042574","Formula":"C15H23N3O4S","All.Compound.Names":"Sulpiride|(rs)-(+/-)-sulpiride|15676-16-1|Dtxsid1042574","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5712,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.751,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.876,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.9,"MP.Reference":"EPA-CCD-OPERA","MW":341.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.02","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.24,13.51","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat|Dog","Dog.Foral":0.825,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.131,0.0322,0.529","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0","Human.Clint.Reference":"Lau2002","Human.Fabs":0.44,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.62,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.29,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.1342,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"15676-16-1"}
{"Compound":"Sildenafil","CAS":"139755-83-2","CAS.Checksum":true,"DTXSID":"DTXSID6023579","Formula":"C22H30N6O4S","All.Compound.Names":"Sildenafil|139755-83-2|Dtxsid6023579","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.749,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.51,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.739,"logWSol.Reference":"EPA-CCD-OPERA","MP":237.5,"MP.Reference":"EPA-CCD-OPERA","MW":474.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Mouse|Rat|Dog","Dog.Foral":0.54,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9.346","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.92,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.74,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.6,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.57,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.04","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.99,"Human.Rblood2plasma.Reference":"Paixao 2012","Mouse.Foral":0.17,"Mouse.Foral.Reference":"Musther 2014","Rat.Foral":0.335,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"139755-83-2"}
{"Compound":"Nifedipine","CAS":"21829-25-4","CAS.Checksum":true,"DTXSID":"DTXSID2025715","Formula":"C17H18N2O6","All.Compound.Names":"Nifedipine|21829-25-4|Dtxsid2025715","logHenry":-7.884,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.531,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.873,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.758,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.9,"MP.Reference":"EPA-CCD-OPERA","MW":346.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Monkey","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"23.36","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.73,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.68,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.64,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.044","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.63,"Human.Rblood2plasma.Reference":"Paixao 2012","Monkey.Foral":0.093,"Monkey.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"21829-25-4"}
{"Compound":"Methylprednisolone","CAS":"83-43-2","CAS.Checksum":true,"DTXSID":"DTXSID7023300","Formula":"C22H30O5","All.Compound.Names":"Methylprednisolone|83-43-2|Dtxsid7023300","logHenry":-11.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.721,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.585,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.368,"logWSol.Reference":"EPA-CCD-OPERA","MP":232.4,"MP.Reference":"EPA-CCD-OPERA","MW":374.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.452","Human.Clint.Reference":"Wood 2017","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.23","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.78,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.351,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"83-43-2"}
{"Compound":"Prednisolone","CAS":"50-24-8","CAS.Checksum":true,"DTXSID":"DTXSID9021184","Formula":"C21H28O5","All.Compound.Names":"Prednisolone|50-24-8|Dtxsid9021184","logHenry":-11.04,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.9,"logMA.Reference":"Schmitt 2008","logP":1.62,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.677,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.204,"logWSol.Reference":"EPA-CCD-OPERA","MP":225,"MP.Reference":"EPA-CCD-OPERA","MW":360.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rabbit|Dog","Dog.Foral":0.55,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"6.88,3.83,12.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"5.841","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.99,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.84,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.9,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.82,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.25","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Rabbit.Funbound.plasma":"0.23","Rabbit.Funbound.plasma.Reference":"Schmitt 2008","Chemical.Class":"","_row":"50-24-8"}
{"Compound":"(+)-Diltiazem","CAS":"42399-41-7","CAS.Checksum":true,"DTXSID":"DTXSID9022940","Formula":"C22H26N2O4S","All.Compound.Names":"Diltiazem|(+)-diltiazem|42399-41-7|Dtxsid9022940","logHenry":-8.754,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.702,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.981,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.956,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.6,"MP.Reference":"EPA-CCD-OPERA","MW":414.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.83","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.86","pKa_Donor.Reference":"Pearce 2017","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"13.63","Human.Clint.Reference":"Wood 2017","Human.Foral":0.88,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.198","Human.Funbound.plasma.Reference":"Ito 2004","Human.Rblood2plasma":0.98,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Rat.Clint":"682.7","Rat.Clint.Reference":"Wood 2017","Rat.Foral":0.1709,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.18","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.93,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"42399-41-7"}
{"Compound":"Chlorprothixene","CAS":"113-59-7","CAS.Checksum":true,"DTXSID":"DTXSID4022810","Formula":"C18H18ClNS","All.Compound.Names":"Chlorprothixene|113-59-7|Dtxsid4022810","logHenry":-6.23,"logHenry.Reference":"OPERA29","logP":5.18,"logP.Reference":"OPERA29","logWSol":-6.75,"logWSol.Reference":"OPERA29","MP":98,"MP.Reference":"OPERA29","MW":315.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.76","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"7.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"14","Human.Clint.Reference":"Lau2002","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Paixao 2012","Human.Rblood2plasma":0.81,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"113-59-7"}
{"Compound":"Fk1052","CAS":"129299-72-5","CAS.Checksum":true,"DTXSID":"DTXSID50861300","Formula":"C18H19N3O","All.Compound.Names":"Fk1052|Fk 1052|Dtxsid50861300|129299-72-5","logHenry":-9.362,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.179,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.267,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.02,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.9,"MP.Reference":"EPA-CCD-OPERA","MW":293.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.558","Human.Clint.Reference":"Naritomi 2003","Human.Funbound.plasma":"0.016","Human.Funbound.plasma.Reference":"Naritomi 2003","Human.Rblood2plasma":0.78,"Human.Rblood2plasma.Reference":"Naritomi 2003","Rat.Clint":"132.3","Rat.Clint.Reference":"Naritomi 2003","Rat.Foral":0.95,"Rat.Foral.Reference":"Naritomi 2003","Rat.Funbound.plasma":"0.03","Rat.Funbound.plasma.Reference":"Naritomi 2003","Rat.Rblood2plasma":1.21,"Rat.Rblood2plasma.Reference":"Naritomi 2003","Chemical.Class":"","_row":"129299-72-5"}
{"Compound":"Fk480","CAS":"150408-73-4","CAS.Checksum":true,"DTXSID":"DTXSID8048785","Formula":"C26H19FN4O2","All.Compound.Names":"Fk480|Pranazepide|Dtxsid8048785|150408-73-4","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.145,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.538,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.659,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.9,"MP.Reference":"EPA-CCD-OPERA","MW":438.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.04","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.236","Human.Clint.Reference":"Naritomi 2003","Human.Funbound.plasma":"0.005","Human.Funbound.plasma.Reference":"Naritomi 2003","Human.Rblood2plasma":0.6,"Human.Rblood2plasma.Reference":"Naritomi 2003","Rat.Clint":"47.08","Rat.Clint.Reference":"Naritomi 2003","Rat.Foral":0.7,"Rat.Foral.Reference":"Naritomi 2003","Rat.Funbound.plasma":"0.01","Rat.Funbound.plasma.Reference":"Naritomi 2003","Rat.Rblood2plasma":0.626,"Rat.Rblood2plasma.Reference":"Naritomi 2003","Chemical.Class":"","_row":"150408-73-4"}
{"Compound":"Quinotolast","CAS":"101193-40-2","CAS.Checksum":true,"DTXSID":"DTXSID40143768","Formula":"C17H12N6O3","All.Compound.Names":"Quinotolast|Dtxsid40143768|101193-40-2","logHenry":-10.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6311,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.924,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.741,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.8,"MP.Reference":"EPA-CCD-OPERA","MW":348.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.85","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.Reference":"Naritomi 2003","Human.Funbound.plasma":"0.0191","Human.Funbound.plasma.Reference":"Naritomi 2003","Human.Rblood2plasma":0.59,"Human.Rblood2plasma.Reference":"Naritomi 2003","Rat.Clint":"12.08","Rat.Clint.Reference":"Wood 2017","Rat.Foral":0,"Rat.Foral.Reference":"Naritomi 2003","Rat.Funbound.plasma":"0.33","Rat.Funbound.plasma.Reference":"Naritomi 2003","Rat.Rblood2plasma":0.65,"Rat.Rblood2plasma.Reference":"Naritomi 2003","Chemical.Class":"","_row":"101193-40-2"}
{"Compound":"Troglitazone","CAS":"97322-87-7","CAS.Checksum":true,"DTXSID":"DTXSID8023719","Formula":"C24H27NO5S","All.Compound.Names":"Troglitazone|97322-87-7|Dtxsid8023719","logHenry":-8.249,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.36,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.316,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.873,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.8,"MP.Reference":"EPA-CCD-OPERA","MW":441.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"21.85","Human.Clint.Reference":"Naritomi 2003","Human.Foral":0.45,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.000941","Human.Funbound.plasma.Reference":"Naritomi 2003","Human.Rblood2plasma":0.548,"Human.Rblood2plasma.Reference":"Naritomi 2003","Rat.Clint":"891","Rat.Clint.Reference":"Wood 2017","Rat.Foral":0.718,"Rat.Foral.Reference":"Naritomi 2003","Rat.Funbound.plasma":"0.000921","Rat.Funbound.plasma.Reference":"Naritomi 2003","Rat.Rblood2plasma":0.594,"Rat.Rblood2plasma.Reference":"Naritomi 2003","Chemical.Class":"","_row":"97322-87-7"}
{"Compound":"Bromocriptine","CAS":"25614-03-3","CAS.Checksum":true,"DTXSID":"DTXSID1022687","Formula":"C32H40BrN5O5","All.Compound.Names":"Bromocriptine|25614-03-3|Dtxsid1022687","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.686,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.894,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.484,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.2,"MP.Reference":"EPA-CCD-OPERA","MW":654.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.96","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.68,11.13;14.95","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"37","Human.Clint.Reference":"McGinnity 2004","Human.Foral":0.07,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.07","Human.Funbound.plasma.Reference":"Paixao 2012","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"25614-03-3"}
{"Compound":"Cyclosporin a","CAS":"59865-13-3","CAS.Checksum":true,"DTXSID":"DTXSID0020365","Formula":"C62H111N11O12","All.Compound.Names":"Cyclosporin a|Cyclosporine|Cyclosporine a|59865-13-3|Dtxsid0020365","logHenry":-10.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.92,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.712,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.739,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.5,"MP.Reference":"EPA-CCD-OPERA","MW":1203,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.4,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.67,1.63,8.27","Human.Caco2.Pab.Reference":"Lanevskij,ChEMBL","Human.Clint":"8.591","Human.Clint.Reference":"Paini 2020","Human.Fabs":0.86,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.48,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.68,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.3,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0,0,0","Human.Funbound.plasma.Reference":"Paini 2020","Human.Rblood2plasma":1.283,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"0","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Honda 2019","Rat.Rblood2plasma":1.28,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"59865-13-3"}
{"Compound":"Ethinylestradiol","CAS":"57-63-6","CAS.Checksum":true,"DTXSID":"DTXSID5020576","Formula":"C20H24O2","All.Compound.Names":"Ethinylestradiol|17?-ethynylestradiol|17alpha-ethinylestradiol|57-63-6|Dtxsid5020576","logHenry":-7.025,"logHenry.Reference":"EPA-CCD-OPERA","logMA":4.2,"logMA.Reference":"Endo 2011","logP":3.669,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.529,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.405,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.1,"MP.Reference":"EPA-CCD-OPERA","MW":296.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog|Monkey","Dog.Foral":0.08143,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,7.52,0.93","Human.Clint.pValue":0.9299,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.4,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.014","Human.Funbound.plasma.Reference":"Lombardo 2018","Monkey.Foral":0.006,"Monkey.Foral.Reference":"Musther 2014","Rat.Foral":0.03,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"57-63-6"}
{"Compound":"Famotidine","CAS":"76824-35-6","CAS.Checksum":true,"DTXSID":"DTXSID5023039","Formula":"C8H15N7O2S3","All.Compound.Names":"Famotidine|76824-35-6|Dtxsid5023039","logHenry":-9.979,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.3,"logMA.Reference":"Endo 2011","logP":-0.6389,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.57,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.5,"MP.Reference":"EPA-CCD-OPERA","MW":337.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.71","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.74","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.891,0.176,4.53","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"0","Human.Clint.Reference":"McGinnity 2004","Human.Foral":0.51,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.84","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"76824-35-6"}
{"Compound":"Isradipine","CAS":"75695-93-1","CAS.Checksum":true,"DTXSID":"DTXSID4023179","Formula":"C19H21N3O5","All.Compound.Names":"Isradipine|75695-93-1|Dtxsid4023179","logHenry":-7.956,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.277,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.527,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.819,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.2,"MP.Reference":"EPA-CCD-OPERA","MW":371.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"18","Human.Clint.Reference":"McGinnity 2004","Human.Foral":0.89,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.04","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"75695-93-1"}
{"Compound":"Nitrendipine","CAS":"39562-70-4","CAS.Checksum":true,"DTXSID":"DTXSID0023373","Formula":"C18H20N2O6","All.Compound.Names":"Nitrendipine|39562-70-4|Dtxsid0023373","logHenry":-7.887,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.88,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.298,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.251,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.5,"MP.Reference":"EPA-CCD-OPERA","MW":360.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.29,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"17,7.54,38.3","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"12.07","Human.Clint.Reference":"Wood 2017","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.7,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.12,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.04","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1.46,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"39562-70-4"}
{"Compound":"Omeprazole","CAS":"73590-58-6","CAS.Checksum":true,"DTXSID":"DTXSID6021080","Formula":"C17H19N3O3S","All.Compound.Names":"Omeprazole|73590-58-6|Dtxsid6021080","logHenry":-5.447,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.231,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.055,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.521,"logWSol.Reference":"EPA-CCD-OPERA","MP":156,"MP.Reference":"EPA-CCD-OPERA","MW":345.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.41","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.6","pKa_Donor.Reference":"Pearce 2017","All.Species":"Human|Rat|Dog","Dog.Foral":0.15,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.271","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.87,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.64,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.16","Human.Funbound.plasma.Reference":"Ito 2004","Human.Rblood2plasma":0.58,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.193,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.13","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.66,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"73590-58-6"}
{"Compound":"Prazosin","CAS":"19216-56-9","CAS.Checksum":true,"DTXSID":"DTXSID4049082","Formula":"C19H21N5O4","All.Compound.Names":"Prazosin|19216-56-9|Dtxsid4049082","logHenry":-10.68,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.363,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.897,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.683,"logWSol.Reference":"EPA-CCD-OPERA","MP":278.9,"MP.Reference":"EPA-CCD-OPERA","MW":383.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.305,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"43.6,19.4,98.4","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"3.349","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.86,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.98,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.8,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.86,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.06","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.7,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Clint":"8.542","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.33","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"19216-56-9"}
{"Compound":"Propofol","CAS":"2078-54-8","CAS.Checksum":true,"DTXSID":"DTXSID6023523","Formula":"C12H18O","All.Compound.Names":"Propofol|Dtxsid6023523|2078-54-8","logHenry":-5.799,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.791,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.591,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.161,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.11,"MP.Reference":"EPA-CCD-OPERA","MW":178.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"107","Human.Clint.Reference":"McGinnity 2004","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.016","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.25,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Funbound.plasma":"0.03","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"2078-54-8"}
{"Compound":"Ritonavir","CAS":"155213-67-5","CAS.Checksum":true,"DTXSID":"DTXSID1048627","Formula":"C37H48N6O5S2","All.Compound.Names":"Ritonavir|155213-67-5|Dtxsid1048627","logHenry":-9.942,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.47,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.096,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.467,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.4,"MP.Reference":"EPA-CCD-OPERA","MW":721,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"7.94,3.53,17.9","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"8.567","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.7,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.05,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.95,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.7,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.015","Human.Funbound.plasma.Reference":"Wood 2017","Human.Rblood2plasma":0.59,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Rat.Clint":"1505","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.04","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"155213-67-5"}
{"Compound":"Temazepam","CAS":"846-50-4","CAS.Checksum":true,"DTXSID":"DTXSID8021309","Formula":"C16H13ClN2O2","All.Compound.Names":"Temazepam|846-50-4|Dtxsid8021309","logHenry":-9.025,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.192,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.778,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.421,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.1,"MP.Reference":"EPA-CCD-OPERA","MW":300.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.19","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.68","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.336","Human.Clint.Reference":"Wood 2017","Human.Foral":0.91,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.017","Human.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"846-50-4"}
{"Compound":"Zileuton","CAS":"111406-87-2","CAS.Checksum":true,"DTXSID":"DTXSID9023752","Formula":"C11H12N2O2S","All.Compound.Names":"Zileuton|Dtxsid9023752|111406-87-2","logHenry":-8.877,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1828,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.921,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.996,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.9,"MP.Reference":"EPA-CCD-OPERA","MW":236.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-1.2","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.84","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.298","Human.Clint.Reference":"Wood 2017","Human.Funbound.plasma":"0.07","Human.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"111406-87-2"}
{"Compound":"Acebutolol","CAS":"37517-30-9","CAS.Checksum":true,"DTXSID":"DTXSID2048539","Formula":"C18H28N2O4","All.Compound.Names":"Acebutolol|37517-30-9|Dtxsid2048539","logHenry":-9.059,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.71,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.599,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.199,"logWSol.Reference":"EPA-CCD-OPERA","MP":121,"MP.Reference":"EPA-CCD-OPERA","MW":336.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.59","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"4.79,2.12,10.8","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"1.986","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.82,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.68,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.46,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.74","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.61,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"37517-30-9"}
{"Compound":"Bepridil","CAS":"64706-54-3","CAS.Checksum":true,"DTXSID":"DTXSID3022663","Formula":"C24H34N2O","All.Compound.Names":"Bepridil|64706-54-3|Dtxsid3022663","logHenry":-5.46,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.242,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.589,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.3,"MP.Reference":"EPA-CCD-OPERA","MW":366.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2","Human.Clint.Reference":"McGinnity 2004","Human.Foral":0.99,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.001","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.67,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"64706-54-3"}
{"Compound":"Betaxolol","CAS":"63659-18-7","CAS.Checksum":true,"DTXSID":"DTXSID2022674","Formula":"C18H29NO3","All.Compound.Names":"Betaxolol|63659-18-7|Dtxsid2022674","logHenry":-7.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.81,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.386,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.933,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.14,"MP.Reference":"EPA-CCD-OPERA","MW":307.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.92","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.09","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.142","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.88,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.4","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Funbound.plasma":"0.59","Rat.Funbound.plasma.Reference":"Uchimura 2010","Rat.Rblood2plasma":0.79,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"63659-18-7"}
{"Compound":"Bisoprolol","CAS":"66722-44-9","CAS.Checksum":true,"DTXSID":"DTXSID6022682","Formula":"C18H31NO4","All.Compound.Names":"Bisoprolol|66722-44-9|Dtxsid6022682","logHenry":-8.118,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.873,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.323,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.034,"logWSol.Reference":"EPA-CCD-OPERA","MP":100,"MP.Reference":"EPA-CCD-OPERA","MW":325.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.4","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.09","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.6","Human.Clint.Reference":"McGinnity 2004","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.95,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.94,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.97,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.66","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Funbound.plasma":"0.85","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.58,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"66722-44-9"}
{"Compound":"Carvedilol","CAS":"72956-09-3","CAS.Checksum":true,"DTXSID":"DTXSID8022747","Formula":"C24H26N2O4","All.Compound.Names":"Carvedilol|72956-09-3|Dtxsid8022747","logHenry":-9.988,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.188,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.227,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.739,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.6,"MP.Reference":"EPA-CCD-OPERA","MW":406.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.83","pKa_Accept.Reference":"NA","pKa_Donor":"8.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"98.52","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.65,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.58,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.67,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.62,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.72,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"72956-09-3"}
{"Compound":"Chlorpheniramine","CAS":"132-22-9","CAS.Checksum":true,"DTXSID":"DTXSID0022804","Formula":"C16H19ClN2","All.Compound.Names":"Chlorpheniramine|132-22-9|Dtxsid0022804","logHenry":-4.974,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.38,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.403,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.7,"MP.Reference":"EPA-CCD-OPERA","MW":274.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.094,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.882","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.94,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.48,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.91,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.63,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.7","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.34,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"132-22-9"}
{"Compound":"Codeine","CAS":"76-57-3","CAS.Checksum":true,"DTXSID":"DTXSID2020341","Formula":"C18H21NO3","All.Compound.Names":"Codeine|76-57-3|Dtxsid2020341","logHenry":-8.085,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.14,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.17,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.524,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.6,"MP.Reference":"EPA-CCD-OPERA","MW":299.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"24.53","Human.Clint.Reference":"Wood 2017","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Ito 2004","Chemical.Class":"","_row":"76-57-3"}
{"Compound":"Dextromethorphan","CAS":"125-71-3","CAS.Checksum":true,"DTXSID":"DTXSID3022908","Formula":"C18H25NO","All.Compound.Names":"Dextromethorphan|125-71-3|Dtxsid3022908","logHenry":-5.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.983,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.74,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.99,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.2,"MP.Reference":"EPA-CCD-OPERA","MW":271.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"18.3,8.11,41.2","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"52.64","Human.Clint.Reference":"Brown 2007","Human.Foral":0.11,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.45","Human.Funbound.plasma.Reference":"Ito 2004","Rat.Clint":"145","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.45","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"125-71-3"}
{"Compound":"Doxepin","CAS":"1668-19-5","CAS.Checksum":true,"DTXSID":"DTXSID7022966","Formula":"C19H21NO","All.Compound.Names":"Doxepin|1668-19-5|Dtxsid7022966","logHenry":-7.737,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.287,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.607,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.766,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.9,"MP.Reference":"EPA-CCD-OPERA","MW":279.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.11","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"13","Human.Clint.Reference":"McGinnity 2004","Human.Foral":0.3,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.2","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1668-19-5"}
{"Compound":"Fluoxetine","CAS":"54910-89-3","CAS.Checksum":true,"DTXSID":"DTXSID7023067","Formula":"C17H18F3NO","All.Compound.Names":"Fluoxetine|54910-89-3|Dtxsid7023067","logHenry":-7.506,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3,"logMA.Reference":"Endo 2011","logP":4.051,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.743,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.712,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.3,"MP.Reference":"EPA-CCD-OPERA","MW":309.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"12.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1","Human.Clint.Reference":"McGinnity 2004","Human.Foral":0.6,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.13","Human.Funbound.plasma.Reference":"Uchimura 2010","Human.Rblood2plasma":0.83,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Funbound.plasma":"0.13","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.83,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"54910-89-3"}
{"Compound":"Granisetron","CAS":"109889-09-0","CAS.Checksum":true,"DTXSID":"DTXSID0023111","Formula":"C18H24N4O","All.Compound.Names":"Granisetron|109889-09-0|Dtxsid0023111","logHenry":-9.812,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.653,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.007,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.382,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.1,"MP.Reference":"EPA-CCD-OPERA","MW":312.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.03","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.2","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7.009","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.99,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.65,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.35","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.86,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Clint":"62.92","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.61","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"109889-09-0"}
{"Compound":"Morphine","CAS":"57-27-2","CAS.Checksum":true,"DTXSID":"DTXSID9023336","Formula":"C17H19NO3","All.Compound.Names":"Morphine|57-27-2|Dtxsid9023336","logHenry":-10.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8919,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.279,"logWSol.Reference":"EPA-CCD-OPERA","MP":254.8,"MP.Reference":"EPA-CCD-OPERA","MW":285.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.06","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.26,13.78","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat|Dog","Dog.Foral":0.196,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"16.6,7.37,37.4","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"24","Human.Clint.Reference":"McGinnity 2004","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.65","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.95,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.1213,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.72","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"57-27-2"}
{"Compound":"Nadolol","CAS":"42200-33-9","CAS.Checksum":true,"DTXSID":"DTXSID3023342","Formula":"C17H27NO4","All.Compound.Names":"Nadolol|42200-33-9|Dtxsid3023342","logHenry":-7.984,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8102,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.585,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.361,"logWSol.Reference":"EPA-CCD-OPERA","MP":130,"MP.Reference":"EPA-CCD-OPERA","MW":309.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.8","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.01,0.45,2.29","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"3.193","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.57,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.63,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.95,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.35,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.14","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Funbound.plasma":"0.9","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.85,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"42200-33-9"}
{"Compound":"Ondansetron","CAS":"99614-02-5","CAS.Checksum":true,"DTXSID":"DTXSID8023393","Formula":"C18H19N3O","All.Compound.Names":"Ondansetron|99614-02-5|Dtxsid8023393","logHenry":-8.127,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.497,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.203,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.92,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.9,"MP.Reference":"EPA-CCD-OPERA","MW":293.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.402","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.82,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.76,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.94,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.25","Human.Funbound.plasma.Reference":"Ito 2004","Human.Rblood2plasma":0.83,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Rat.Foral":0.09834,"Rat.Foral.Reference":"Wambaugh 2018","Chemical.Class":"","_row":"99614-02-5"}
{"Compound":"Pindolol","CAS":"13523-86-9","CAS.Checksum":true,"DTXSID":"DTXSID8023476","Formula":"C14H20N2O2","All.Compound.Names":"Pindolol|13523-86-9|Dtxsid8023476","logHenry":-7.141,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.751,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.465,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.672,"logWSol.Reference":"EPA-CCD-OPERA","MP":171,"MP.Reference":"EPA-CCD-OPERA","MW":248.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.32","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.09","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat|Mouse|Dog|Monkey","Dog.Foral":0.85,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.531","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.04,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.83,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.93,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.58","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Paixao 2012","Monkey.Foral":0.85,"Monkey.Foral.Reference":"Musther 2014","Mouse.Foral":0.8,"Mouse.Foral.Reference":"Musther 2014","Rat.Clint":"52.29","Rat.Clint.Reference":"Wood 2017","Rat.Foral":0.73,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.64","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"13523-86-9"}
{"Compound":"Pirenzepine","CAS":"28797-61-7","CAS.Checksum":true,"DTXSID":"DTXSID7023487","Formula":"C19H21N5O2","All.Compound.Names":"Pirenzepine|28797-61-7|Dtxsid7023487","logHenry":-10.95,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.438,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.9,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.803,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.5,"MP.Reference":"EPA-CCD-OPERA","MW":351.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.60,0.94","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"7.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.Reference":"McGinnity 2004","Human.Foral":0.34,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.89","Human.Funbound.plasma.Reference":"Paixao 2012","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"28797-61-7"}
{"Compound":"Ranitidine","CAS":"66357-35-5","CAS.Checksum":true,"DTXSID":"DTXSID8045191","Formula":"C13H22N4O3S","All.Compound.Names":"Ranitidine|66357-35-5|Dtxsid8045191","logHenry":-8.147,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2691,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.01,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.89,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.55,"MP.Reference":"EPA-CCD-OPERA","MW":314.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.92","pKa_Accept.Reference":"Pearce 2017","pKa_Donor":"7.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.73,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.45,0.111,1.82","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"1.324","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.65,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.9,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.62,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.95","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.03,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Funbound.plasma":"0.77","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"66357-35-5"}
{"Compound":"Scopolamine","CAS":"51-34-3","CAS.Checksum":true,"DTXSID":"DTXSID6023573","Formula":"C17H21NO4","All.Compound.Names":"Scopolamine|51-34-3|Dtxsid6023573","logHenry":-9.308,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9821,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.79,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4901,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.07,"MP.Reference":"EPA-CCD-OPERA","MW":303.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7.399","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.82,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.35,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.9","Human.Funbound.plasma.Reference":"Paixao 2012","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"51-34-3"}
{"Compound":"Triprolidine","CAS":"486-12-4","CAS.Checksum":true,"DTXSID":"DTXSID3023718","Formula":"C19H22N2","All.Compound.Names":"Triprolidine|486-12-4|Dtxsid3023718","logHenry":-7.734,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.919,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.283,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.417,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.12,"MP.Reference":"EPA-CCD-OPERA","MW":278.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.3","Human.Clint.Reference":"McGinnity 2004","Human.Foral":0.04,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"486-12-4"}
{"Compound":"Cetirizine","CAS":"83881-51-0","CAS.Checksum":true,"DTXSID":"DTXSID4022787","Formula":"C21H25ClN2O3","All.Compound.Names":"Cetirizine|83881-51-0|Dtxsid4022787","logHenry":-9.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.703,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.68,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.104,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.7,"MP.Reference":"EPA-CCD-OPERA","MW":388.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.79,2.12","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"3.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.Reference":"McGinnity 2004","Human.Foral":0.86,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Paixao 2012","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"83881-51-0"}
{"Compound":"Alprenolol","CAS":"13655-52-2","CAS.Checksum":true,"DTXSID":"DTXSID0045127","Formula":"C15H23NO2","All.Compound.Names":"Alprenolol|13655-52-2|Dtxsid0045127","logHenry":-5.478,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.097,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.253,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.427,"logWSol.Reference":"EPA-CCD-OPERA","MP":108,"MP.Reference":"EPA-CCD-OPERA","MW":249.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"35.5,15.7,79.9","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"22.98","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.93,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.23,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.37,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.08,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Ito 2004","Chemical.Class":"","_row":"13655-52-2"}
{"Compound":"Aminopyrine","CAS":"58-15-1","CAS.Checksum":true,"DTXSID":"DTXSID7020504","Formula":"C13H17N3O","All.Compound.Names":"Aminopyrine|4-dimethylaminoantipyrine|Dtxsid7020504|58-15-1","logHenry":-6.72,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9955,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.517,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5879,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.3,"MP.Reference":"EPA-CCD-OPERA","MW":231.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"45.6,25.4,82","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"4.1","Human.Clint.Reference":"Ito 2004","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Ito 2004","Chemical.Class":"","_row":"58-15-1"}
{"Compound":"Bosentan","CAS":"147536-97-8","CAS.Checksum":true,"DTXSID":"DTXSID7046627","Formula":"C27H29N5O6S","All.Compound.Names":"Bosentan|147536-97-8|Dtxsid7046627","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.977,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.742,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.358,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.8,"MP.Reference":"EPA-CCD-OPERA","MW":551.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.336","Human.Clint.Reference":"Wood 2017","Human.Foral":0.56,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Ito 2004","Human.Rblood2plasma":0.7079,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"9.375","Rat.Clint.Reference":"Wood 2017","Rat.Foral":0.4073,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.016","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"147536-97-8"}
{"Compound":"Butylbarbitone","CAS":"77-28-1","CAS.Checksum":true,"DTXSID":"DTXSID70227808","Formula":"C10H16N2O3","All.Compound.Names":"Butylbarbitone|Butethal [nf]  |Butethal|Dtxsid70227808|77-28-1","logHenry":-8.448,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.73,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.382,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.79,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.6,"MP.Reference":"EPA-CCD-OPERA","MW":212.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.9","Human.Clint.Reference":"Ito 2004","Human.Funbound.plasma":"0.6","Human.Funbound.plasma.Reference":"Ito 2004","Chemical.Class":"","_row":"77-28-1"}
{"Compound":"Chlordiazepoxide","CAS":"58-25-3","CAS.Checksum":true,"DTXSID":"DTXSID4046022","Formula":"C16H14ClN3O","All.Compound.Names":"Chlordiazepoxide|58-25-3|Dtxsid4046022","logHenry":-9.449,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.439,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.24,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.184,"logWSol.Reference":"EPA-CCD-OPERA","MP":236.1,"MP.Reference":"EPA-CCD-OPERA","MW":299.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"8","Human.Clint.Reference":"Ito 2004","Human.Fabs":0.01,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.15","Human.Funbound.plasma.Reference":"Ito 2004","Rat.Clint":"10.21","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.15","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"58-25-3"}
{"Compound":"Clobazam","CAS":"22316-47-8","CAS.Checksum":true,"DTXSID":"DTXSID2046759","Formula":"C16H13ClN2O2","All.Compound.Names":"Clobazam|22316-47-8|Dtxsid2046759","logHenry":-7.807,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.123,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.573,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.298,"logWSol.Reference":"EPA-CCD-OPERA","MP":141,"MP.Reference":"EPA-CCD-OPERA","MW":300.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.29","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.07","pKa_Donor.Reference":"Pearce 2017","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"27","Human.Clint.Reference":"Ito 2004","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.21","Human.Funbound.plasma.Reference":"Ito 2004","Rat.Clint":"28.54","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.21","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"22316-47-8"}
{"Compound":"Clonazepam","CAS":"1622-61-3","CAS.Checksum":true,"DTXSID":"DTXSID1022845","Formula":"C15H10ClN3O3","All.Compound.Names":"Clonazepam|1622-61-3|Dtxsid1022845","logHenry":-9.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.41,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.277,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.502,"logWSol.Reference":"EPA-CCD-OPERA","MP":237.4,"MP.Reference":"EPA-CCD-OPERA","MW":315.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.89","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"8.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.33,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"15","Human.Clint.Reference":"Ito 2004","Human.Fabs":0.98,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.04,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.96,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.98,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.21","Human.Funbound.plasma.Reference":"Ito 2004","Rat.Clint":"18.54","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.21","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"1622-61-3"}
{"Compound":"Dofetilide","CAS":"115256-11-6","CAS.Checksum":true,"DTXSID":"DTXSID5046433","Formula":"C19H27N3O5S2","All.Compound.Names":"Dofetilide|115256-11-6|Dtxsid5046433","logHenry":-7.883,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.491,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.086,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.046,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.3,"MP.Reference":"EPA-CCD-OPERA","MW":441.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.94","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.15,10.78","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"15.8,7.03,35.7","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"1.9","Human.Clint.Reference":"Pirovano 2016","Human.Fabs":0.96,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.03,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.91,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.47","Human.Funbound.plasma.Reference":"Ito 2004","Human.Rblood2plasma":0.72,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"115256-11-6"}
{"Compound":"Ethoxybenzamide","CAS":"938-73-8","CAS.Checksum":true,"DTXSID":"DTXSID4020581","Formula":"C9H11NO2","All.Compound.Names":"Ethoxybenzamide|2-ethoxybenzamide|Dtxsid4020581|938-73-8","logHenry":-8.441,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.143,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.555,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.857,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.9,"MP.Reference":"EPA-CCD-OPERA","MW":165.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.957","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"10.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.3","Human.Clint.Reference":"Ito 2004","Human.Funbound.plasma":"0.5","Human.Funbound.plasma.Reference":"Ito 2004","Rat.Funbound.plasma":"0.59","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"938-73-8"}
{"Compound":"Ethoxycoumarin","CAS":"65216-93-5","CAS.Checksum":true,"DTXSID":"DTXSID70215523","Formula":"C11H10O3","All.Compound.Names":"Ethoxycoumarin|3-ethoxychromen-2-one|Dtxsid70215523","logHenry":-8.434,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.818,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.749,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.3,"logWSol.Reference":"EPA-CCD-OPERA","MP":117,"MP.Reference":"EPA-CCD-OPERA","MW":190.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"26","Human.Clint.Reference":"Ito 2004","Human.Funbound.plasma":"0.22","Human.Funbound.plasma.Reference":"Ito 2004","Rat.Clint":"58.75","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.22","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"65216-93-5"}
{"Compound":"Felodipine","CAS":"72509-76-3","CAS.Checksum":true,"DTXSID":"DTXSID4023042","Formula":"C18H19Cl2NO4","All.Compound.Names":"Felodipine|72509-76-3|Dtxsid4023042","logHenry":-6.548,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.861,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.352,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.881,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.66,"MP.Reference":"EPA-CCD-OPERA","MW":384.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.17,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"22.9,10.2,51.6","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"0","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.88,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.35,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.52,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.15,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.07","Human.Funbound.plasma.Reference":"Ito 2004","Human.Rblood2plasma":0.7,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Clint":"0","Rat.Clint.Reference":"Wood 2017","Rat.Foral":0.2,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.01","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.68,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"72509-76-3"}
{"Compound":"Flunitrazepam","CAS":"1622-62-4","CAS.Checksum":true,"DTXSID":"DTXSID7023065","Formula":"C16H12FN3O3","All.Compound.Names":"Flunitrazepam|1622-62-4|Dtxsid7023065","logHenry":-9.152,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.5,"logMA.Reference":"Pearce 2017","logP":2.061,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.688,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.356,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.4,"MP.Reference":"EPA-CCD-OPERA","MW":313.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.09","Human.Clint.Reference":"Wood 2017","Human.Foral":0.8,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.25","Human.Funbound.plasma.Reference":"Ito 2004","Rat.Foral":0.69,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.25","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"1622-62-4"}
{"Compound":"Heptabarbitone","CAS":"509-86-4","CAS.Checksum":true,"DTXSID":"DTXSID10198927","Formula":"C13H18N2O3","All.Compound.Names":"Heptabarbitone|Heptabarbital|Dtxsid10198927|509-86-4","logHenry":-8.436,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.03,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.309,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.984,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.8,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"42.7,18.9,96.1","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"29","Human.Clint.Reference":"Ito 2004","Human.Funbound.plasma":"0.62","Human.Funbound.plasma.Reference":"Ito 2004","Chemical.Class":"","_row":"509-86-4"}
{"Compound":"Indinavir","CAS":"150378-17-9","CAS.Checksum":true,"DTXSID":"DTXSID4043802","Formula":"C36H47N5O4","All.Compound.Names":"Indinavir|150378-17-9|Dtxsid4043802","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.49,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.041,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.038,"logWSol.Reference":"EPA-CCD-OPERA","MP":194,"MP.Reference":"EPA-CCD-OPERA","MW":613.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.38","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"8.91,3.96,20.1","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"10.23","Human.Clint.Reference":"Dawson 2021","Human.Foral":0.65,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.3","Human.Funbound.plasma.Reference":"Ito 2004","Rat.Clint":"0","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.4","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"150378-17-9"}
{"Compound":"Ketoconazole","CAS":"65277-42-1","CAS.Checksum":true,"DTXSID":"DTXSID7029879","Formula":"C26H28Cl2N4O4","All.Compound.Names":"Ketoconazole|65277-42-1|Dtxsid7029879","logHenry":-7.355,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.348,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.328,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.802,"logWSol.Reference":"EPA-CCD-OPERA","MP":146,"MP.Reference":"EPA-CCD-OPERA","MW":531.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.69,6.75","pKa_Accept.Reference":"TNO","pKa_Donor":"7.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"21.3,9.47,48.1","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"55","Human.Clint.Reference":"Ito 2004","Human.Foral":0.75,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.062","Human.Funbound.plasma.Reference":"Ito 2004","Human.Rblood2plasma":0.7478,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"65277-42-1"}
{"Compound":"L-738,372","CAS":"159565-60-3","CAS.Checksum":true,"DTXSID":"DTXSID30166683","Formula":"C18H14ClN3O","All.Compound.Names":"L-738,372|L 738372|Dtxsid30166683|159565-60-3","logHenry":-9.841,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.133,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.327,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.997,"logWSol.Reference":"EPA-CCD-OPERA","MP":237.7,"MP.Reference":"EPA-CCD-OPERA","MW":323.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.Reference":"Dawson 2021","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Ito 2004","Chemical.Class":"","_row":"159565-60-3"}
{"Compound":"Loxtidine","CAS":"76956-02-0","CAS.Checksum":true,"DTXSID":"DTXSID0020785","Formula":"C19H29N5O2","All.Compound.Names":"Loxtidine|Dtxsid0020785|76956-02-0","logHenry":-6.982,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.627,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.85,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.522,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.2,"MP.Reference":"EPA-CCD-OPERA","MW":359.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"11","Human.Clint.Reference":"Ito 2004","Human.Funbound.plasma":"0.96","Human.Funbound.plasma.Reference":"Ito 2004","Chemical.Class":"","_row":"76956-02-0"}
{"Compound":"Mofarotene","CAS":"125533-88-2","CAS.Checksum":true,"DTXSID":"DTXSID7032006","Formula":"C29H39NO2","All.Compound.Names":"Mofarotene|Arotinoid|Dtxsid7032006|125533-88-2","logHenry":-6.273,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.383,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.301,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.744,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.2,"MP.Reference":"EPA-CCD-OPERA","MW":433.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.Reference":"Dawson 2021","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Ito 2004","Chemical.Class":"","_row":"125533-88-2"}
{"Compound":"Nicardipine","CAS":"55985-32-5","CAS.Checksum":true,"DTXSID":"DTXSID6023363","Formula":"C26H29N3O6","All.Compound.Names":"Nicardipine|55985-32-5|Dtxsid6023363","logHenry":-7.499,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.821,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.864,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.639,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.59,"MP.Reference":"EPA-CCD-OPERA","MW":479.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog|Monkey","Dog.Foral":0.089,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"402","Human.Clint.Reference":"Ito/Riley","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.21,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.53,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.23,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.084","Human.Funbound.plasma.Reference":"Ito 2004","Human.Rblood2plasma":0.71,"Human.Rblood2plasma.Reference":"TNO","Monkey.Foral":0.104,"Monkey.Foral.Reference":"Musther 2014","Rat.Foral":0.215,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"55985-32-5"}
{"Compound":"Nilvadipine","CAS":"75530-68-6","CAS.Checksum":true,"DTXSID":"DTXSID2046624","Formula":"C19H19N3O6","All.Compound.Names":"Nilvadipine|75530-68-6|Dtxsid2046624","logHenry":-7.981,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.388,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.883,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.869,"logWSol.Reference":"EPA-CCD-OPERA","MP":119,"MP.Reference":"EPA-CCD-OPERA","MW":385.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.52","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2160","Human.Clint.Reference":"Ito/Riley","Human.Foral":0.14,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.013","Human.Funbound.plasma.Reference":"Ito 2004","Human.Rblood2plasma":0.6844,"Human.Rblood2plasma.Reference":"TNO","Rat.Foral":0.1502,"Rat.Foral.Reference":"Wambaugh 2018","Chemical.Class":"","_row":"75530-68-6"}
{"Compound":"Oxodipine","CAS":"90729-41-2","CAS.Checksum":true,"DTXSID":"DTXSID50869063","Formula":"C19H21NO6","All.Compound.Names":"Oxodipine|Dtxsid50869063|90729-41-2","logHenry":-7.055,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.871,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.066,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.735,"logWSol.Reference":"EPA-CCD-OPERA","MP":104,"MP.Reference":"EPA-CCD-OPERA","MW":359.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Ito 2004","Rat.Clint":"0","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"1","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"90729-41-2"}
{"Compound":"R-acenocoumarol","CAS":"66556-77-2","CAS.Checksum":true,"DTXSID":"DTXSID10873368","Formula":"C19H15NO6","All.Compound.Names":"R-acenocoumarol|(r)-acenocoumarol|Dtxsid10873368|66556-77-2","logHenry":-9.118,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.983,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.757,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.93,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.9,"MP.Reference":"EPA-CCD-OPERA","MW":353.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.012","Human.Funbound.plasma.Reference":"Ito 2004","Chemical.Class":"","_row":"66556-77-2"}
{"Compound":"R-warfarin","CAS":"5543-58-8","CAS.Checksum":true,"DTXSID":"DTXSID80859119","Formula":"C19H18O4","All.Compound.Names":"R-warfarin|(r)-warfarin|Dtxsid80859119|5543-58-8","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.01,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.586,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.387,"logWSol.Reference":"EPA-CCD-OPERA","MP":180,"MP.Reference":"EPA-CCD-OPERA","MW":310.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.023","Human.Funbound.plasma.Reference":"Ito 2004","Chemical.Class":"","_row":"5543-58-8"}
{"Compound":"S-acenocoumarol","CAS":"66556-78-3","CAS.Checksum":true,"DTXSID":"DTXSID20859299","Formula":"C19H15NO6","All.Compound.Names":"S-acenocoumarol|(s)-acenocoumarol|Dtxsid20859299|66556-78-3","logHenry":-9.118,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.983,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.757,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.93,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.9,"MP.Reference":"EPA-CCD-OPERA","MW":353.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.009","Human.Funbound.plasma.Reference":"Ito 2004","Chemical.Class":"","_row":"66556-78-3"}
{"Compound":"S-warfarin","CAS":"5543-57-7","CAS.Checksum":true,"DTXSID":"DTXSID50873382","Formula":"C19H16O4","All.Compound.Names":"S-warfarin|(s)-warfarin|Wafarin (s-)|Dtxsid50873382","logHenry":-8.212,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.96,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.017,"logWSol.Reference":"EPA-CCD-OPERA","MP":161,"MP.Reference":"EPA-CCD-OPERA","MW":308.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.051","Human.Clint.Reference":"Wood 2017","Human.Funbound.plasma":"0.011","Human.Funbound.plasma.Reference":"Ito 2004","Rat.Clint":"0.1771","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.012","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"5543-57-7"}
{"Compound":"Tacrine","CAS":"321-64-2","CAS.Checksum":true,"DTXSID":"DTXSID1037272","Formula":"C13H14N2","All.Compound.Names":"Tacrine|321-64-2|Dtxsid1037272","logHenry":-7.558,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.707,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.547,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.689,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.6,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"34.8,19.3,62.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"1000","Human.Clint.Reference":"Ito 2004","Human.Foral":0.17,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Ito 2004","Human.Rblood2plasma":1.6,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Funbound.plasma":"0.44","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1.64,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"321-64-2"}
{"Compound":"Acebutolol-r","CAS":"68107-81-3","CAS.Checksum":true,"DTXSID":"DTXSID80218303","Formula":"C18H28N2O4","All.Compound.Names":"Acebutolol-r|(r)-acebutolol|Dtxsid80218303|68107-81-3","logHenry":-9.059,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.4,"logMA.Reference":"Pearce 2017","logP":1.71,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.599,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.199,"logWSol.Reference":"EPA-CCD-OPERA","MP":121,"MP.Reference":"EPA-CCD-OPERA","MW":336.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.59","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.79","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"68107-81-3"}
{"Compound":"Acebutolol-s","CAS":"68107-82-4","CAS.Checksum":true,"DTXSID":"DTXSID70872933","Formula":"C18H28N2O4","All.Compound.Names":"Acebutolol-s|S-acebutolol|Dtxsid70872933|68107-82-4","logHenry":-9.059,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.4,"logMA.Reference":"Pearce 2017","logP":1.71,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.599,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.199,"logWSol.Reference":"EPA-CCD-OPERA","MP":121,"MP.Reference":"EPA-CCD-OPERA","MW":336.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.59","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.73","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"68107-82-4"}
{"Compound":"Barbital","CAS":"57-44-3","CAS.Checksum":true,"DTXSID":"DTXSID5022643","Formula":"C8H12N2O3","All.Compound.Names":"Barbital|Dtxsid5022643|57-44-3","logHenry":-8.448,"logHenry.Reference":"EPA-CCD-OPERA","logMA":0.36,"logMA.Reference":"Schmitt 2008","logP":0.6498,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.754,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.399,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.9,"MP.Reference":"EPA-CCD-OPERA","MW":184.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"24,10.6,54.1","Human.Caco2.Pab.Reference":"Lanevskij","Rat.Funbound.plasma":"0.93","Rat.Funbound.plasma.Reference":"Schmitt 2008","Chemical.Class":"","_row":"57-44-3"}
{"Compound":"Betaxolol-r","CAS":"91878-53-4","CAS.Checksum":true,"DTXSID":"DTXSID50873206","Formula":"C18H29NO3","All.Compound.Names":"Betaxolol-r|(r)-betaxolol|Dtxsid50873206|91878-53-4","logHenry":-7.912,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.2,"logMA.Reference":"Pearce 2017","logP":2.81,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.386,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.933,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.14,"MP.Reference":"EPA-CCD-OPERA","MW":307.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.53","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"91878-53-4"}
{"Compound":"Betaxolol-s","CAS":"93221-48-8","CAS.Checksum":true,"DTXSID":"DTXSID30239341","Formula":"C18H29NO3","All.Compound.Names":"Betaxolol-s|Levobetaxolol|Dtxsid30239341|93221-48-8","logHenry":-7.912,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.2,"logMA.Reference":"Pearce 2017","logP":2.81,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.386,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.933,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.14,"MP.Reference":"EPA-CCD-OPERA","MW":307.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.54","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"93221-48-8"}
{"Compound":"Cefazolin","CAS":"25953-19-9","CAS.Checksum":true,"DTXSID":"DTXSID2022753","Formula":"C14H14N8O4S3","All.Compound.Names":"Cefazolin|25953-19-9|Dtxsid2022753","logHenry":-10.92,"logHenry.Reference":"EPA-CCD-OPERA","logMA":0.9031,"logMA.Reference":"Pearce 2017","logP":-0.5798,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.24,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.978,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.9,"MP.Reference":"EPA-CCD-OPERA","MW":454.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.58","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.9,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.18","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Funbound.plasma":"0.14","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"25953-19-9"}
{"Compound":"Ceftazidime","CAS":"72558-82-8","CAS.Checksum":true,"DTXSID":"DTXSID5022770","Formula":"C22H22N6O7S2","All.Compound.Names":"Ceftazidime|72558-82-8|Dtxsid5022770","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1,"logMA.Reference":"Pearce 2017","logP":1.171,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.341,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.008,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.4,"MP.Reference":"EPA-CCD-OPERA","MW":546.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.59","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.79","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Funbound.plasma":"0.9","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"72558-82-8"}
{"Compound":"Clomipramine","CAS":"303-49-1","CAS.Checksum":true,"DTXSID":"DTXSID6022844","Formula":"C19H23ClN2","All.Compound.Names":"Clomipramine|303-49-1|Dtxsid6022844","logHenry":-5.402,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.23,"logMA.Reference":"Schmitt 2008","logP":5.189,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.636,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.639,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.2,"MP.Reference":"EPA-CCD-OPERA","MW":314.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rabbit|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.51,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.029","Human.Funbound.plasma.Reference":"Lombardo 2018","Rabbit.Funbound.plasma":"0.07","Rabbit.Funbound.plasma.Reference":"Schmitt 2008","Chemical.Class":"","_row":"303-49-1"}
{"Compound":"Cotinine","CAS":"486-56-6","CAS.Checksum":true,"DTXSID":"DTXSID1047576","Formula":"C10H12N2O","All.Compound.Names":"Cotinine|486-56-6|Dtxsid1047576","logHenry":-6.957,"logHenry.Reference":"EPA-CCD-OPERA","logMA":0.301,"logMA.Reference":"Pearce 2017","logP":0.0716,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.677,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5006,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.22,"MP.Reference":"EPA-CCD-OPERA","MW":176.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.52","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"36.6,20.4,65.8","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.987","Human.Clint.pValue":0.9867,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.04,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.97,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.97,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"9.76e-07,2.29e-13,0.964","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Funbound.plasma":"0.97","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"486-56-6"}
{"Compound":"Dicloxacillin","CAS":"3116-76-5","CAS.Checksum":true,"DTXSID":"DTXSID1022924","Formula":"C19H17Cl2N3O5S","All.Compound.Names":"Dicloxacillin|3116-76-5|Dtxsid1022924","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.845,"logMA.Reference":"Pearce 2017","logP":2.909,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.757,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.187,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.6,"MP.Reference":"EPA-CCD-OPERA","MW":470.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.7,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.97,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.52,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.033","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Funbound.plasma":"0.03","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"3116-76-5"}
{"Compound":"Digoxin","CAS":"20830-75-5","CAS.Checksum":true,"DTXSID":"DTXSID5022934","Formula":"C41H64O14","All.Compound.Names":"Digoxin|20830-75-5|Dtxsid5022934","logHenry":-9.883,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.477,"logMA.Reference":"Pearce 2017","logP":1.263,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.3,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.121,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.4,"MP.Reference":"EPA-CCD-OPERA","MW":780.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.31,1.47,7.46","Human.Caco2.Pab.Reference":"Lanevskij,ChEMBL","Human.Clint":"0","Human.Clint.Reference":"Tonnelier 2012","Human.Fabs":0.81,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.86,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.7,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.7","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.96,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Funbound.plasma":"0.87","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":2.13,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"20830-75-5"}
{"Compound":"Fleroxacin","CAS":"79660-72-3","CAS.Checksum":true,"DTXSID":"DTXSID1046714","Formula":"C17H18F3N3O3","All.Compound.Names":"Fleroxacin|79660-72-3|Dtxsid1046714","logHenry":-8.76,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.301,"logMA.Reference":"Pearce 2017","logP":0.2396,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.32,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.733,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.9,"MP.Reference":"EPA-CCD-OPERA","MW":369.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.75","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"-2.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human|Mouse|Dog","Dog.Foral":1,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"15.5,6.87,34.9","Human.Caco2.Pab.Reference":"Lanevskij","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.04,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.96,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.73","Human.Funbound.plasma.Reference":"Lombardo 2018","Mouse.Foral":0.7882,"Mouse.Foral.Reference":"Musther 2014","Rat.Foral":0.885,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.75","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"79660-72-3"}
{"Compound":"Glycyrrhizin","CAS":"1405-86-3","CAS.Checksum":true,"DTXSID":"DTXSID8047006","Formula":"C42H62O16","All.Compound.Names":"Glycyrrhizin|Dtxsid8047006|1405-86-3","logHenry":-10.7,"logHenry.Reference":"EPA-CCD-OPERA","logMA":0.6021,"logMA.Reference":"Pearce 2017","logP":2.799,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.789,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.578,"logWSol.Reference":"EPA-CCD-OPERA","MP":251.4,"MP.Reference":"EPA-CCD-OPERA","MW":822.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.48","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.05","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"1405-86-3"}
{"Compound":"Methotrexate","CAS":"59-05-2","CAS.Checksum":true,"DTXSID":"DTXSID4020822","Formula":"C20H22N8O5","All.Compound.Names":"Methotrexate|59-05-2|Dtxsid4020822","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.18,"logMA.Reference":"Schmitt 2008","logP":-1.847,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.36,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.724,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.2,"MP.Reference":"EPA-CCD-OPERA","MW":454.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.44","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"1.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.565,0.14,2.29","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9997,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Fabs":0.7,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.72,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.432,0.315,0.655","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":0.71,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"59-05-2"}
{"Compound":"Metoprolol-r","CAS":"81024-43-3","CAS.Checksum":true,"DTXSID":"DTXSID20230862","Formula":"C15H25NO3","All.Compound.Names":"Metoprolol-r|(r)-metoprolol|Dtxsid20230862|81024-43-3","logHenry":-7.568,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.5,"logMA.Reference":"Pearce 2017","logP":1.881,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.518,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.203,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.65,"MP.Reference":"EPA-CCD-OPERA","MW":267.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.8","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"81024-43-3"}
{"Compound":"Metoprolol-s","CAS":"81024-42-2","CAS.Checksum":true,"DTXSID":"DTXSID60230861","Formula":"C15H25NO3","All.Compound.Names":"Metoprolol-s|(s)-metoprolol|Dtxsid60230861|81024-42-2","logHenry":-7.568,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.5,"logMA.Reference":"Pearce 2017","logP":1.881,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.518,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.203,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.65,"MP.Reference":"EPA-CCD-OPERA","MW":267.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.81","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"81024-42-2"}
{"Compound":"Nicotine","CAS":"54-11-5","CAS.Checksum":true,"DTXSID":"DTXSID1020930","Formula":"C10H14N2","All.Compound.Names":"Nicotine|(-)-nicotine|54-11-5|Dtxsid1020930","logHenry":-4.559,"logHenry.Reference":"EPA-CCD-OPERA","logMA":0.7,"logMA.Reference":"Pearce 2017","logP":1.171,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.635,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7891,"logWSol.Reference":"EPA-CCD-OPERA","MP":-78.67,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.44,2.15,7.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.86,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.35,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.3,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.406,0.309,0.543","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":0.8238,"Human.Rblood2plasma.Reference":"TNO","Rat.Funbound.plasma":"0.84","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"54-11-5"}
{"Compound":"Norfloxacin","CAS":"70458-96-7","CAS.Checksum":true,"DTXSID":"DTXSID7037680","Formula":"C16H18FN3O3","All.Compound.Names":"Norfloxacin|Norfloxacine|70458-96-7|Dtxsid7037680","logHenry":-10.22,"logHenry.Reference":"EPA-CCD-OPERA","logMA":0.9542,"logMA.Reference":"Pearce 2017","logP":-1.024,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.4,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.655,"logWSol.Reference":"EPA-CCD-OPERA","MP":227.5,"MP.Reference":"EPA-CCD-OPERA","MW":319.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.68","pKa_Accept.Reference":"Pearce 2017","pKa_Donor":"-1.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.35,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.13","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Funbound.plasma":"0.58","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"70458-96-7"}
{"Compound":"Oxprenolol-r","CAS":"31576-00-8","CAS.Checksum":true,"DTXSID":"DTXSID50873362","Formula":"C15H23NO3","All.Compound.Names":"Oxprenolol-r|(r)-(+)-oxprenolol|Dtxsid50873362|31576-00-8","logHenry":-8.216,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.3,"logMA.Reference":"Pearce 2017","logP":2.1,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.279,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.982,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.9,"MP.Reference":"EPA-CCD-OPERA","MW":265.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.24","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"31576-00-8"}
{"Compound":"Oxprenolol-s","CAS":"22972-96-9","CAS.Checksum":true,"DTXSID":"DTXSID10873363","Formula":"C15H23NO3","All.Compound.Names":"Oxprenolol-s|(s)-(-)-oxprenolol|Dtxsid10873363|22972-96-9","logHenry":-8.216,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.3,"logMA.Reference":"Pearce 2017","logP":2.1,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.279,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.982,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.9,"MP.Reference":"EPA-CCD-OPERA","MW":265.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.36","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"22972-96-9"}
{"Compound":"Pefloxacin","CAS":"70458-92-3","CAS.Checksum":true,"DTXSID":"DTXSID3048493","Formula":"C17H20FN3O3","All.Compound.Names":"Pefloxacin|70458-92-3|Dtxsid3048493","logHenry":-8.795,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.079,"logMA.Reference":"Pearce 2017","logP":0.2693,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.33,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.7,"MP.Reference":"EPA-CCD-OPERA","MW":333.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.17","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"-1.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.03,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.92,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.75","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Funbound.plasma":"0.8","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"70458-92-3"}
{"Compound":"Penicillin","CAS":"61-33-6","CAS.Checksum":true,"DTXSID":"DTXSID5046934","Formula":"C16H18N2O4S","All.Compound.Names":"Penicillin|Penicillin g|61-33-6|Dtxsid5046934","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.041,"logMA.Reference":"Pearce 2017","logP":1.829,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.634,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.476,"logWSol.Reference":"EPA-CCD-OPERA","MP":161,"MP.Reference":"EPA-CCD-OPERA","MW":334.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.95,0.865,4.39","Human.Caco2.Pab.Reference":"Lanevskij","Human.Foral":0.3,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.4","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Funbound.plasma":"0.15","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"61-33-6"}
{"Compound":"Pentazocine","CAS":"359-83-1","CAS.Checksum":true,"DTXSID":"DTXSID7023433","Formula":"C19H27NO","All.Compound.Names":"Pentazocine|Dl-pentazocine|359-83-1|Dtxsid7023433","logHenry":-7.935,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.633,"logMA.Reference":"Pearce 2017","logP":4.637,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.981,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.797,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.4,"MP.Reference":"EPA-CCD-OPERA","MW":285.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.18,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.39","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.06,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Funbound.plasma":"0.47","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1.55,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"359-83-1"}
{"Compound":"Pentobarbital","CAS":"76-74-4","CAS.Checksum":true,"DTXSID":"DTXSID7023435","Formula":"C11H18N2O3","All.Compound.Names":"Pentobarbital|76-74-4|Dtxsid7023435","logHenry":-8.676,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1,"logMA.Reference":"Pearce 2017","logP":2.099,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.249,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.492,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.5,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.723","Human.Clint.Reference":"Tonnelier 2012","Human.Foral":0.8,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.39","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Funbound.plasma":"0.46","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"76-74-4"}
{"Compound":"Phenobarbital","CAS":"50-06-6","CAS.Checksum":true,"DTXSID":"DTXSID5021122","Formula":"C12H12N2O3","All.Compound.Names":"Phenobarbital|50-06-6|Dtxsid5021122","logHenry":-8.452,"logHenry.Reference":"EPA-CCD-OPERA","logMA":0.8,"logMA.Reference":"Pearce 2017","logP":1.469,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.8,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.323,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.1,"MP.Reference":"EPA-CCD-OPERA","MW":232.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human|Mouse|Dog","Dog.Foral":0.91,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"34.7,15.4,78.1","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"0","Human.Clint.Reference":"Tonnelier 2012","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.49","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.86,"Human.Rblood2plasma.Reference":"Paixao 2012","Mouse.Foral":0.9668,"Mouse.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.64","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1.59,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"50-06-6"}
{"Compound":"Pindolol-r","CAS":"68374-35-6","CAS.Checksum":true,"DTXSID":"DTXSID40218506","Formula":"C14H20N2O2","All.Compound.Names":"Pindolol-r|(r)-pindolol|Dtxsid40218506|68374-35-6","logHenry":-8.656,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.2,"logMA.Reference":"Pearce 2017","logP":0.7648,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.763,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.213,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.2,"MP.Reference":"EPA-CCD-OPERA","MW":248.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.51","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"68374-35-6"}
{"Compound":"Pindolol-s","CAS":"26328-11-0","CAS.Checksum":true,"DTXSID":"DTXSID70873364","Formula":"C14H20N2O2","All.Compound.Names":"Pindolol-s|(s)-(-)-pindolol|Dtxsid70873364|26328-11-0","logHenry":-7.141,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.2,"logMA.Reference":"Pearce 2017","logP":1.751,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.465,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.672,"logWSol.Reference":"EPA-CCD-OPERA","MP":171,"MP.Reference":"EPA-CCD-OPERA","MW":248.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.76","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"26328-11-0"}
{"Compound":"Pipemidic acid","CAS":"51940-44-4","CAS.Checksum":true,"DTXSID":"DTXSID3023479","Formula":"C14H17N5O3","All.Compound.Names":"Pipemidic acid|51940-44-4|Dtxsid3023479","logHenry":-9.474,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.431,"logMA.Reference":"Pearce 2017","logP":-2.145,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.18,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.971,"logWSol.Reference":"EPA-CCD-OPERA","MP":254,"MP.Reference":"EPA-CCD-OPERA","MW":303.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.33","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"1.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.93,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.7","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Funbound.plasma":"0.85","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"51940-44-4"}
{"Compound":"P-phenylbenzoic acid","CAS":"92-92-2","CAS.Checksum":true,"DTXSID":"DTXSID1059074","Formula":"C13H10O2","All.Compound.Names":"P-phenylbenzoic acid|[1,1'-biphenyl]-4-carboxylic acid|Dtxsid1059074|92-92-2","logHenry":-8.128,"logHenry.Reference":"EPA-CCD-OPERA","logMA":0.301,"logMA.Reference":"Pearce 2017","logP":3.743,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.728,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.149,"logWSol.Reference":"EPA-CCD-OPERA","MP":227,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.03","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"92-92-2"}
{"Compound":"Procainamide","CAS":"51-06-9","CAS.Checksum":true,"DTXSID":"DTXSID7023512","Formula":"C13H21N3O","All.Compound.Names":"Procainamide|51-06-9|Dtxsid7023512","logHenry":-10.19,"logHenry.Reference":"EPA-CCD-OPERA","logMA":0.9542,"logMA.Reference":"Pearce 2017","logP":0.8814,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.159,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.417,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.6,"MP.Reference":"EPA-CCD-OPERA","MW":235.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat|Human|Dog","Dog.Foral":0.8497,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.723","Human.Clint.Reference":"Tonnelier 2012","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.04,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.76,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.85,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.84","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Funbound.plasma":"0.92","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"51-06-9"}
{"Compound":"Promazine","CAS":"58-40-2","CAS.Checksum":true,"DTXSID":"DTXSID2023517","Formula":"C17H20N2S","All.Compound.Names":"Promazine|58-40-2|Dtxsid2023517","logHenry":-5.165,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.823,"logMA.Reference":"Pearce 2017","logP":4.875,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.314,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.302,"logWSol.Reference":"EPA-CCD-OPERA","MP":66.67,"MP.Reference":"EPA-CCD-OPERA","MW":284.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"22.59","Human.Clint.Reference":"Wood 2017","Human.Foral":0.1625,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.11","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Funbound.plasma":"0.05","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"58-40-2"}
{"Compound":"Promethazine","CAS":"60-87-7","CAS.Checksum":true,"DTXSID":"DTXSID7023518","Formula":"C17H20N2S","All.Compound.Names":"Promethazine|60-87-7|Dtxsid7023518","logHenry":-5.126,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.2,"logMA.Reference":"Schmitt 2008","logP":4.81,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.459,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.276,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.1,"MP.Reference":"EPA-CCD-OPERA","MW":284.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rabbit|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"41.28","Human.Clint.Reference":"Wood 2017","Human.Foral":0.25,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.09","Human.Funbound.plasma.Reference":"Lombardo 2018","Rabbit.Funbound.plasma":"0.22","Rabbit.Funbound.plasma.Reference":"Schmitt 2008","Chemical.Class":"","_row":"60-87-7"}
{"Compound":"Propranolol-r","CAS":"13071-11-9","CAS.Checksum":true,"DTXSID":"DTXSID30873365","Formula":"C16H22ClNO2","All.Compound.Names":"Propranolol-r|(r)-propranolol|Dexpropranolol hydrochloride|Dtxsid30873365|13071-11-9","logHenry":-8.846,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3,"logMA.Reference":"Pearce 2017","logP":0.1348,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.264,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.228,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.6,"MP.Reference":"EPA-CCD-OPERA","MW":295.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.017","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"13071-11-9"}
{"Compound":"Propranolol-s","CAS":"4199-10-4","CAS.Checksum":true,"DTXSID":"DTXSID50873367","Formula":"C16H22ClNO2","All.Compound.Names":"Propranolol-s|(s)-propranolol|(s)-propranolol hydrochloride|Dtxsid50873367|4199-10-4","logHenry":-8.846,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3,"logMA.Reference":"Pearce 2017","logP":0.1348,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.264,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.228,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.6,"MP.Reference":"EPA-CCD-OPERA","MW":295.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.127","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"4199-10-4"}
{"Compound":"Pyridostigmine","CAS":"155-97-5","CAS.Checksum":true,"DTXSID":"DTXSID20165786","Formula":"C9H13N2O2","All.Compound.Names":"Pyridostigmine|155-97-5|Dtxsid20165786","logHenry":-4.735,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.041,"logMA.Reference":"Pearce 2017","logP":1.938,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.201,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8841,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.4,"MP.Reference":"EPA-CCD-OPERA","MW":181.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.336,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.85,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.9,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.076,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"155-97-5"}
{"Compound":"Salicylic acid","CAS":"69-72-7","CAS.Checksum":true,"DTXSID":"DTXSID7026368","Formula":"C7H6O3","All.Compound.Names":"Salicylic acid|69-72-7|Dtxsid7026368","logHenry":-7.056,"logHenry.Reference":"EPA-CCD-OPERA","logMA":0.6021,"logMA.Reference":"Pearce 2017","logP":2.261,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.182,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9697,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.1,"MP.Reference":"EPA-CCD-OPERA","MW":138.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"18.2,8.08,41","Human.Caco2.Pab.Reference":"Lanevskij","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Rat.Funbound.plasma":"0.4","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"69-72-7"}
{"Compound":"Tetracycline","CAS":"60-54-8","CAS.Checksum":true,"DTXSID":"DTXSID7023645","Formula":"C22H24N2O8","All.Compound.Names":"Tetracycline|60-54-8|Dtxsid7023645","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.699,"logMA.Reference":"Pearce 2017","logP":-1.295,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.75,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.023,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.3,"MP.Reference":"EPA-CCD-OPERA","MW":444.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.10","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"7.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9998,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.88,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.97,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.79,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.468,0.419,0.558","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":1.7,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"60-54-8"}
{"Compound":"Thiopental","CAS":"76-75-5","CAS.Checksum":true,"DTXSID":"DTXSID1023653","Formula":"C11H18N2O2S","All.Compound.Names":"Thiopental|Dtxsid1023653|76-75-5","logHenry":-8.288,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.58,"logMA.Reference":"Pearce 2017","logP":2.85,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.724,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.357,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.2,"MP.Reference":"EPA-CCD-OPERA","MW":242.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.14","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Funbound.plasma":"0.25","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.92,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"76-75-5"}
{"Compound":"Thioridazine","CAS":"50-52-2","CAS.Checksum":true,"DTXSID":"DTXSID6023656","Formula":"C21H26N2S2","All.Compound.Names":"Thioridazine|50-52-2|Dtxsid6023656","logHenry":-6.717,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.806,"logMA.Reference":"Pearce 2017","logP":5.899,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.796,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.818,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.05,"MP.Reference":"EPA-CCD-OPERA","MW":370.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.915","Human.Clint.Reference":"Tonnelier 2012","Human.Foral":0.4,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.0217","Human.Funbound.plasma.Reference":"Tonnelier 2012","Rat.Funbound.plasma":"0.01","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"50-52-2"}
{"Compound":"Trans-retinoic acid","CAS":"302-79-4","CAS.Checksum":true,"DTXSID":"DTXSID7021239","Formula":"C20H28O2","All.Compound.Names":"Trans-retinoic acid|All-trans-retinoic acid|Retinoic acid|Dtxsid7021239|302-79-4","logHenry":-4.403,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.73,"logMA.Reference":"Schmitt 2008","logP":6.298,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.812,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.976,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.3,"MP.Reference":"EPA-CCD-OPERA","MW":300.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Mouse|Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10.5,4.21,19.7,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00597,0.00111,0.0284","Human.Funbound.plasma.Reference":"Wambaugh 2019","Mouse.Funbound.plasma":"0.1","Mouse.Funbound.plasma.Reference":"Schmitt 2008","Rat.Clint":"6.9","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"302-79-4"}
{"Compound":"Trihexylphenidil","CAS":"144-11-6","CAS.Checksum":true,"DTXSID":"DTXSID4023705","Formula":"C20H31NO","All.Compound.Names":"Trihexylphenidil|Trihexyphenidyl|144-11-6|Dtxsid4023705","logHenry":-6.622,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.41,"logMA.Reference":"Schmitt 2008","logP":4.489,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.591,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.196,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.6,"MP.Reference":"EPA-CCD-OPERA","MW":301.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rabbit|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Rabbit.Funbound.plasma":"0.37","Rabbit.Funbound.plasma.Reference":"Schmitt 2008","Chemical.Class":"","_row":"144-11-6"}
{"Compound":"Valproic acid","CAS":"99-66-1","CAS.Checksum":true,"DTXSID":"DTXSID6023733","Formula":"C8H16O2","All.Compound.Names":"Valproic acid|2-propyl pentanoic acid|2-propyl pentanoic acid /valproic acid|99-66-1|Dtxsid6023733","logHenry":-6.08,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.041,"logMA.Reference":"Pearce 2017","logP":2.748,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.254,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.859,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.78,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human|Dog","Dog.Foral":0.93,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"29.2,12.9,65.7","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"0.4366","Human.Clint.Reference":"Paini 2020","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.214,0.1626,0.2654","Human.Funbound.plasma.Reference":"Paini 2020","Human.Rblood2plasma":0.74,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"4.6","Rat.Clint.Reference":"Honda 2019","Rat.Foral":0.9991,"Rat.Foral.Reference":"Wambaugh 2018","Rat.Funbound.plasma":"0.37","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.74,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"99-66-1"}
{"Compound":"16-acetyl gitoxin","CAS":"7242-07-1","CAS.Checksum":true,"DTXSID":"DTXSID90993235","Formula":"C43H66O15","All.Compound.Names":"16-acetyl gitoxin|16-(acetyloxy)-3-{[2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide|Dtxsid90993235|7242-07-1","logHenry":-10.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.158,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.398,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.475,"logWSol.Reference":"EPA-CCD-OPERA","MP":226.8,"MP.Reference":"EPA-CCD-OPERA","MW":823,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.07","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"7242-07-1"}
{"Compound":"5-hydroxymethyl tolterodine","CAS":"207679-81-0","CAS.Checksum":true,"DTXSID":"DTXSID40431319","Formula":"C22H31NO2","All.Compound.Names":"5-hydroxymethyl tolterodine|(r)-5-hydroxymethyltolterodine|Dtxsid40431319|207679-81-0","logHenry":-9.763,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.341,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.029,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.271,"logWSol.Reference":"EPA-CCD-OPERA","MP":104,"MP.Reference":"EPA-CCD-OPERA","MW":341.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.5","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"207679-81-0"}
{"Compound":"Abacavir","CAS":"136470-78-5","CAS.Checksum":true,"DTXSID":"DTXSID4046444","Formula":"C14H18N6O","All.Compound.Names":"Abacavir|136470-78-5|Dtxsid4046444","logHenry":-9.77,"logHenry.Reference":"OPERA29","logP":1.22,"logP.Reference":"OPERA29","logWSol":-0.94,"logWSol.Reference":"OPERA29","MP":165,"MP.Reference":"OPERA29","MW":286.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.83,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.5","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"136470-78-5"}
{"Compound":"Acamprosate","CAS":"77337-76-9","CAS.Checksum":true,"DTXSID":"DTXSID3044259","Formula":"C5H11NO4S","All.Compound.Names":"Acamprosate|77337-76-9|Dtxsid3044259","logHenry":-9.316,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6656,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.265,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1047,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.1,"MP.Reference":"EPA-CCD-OPERA","MW":181.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.11,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"77337-76-9"}
{"Compound":"Acecainide (n-acetylprocainamide)","CAS":"32795-44-1","CAS.Checksum":true,"DTXSID":"DTXSID6048414","Formula":"C15H23N3O2","All.Compound.Names":"Acecainide (n-acetylprocainamide)|Acecainide|32795-44-1|Dtxsid6048414","logHenry":-10.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.383,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.934,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.545,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.2,"MP.Reference":"EPA-CCD-OPERA","MW":277.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.79","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.73","pKa_Donor.Reference":"Pearce 2017","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.83,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.9","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Funbound.plasma":"0.92","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"32795-44-1"}
{"Compound":"Acenocoumarol","CAS":"152-72-7","CAS.Checksum":true,"DTXSID":"DTXSID2022541","Formula":"C19H15NO6","All.Compound.Names":"Acenocoumarol|152-72-7|Dtxsid2022541","logHenry":-9.118,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.983,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.757,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.93,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.9,"MP.Reference":"EPA-CCD-OPERA","MW":353.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.6,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"152-72-7"}
{"Compound":"Acetazolamide","CAS":"59-66-5","CAS.Checksum":true,"DTXSID":"DTXSID7022544","Formula":"C4H6N4O3S2","All.Compound.Names":"Acetazolamide|59-66-5|Dtxsid7022544","logHenry":-8.301,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2601,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.404,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.411,"logWSol.Reference":"EPA-CCD-OPERA","MP":260.5,"MP.Reference":"EPA-CCD-OPERA","MW":222.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"2.5,1.11,5.63","Human.Caco2.Pab.Reference":"ChEMBL","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.04","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"59-66-5"}
{"Compound":"Acetylcysteine, n-","CAS":"616-91-1","CAS.Checksum":true,"DTXSID":"DTXSID5020021","Formula":"C5H9NO3S","All.Compound.Names":"Acetylcysteine, n-|N-acetyl-l-cysteine|616-91-1|Dtxsid5020021","logHenry":-9.368,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.627,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.482,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.04096,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.5,"MP.Reference":"EPA-CCD-OPERA","MW":163.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.05,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.17","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"616-91-1"}
{"Compound":"Acetylmethadol, l-","CAS":"1477-40-3","CAS.Checksum":true,"DTXSID":"DTXSID3023211","Formula":"C23H31NO2","All.Compound.Names":"Acetylmethadol, l-|Levomethadyl acetate|Dtxsid3023211|1477-40-3","logHenry":-7.065,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.269,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.559,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.359,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.4,"MP.Reference":"EPA-CCD-OPERA","MW":353.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.2","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1477-40-3"}
{"Compound":"Actisomide","CAS":"96914-39-5","CAS.Checksum":true,"DTXSID":"DTXSID001026019","Formula":"C23H35N3O","All.Compound.Names":"Actisomide|96914-39-5","logHenry":-5.75,"logHenry.Reference":"OPERA29","logP":4.22,"logP.Reference":"OPERA29","logWSol":-4.39,"logWSol.Reference":"OPERA29","MP":112,"MP.Reference":"OPERA29","MW":369.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.7","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"96914-39-5"}
{"Compound":"Acyclovir","CAS":"59277-89-3","CAS.Checksum":true,"DTXSID":"DTXSID1022556","Formula":"C8H11N5O3","All.Compound.Names":"Acyclovir|59277-89-3|Dtxsid1022556","logHenry":-9.995,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.7,"logMA.Reference":"Endo 2011","logP":-1.559,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.1,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.144,"logWSol.Reference":"EPA-CCD-OPERA","MP":255,"MP.Reference":"EPA-CCD-OPERA","MW":225.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.23","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.907,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"2,0.885,4.5","Human.Caco2.Pab.Reference":"Lanevskij","Human.Fabs":0.23,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.05,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.95,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.32,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.85","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.08,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.0218,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"59277-89-3"}
{"Compound":"Adefovir","CAS":"106941-25-7","CAS.Checksum":true,"DTXSID":"DTXSID6046214","Formula":"C8H12N5O4P","All.Compound.Names":"Adefovir|106941-25-7|Dtxsid6046214","logHenry":-9.767,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.592,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.89,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7552,"logWSol.Reference":"EPA-CCD-OPERA","MP":203,"MP.Reference":"EPA-CCD-OPERA","MW":273.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.08","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"1.35,7.91","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.16,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.76,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.12,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.96","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.08,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"106941-25-7"}
{"Compound":"Adinazolam","CAS":"37115-32-5","CAS.Checksum":true,"DTXSID":"DTXSID40190611","Formula":"C19H18ClN5","All.Compound.Names":"Adinazolam|37115-32-5|Dtxsid40190611","logHenry":-7.196,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.68,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.01,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.911,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.2,"MP.Reference":"EPA-CCD-OPERA","MW":351.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Williamson 2020","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.46,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.84,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.39,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.31","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"37115-32-5"}
{"Compound":"Ajmaline","CAS":"4360-12-7","CAS.Checksum":true,"DTXSID":"DTXSID6045537","Formula":"C20H26N2O2","All.Compound.Names":"Ajmaline|Dtxsid6045537|4360-12-7","logHenry":-8.37,"logHenry.Reference":"OPERA29","logP":2.1,"logP.Reference":"OPERA29","logWSol":-3.88,"logWSol.Reference":"OPERA29","MP":206,"MP.Reference":"OPERA29","MW":326.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.24","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"4360-12-7"}
{"Compound":"Albuterol (salbutamol)","CAS":"18559-94-9","CAS.Checksum":true,"DTXSID":"DTXSID5021255","Formula":"C13H21NO3","All.Compound.Names":"Albuterol (salbutamol)|Salbutamol|Albuterol|18559-94-9|Dtxsid5021255","logHenry":-10.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9978,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.634,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.222,"logWSol.Reference":"EPA-CCD-OPERA","MP":151,"MP.Reference":"EPA-CCD-OPERA","MW":239.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.96","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.85,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.81,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.88,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.71,"Human.Foral.Reference":"Varma 2010","Human.Funbound.plasma":"0.92","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"18559-94-9"}
{"Compound":"Alectinib","CAS":"1256580-46-7","CAS.Checksum":true,"DTXSID":"DTXSID50154840","Formula":"C30H34N4O2","All.Compound.Names":"Alectinib|Dtxsid50154840|1256580-46-7","logHenry":-8.973,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.165,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.403,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.182,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.3,"MP.Reference":"EPA-CCD-OPERA","MW":482.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.003","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1256580-46-7"}
{"Compound":"Alendronate","CAS":"66376-36-1","CAS.Checksum":true,"DTXSID":"DTXSID5022568","Formula":"C4H13NO7P2","All.Compound.Names":"Alendronate|Alendronic acid|66376-36-1|Dtxsid5022568","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.314,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.83,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.08198,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.5,"MP.Reference":"EPA-CCD-OPERA","MW":249.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.22","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"66376-36-1"}
{"Compound":"Alfentanil","CAS":"71195-58-9","CAS.Checksum":true,"DTXSID":"DTXSID9022570","Formula":"C21H32N6O3","All.Compound.Names":"Alfentanil|71195-58-9|Dtxsid9022570","logHenry":-7.861,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.16,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.529,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.423,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.8,"MP.Reference":"EPA-CCD-OPERA","MW":416.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.5","pKa_Accept.Reference":"Pearce 2017","pKa_Donor":"5.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.52,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.83,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.086","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.63,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Clint":"0","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.11","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.69,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"71195-58-9"}
{"Compound":"Alfuzosin","CAS":"81403-80-7","CAS.Checksum":true,"DTXSID":"DTXSID6048549","Formula":"C19H27N5O4","All.Compound.Names":"Alfuzosin|81403-80-7|Dtxsid6048549","logHenry":-10.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.216,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.415,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.679,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.3,"MP.Reference":"EPA-CCD-OPERA","MW":389.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.86","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.64","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.55,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.14","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"81403-80-7"}
{"Compound":"Alinidine","CAS":"33178-86-8","CAS.Checksum":true,"DTXSID":"DTXSID4022571","Formula":"C12H13Cl2N3","All.Compound.Names":"Alinidine|Dtxsid4022571|33178-86-8","logHenry":-8.997,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.531,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.277,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.246,"logWSol.Reference":"EPA-CCD-OPERA","MP":117.9,"MP.Reference":"EPA-CCD-OPERA","MW":270.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.4","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"33178-86-8"}
{"Compound":"Almitrine","CAS":"27469-53-0","CAS.Checksum":true,"DTXSID":"DTXSID4057899","Formula":"C26H29F2N7","All.Compound.Names":"Almitrine|27469-53-0|Dtxsid4057899","logHenry":-7.845,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.138,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.558,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.794,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.9,"MP.Reference":"EPA-CCD-OPERA","MW":477.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.63,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"27469-53-0"}
{"Compound":"Almotriptan","CAS":"154323-57-6","CAS.Checksum":true,"DTXSID":"DTXSID5044289","Formula":"C17H25N3O2S","All.Compound.Names":"Almotriptan|154323-57-6|Dtxsid5044289","logHenry":-6.625,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.064,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.497,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.597,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.5,"MP.Reference":"EPA-CCD-OPERA","MW":335.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.55","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"10.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.7,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.6","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"154323-57-6"}
{"Compound":"Alosetron","CAS":"122852-42-0","CAS.Checksum":true,"DTXSID":"DTXSID6044278","Formula":"C17H18N4O","All.Compound.Names":"Alosetron|122852-42-0|Dtxsid6044278","logHenry":-9.651,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.642,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.745,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.227,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.9,"MP.Reference":"EPA-CCD-OPERA","MW":294.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.39","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.04","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.55,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.18","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"122852-42-0"}
{"Compound":"Alvimopan","CAS":"156053-89-3","CAS.Checksum":true,"DTXSID":"DTXSID60166035","Formula":"C25H32N2O4","All.Compound.Names":"Alvimopan|156053-89-3|Dtxsid60166035","logHenry":-7.864,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.473,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.931,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.846,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.2,"MP.Reference":"EPA-CCD-OPERA","MW":424.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.06,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.2","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"156053-89-3"}
{"Compound":"Amantadine","CAS":"768-94-5","CAS.Checksum":true,"DTXSID":"DTXSID8022117","Formula":"C10H17N","All.Compound.Names":"Amantadine|768-94-5|Dtxsid8022117","logHenry":-4.838,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.439,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.02,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.271,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.1,"MP.Reference":"EPA-CCD-OPERA","MW":151.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.95,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.33","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"768-94-5"}
{"Compound":"Amdinocillin","CAS":"32887-01-7","CAS.Checksum":true,"DTXSID":"DTXSID3022584","Formula":"C15H23N3O3S","All.Compound.Names":"Amdinocillin|32887-01-7|Dtxsid3022584","logHenry":-8.94,"logHenry.Reference":"OPERA29","logP":1.3,"logP.Reference":"OPERA29","logWSol":-2.52,"logWSol.Reference":"OPERA29","MP":156,"MP.Reference":"OPERA29","MW":325.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.92","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"4.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.05,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.9","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"32887-01-7"}
{"Compound":"Amikacin","CAS":"37517-28-5","CAS.Checksum":true,"DTXSID":"DTXSID3022586","Formula":"C22H43N5O13","All.Compound.Names":"Amikacin|37517-28-5|Dtxsid3022586","logHenry":-10.62,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.505,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.12,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5004,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.5,"MP.Reference":"EPA-CCD-OPERA","MW":585.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.98","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.10,12.71,13.26","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.88","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"37517-28-5"}
{"Compound":"Aminocamptothecin, 9-","CAS":"91421-43-1","CAS.Checksum":true,"DTXSID":"DTXSID10873202","Formula":"C20H17N3O4","All.Compound.Names":"Aminocamptothecin, 9-|9-aminocamptothecin|Dtxsid10873202|91421-43-1","logHenry":-10.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.712,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.899,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.354,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.8,"MP.Reference":"EPA-CCD-OPERA","MW":363.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.15","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.71,14.26","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.003","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"91421-43-1"}
{"Compound":"Aminohexanoic acid, 6-","CAS":"60-32-2","CAS.Checksum":true,"DTXSID":"DTXSID0020070","Formula":"C6H13NO2","All.Compound.Names":"Aminohexanoic acid, 6-|6-aminocaproic acid|Aminocaproic acid|Dtxsid0020070|60-32-2","logHenry":-6.934,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.948,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.55,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5865,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.4,"MP.Reference":"EPA-CCD-OPERA","MW":131.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.87","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.92","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"60-32-2"}
{"Compound":"Aminolevulinic acid","CAS":"106-60-5","CAS.Checksum":true,"DTXSID":"DTXSID8048490","Formula":"C5H9NO3","All.Compound.Names":"Aminolevulinic acid|106-60-5|Dtxsid8048490","logHenry":-9.44,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.492,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.08,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.05133,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.7,"MP.Reference":"EPA-CCD-OPERA","MW":131.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.52","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.6,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.88","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"106-60-5"}
{"Compound":"Aminosalicylic acid, 5-","CAS":"89-57-6","CAS.Checksum":true,"DTXSID":"DTXSID5024506","Formula":"C7H7NO3","All.Compound.Names":"Aminosalicylic acid, 5-|5-aminosalicylic acid|Dtxsid5024506|89-57-6","logHenry":-8.399,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8097,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.082,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.252,"logWSol.Reference":"EPA-CCD-OPERA","MP":282.8,"MP.Reference":"EPA-CCD-OPERA","MW":153.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.87","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"3.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.324,0.0637,1.64","Human.Caco2.Pab.Reference":"Lanevskij","Human.Funbound.plasma":"0.39","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"89-57-6"}
{"Compound":"Amiodarone","CAS":"1951-25-3","CAS.Checksum":true,"DTXSID":"DTXSID7022592","Formula":"C25H29I2NO3","All.Compound.Names":"Amiodarone|1951-25-3|Dtxsid7022592","logHenry":-5.981,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.568,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.109,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.261,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.8,"MP.Reference":"EPA-CCD-OPERA","MW":645.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.71,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.92,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.53,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"2e-04","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.73,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Funbound.plasma":"0.05","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1.1,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"1951-25-3"}
{"Compound":"Amiprilose","CAS":"56824-20-5","CAS.Checksum":true,"DTXSID":"DTXSID9048483","Formula":"C14H27NO6","All.Compound.Names":"Amiprilose|56824-20-5|Dtxsid9048483","logHenry":-8.794,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1153,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.308,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9147,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.34,"MP.Reference":"EPA-CCD-OPERA","MW":305.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.63,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.97","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"56824-20-5"}
{"Compound":"Amlodipine","CAS":"88150-42-9","CAS.Checksum":true,"DTXSID":"DTXSID7022596","Formula":"C20H25ClN2O5","All.Compound.Names":"Amlodipine|88150-42-9|Dtxsid7022596","logHenry":-7.93,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.75,"logMA.Reference":"Endo 2011","logP":2.998,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.444,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.568,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.6,"MP.Reference":"EPA-CCD-OPERA","MW":408.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Mouse|Rat|Dog","Dog.Foral":0.88,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.93,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.73,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.95,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.005","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.2,"Human.Rblood2plasma.Reference":"Paixao 2012","Mouse.Foral":1,"Mouse.Foral.Reference":"Musther 2014","Rat.Foral":1,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"88150-42-9"}
{"Compound":"Amoxicillin","CAS":"26787-78-0","CAS.Checksum":true,"DTXSID":"DTXSID3037044","Formula":"C16H19N3O5S","All.Compound.Names":"Amoxicillin|26787-78-0|Dtxsid3037044","logHenry":-10.72,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8699,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.565,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.031,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.7,"MP.Reference":"EPA-CCD-OPERA","MW":365.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.09","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.768,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Human.Fabs":0.93,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.88,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.94,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.51,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.85","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.04,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"26787-78-0"}
{"Compound":"Amp579","CAS":"213453-89-5","CAS.Checksum":true,"DTXSID":"DTXSID601026029","Formula":"C22H28ClN5O3S","All.Compound.Names":"Amp579|Amp-579|213453-89-5","logHenry":-7.33,"logHenry.Reference":"OPERA29","logP":2.49,"logP.Reference":"OPERA29","logWSol":-5.78,"logWSol.Reference":"OPERA29","MP":207,"MP.Reference":"OPERA29","MW":478,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.03","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"213453-89-5"}
{"Compound":"Amphetamine (-d)","CAS":"51-64-9","CAS.Checksum":true,"DTXSID":"DTXSID8022907","Formula":"C9H13N","All.Compound.Names":"Amphetamine (-d)|Dextroamphetamine|51-64-9|Dtxsid8022907","logHenry":-5.568,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.76,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.078,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8747,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.64,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.75,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.8","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"51-64-9"}
{"Compound":"Amphotericin b","CAS":"1397-89-3","CAS.Checksum":true,"DTXSID":"DTXSID9022601","Formula":"C47H73NO17","All.Compound.Names":"Amphotericin b|1397-89-3|Dtxsid9022601","logHenry":-10.62,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5409,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.079,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.175,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.9,"MP.Reference":"EPA-CCD-OPERA","MW":924.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.01","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.05,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.03,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.03","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1397-89-3"}
{"Compound":"Ampicillin","CAS":"69-53-4","CAS.Checksum":true,"DTXSID":"DTXSID4022602","Formula":"C16H19N3O4S","All.Compound.Names":"Ampicillin|69-53-4|Dtxsid4022602","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.348,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.995,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.541,"logWSol.Reference":"EPA-CCD-OPERA","MP":167,"MP.Reference":"EPA-CCD-OPERA","MW":349.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.44","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"5.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.0813,0.016,0.413","Human.Caco2.Pab.Reference":"Lanevskij","Human.Fabs":0.65,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.03,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.93,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.62,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.85","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"69-53-4"}
{"Compound":"Amrinone","CAS":"60719-84-8","CAS.Checksum":true,"DTXSID":"DTXSID9022603","Formula":"C10H9N3O","All.Compound.Names":"Amrinone|60719-84-8|Dtxsid9022603","logHenry":-8.652,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7368,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.371,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.361,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.4,"MP.Reference":"EPA-CCD-OPERA","MW":187.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.73","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.48,13.54","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.93,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.89","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"60719-84-8"}
{"Compound":"Amsacrine","CAS":"51264-14-3","CAS.Checksum":true,"DTXSID":"DTXSID4022604","Formula":"C21H19N3O3S","All.Compound.Names":"Amsacrine|4'-(9-acridinylamino)methanesulfon-m-anisidide|Dtxsid4022604|51264-14-3","logHenry":-9.588,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.721,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.797,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.223,"logWSol.Reference":"EPA-CCD-OPERA","MP":234.9,"MP.Reference":"EPA-CCD-OPERA","MW":393.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.44","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"8.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"11","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.029","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"51264-14-3"}
{"Compound":"Amsalog","CAS":"80841-47-0","CAS.Checksum":true,"DTXSID":"DTXSID00230663","Formula":"C24H24N4O4S","All.Compound.Names":"Amsalog|Asulacrine|Dtxsid00230663|80841-47-0","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.395,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.104,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.65,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.4,"MP.Reference":"EPA-CCD-OPERA","MW":464.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.0011","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"80841-47-0"}
{"Compound":"Anidulafungin","CAS":"166663-25-8","CAS.Checksum":true,"DTXSID":"DTXSID50873201","Formula":"C58H73N7O17","All.Compound.Names":"Anidulafungin|Dtxsid50873201|166663-25-8","logHenry":-10.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.353,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.282,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.461,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.3,"MP.Reference":"EPA-CCD-OPERA","MW":1140,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.16","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"166663-25-8"}
{"Compound":"Antofloxacin","CAS":"119354-43-7","CAS.Checksum":true,"DTXSID":"DTXSID701026060","Formula":"C18H21FN4O4","All.Compound.Names":"Antofloxacin|119354-43-7","logHenry":-11.77,"logHenry.Reference":"OPERA29","logP":1.28,"logP.Reference":"OPERA29","logWSol":-2.68,"logWSol.Reference":"OPERA29","MP":228,"MP.Reference":"OPERA29","MW":376.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.37","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"1.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.82","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"119354-43-7"}
{"Compound":"Apalcillin","CAS":"63469-19-2","CAS.Checksum":true,"DTXSID":"DTXSID601016509","Formula":"C25H23N5O6S","All.Compound.Names":"Apalcillin|Dtxsid601016509|63469-19-2","logHenry":-10.85,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.04181,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.555,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.536,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.3,"MP.Reference":"EPA-CCD-OPERA","MW":521.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"63469-19-2"}
{"Compound":"Apixaban","CAS":"503612-47-3","CAS.Checksum":true,"DTXSID":"DTXSID80436500","Formula":"C25H25N5O4","All.Compound.Names":"Apixaban|Dtxsid80436500|503612-47-3","logHenry":-11.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.513,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.659,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.793,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.8,"MP.Reference":"EPA-CCD-OPERA","MW":459.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"14.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.9,0.177,4.57","Human.Caco2.Pab.Reference":"ChEMBL","Human.Funbound.plasma":"0.13","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"503612-47-3"}
{"Compound":"Apomorphine","CAS":"58-00-4","CAS.Checksum":true,"DTXSID":"DTXSID8022614","Formula":"C17H17NO2","All.Compound.Names":"Apomorphine|R-apomorphine|58-00-4|Dtxsid8022614","logHenry":-8.948,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.302,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.867,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.973,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.6,"MP.Reference":"EPA-CCD-OPERA","MW":267.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.80","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"9.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.1,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"58-00-4"}
{"Compound":"Apremilast","CAS":"608141-41-9","CAS.Checksum":true,"DTXSID":"DTXSID30976289","Formula":"C22H24N2O7S","All.Compound.Names":"Apremilast|Dtxsid30976289|608141-41-9","logHenry":-10.57,"logHenry.Reference":"OPERA29","logP":1.13,"logP.Reference":"OPERA29","logWSol":-4.4,"logWSol.Reference":"OPERA29","MP":151,"MP.Reference":"OPERA29","MW":460.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.76","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.32","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"608141-41-9"}
{"Compound":"Aprepitant","CAS":"170729-80-3","CAS.Checksum":true,"DTXSID":"DTXSID3049047","Formula":"C23H21F7N4O3","All.Compound.Names":"Aprepitant|170729-80-3|Dtxsid3049047","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2157,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.636,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.7,"MP.Reference":"EPA-CCD-OPERA","MW":534.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.57","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"6.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.66,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.6,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"170729-80-3"}
{"Compound":"Argatroban","CAS":"74863-84-6","CAS.Checksum":true,"DTXSID":"DTXSID7046467","Formula":"C23H36N6O5S","All.Compound.Names":"Argatroban|Dtxsid7046467|74863-84-6","logHenry":-10.12,"logHenry.Reference":"OPERA29","logP":1.28,"logP.Reference":"OPERA29","logWSol":-2.15,"logWSol.Reference":"OPERA29","MP":189,"MP.Reference":"OPERA29","MW":508.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.80,1.72","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"1.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.46","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"74863-84-6"}
{"Compound":"Aripiprazole","CAS":"129722-12-9","CAS.Checksum":true,"DTXSID":"DTXSID3046083","Formula":"C23H27Cl2N3O2","All.Compound.Names":"Aripiprazole|129722-12-9|Dtxsid3046083","logHenry":-7.667,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.519,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.691,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.032,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.8,"MP.Reference":"EPA-CCD-OPERA","MW":448.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.05","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.51","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.87,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"129722-12-9"}
{"Compound":"Artesunate","CAS":"88495-63-0","CAS.Checksum":true,"DTXSID":"DTXSID3042681","Formula":"C19H28O8","All.Compound.Names":"Artesunate|Dtxsid3042681|88495-63-0","logHenry":-8.19,"logHenry.Reference":"OPERA29","logP":2.05,"logP.Reference":"OPERA29","logWSol":-2.88,"logWSol.Reference":"OPERA29","MP":197,"MP.Reference":"OPERA29","MW":384.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.98,1.77,8.97","Human.Caco2.Pab.Reference":"Lanevskij","Human.Funbound.plasma":"0.25","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"88495-63-0"}
{"Compound":"Articaine","CAS":"23964-58-1","CAS.Checksum":true,"DTXSID":"DTXSID7048536","Formula":"C13H20N2O3S","All.Compound.Names":"Articaine|Dtxsid7048536|23964-58-1","logHenry":-8.077,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.889,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.277,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.186,"logWSol.Reference":"EPA-CCD-OPERA","MP":142,"MP.Reference":"EPA-CCD-OPERA","MW":284.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.46","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"23964-58-1"}
{"Compound":"Ascorbic acid","CAS":"50-81-7","CAS.Checksum":true,"DTXSID":"DTXSID5020106","Formula":"C6H8O6","All.Compound.Names":"Ascorbic acid|L-ascorbic acid|50-81-7|Dtxsid5020106","logHenry":-9.073,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.851,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.974,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3165,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.5,"MP.Reference":"EPA-CCD-OPERA","MW":176.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.26","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.82,"Human.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"50-81-7"}
{"Compound":"Asenapine","CAS":"65576-45-6","CAS.Checksum":true,"DTXSID":"DTXSID8049048","Formula":"C17H16ClNO","All.Compound.Names":"Asenapine|Dtxsid8049048|65576-45-6","logHenry":-6.95,"logHenry.Reference":"OPERA29","logP":3.93,"logP.Reference":"OPERA29","logWSol":-5.74,"logWSol.Reference":"OPERA29","MP":130,"MP.Reference":"OPERA29","MW":285.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"65576-45-6"}
{"Compound":"Astragaloside iv","CAS":"84687-43-4","CAS.Checksum":true,"DTXSID":"DTXSID801026063","Formula":"C41H68O14","All.Compound.Names":"Astragaloside iv|84687-43-4","logHenry":-10.13,"logHenry.Reference":"OPERA29","logP":1.11,"logP.Reference":"OPERA29","logWSol":-3.16,"logWSol.Reference":"OPERA29","MP":242,"MP.Reference":"OPERA29","MW":785,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.14","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"84687-43-4"}
{"Compound":"Asunaprevir","CAS":"630420-16-5","CAS.Checksum":true,"DTXSID":"DTXSID201026065","Formula":"C35H46ClN5O9S","All.Compound.Names":"Asunaprevir|630420-16-5","logHenry":-12.85,"logHenry.Reference":"OPERA29","logP":2.9,"logP.Reference":"OPERA29","logWSol":-4.18,"logWSol.Reference":"OPERA29","MP":266,"MP.Reference":"OPERA29","MW":748.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.012","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"630420-16-5"}
{"Compound":"Atomoxetine","CAS":"83015-26-3","CAS.Checksum":true,"DTXSID":"DTXSID9044297","Formula":"C17H21NO","All.Compound.Names":"Atomoxetine|83015-26-3|Dtxsid9044297","logHenry":-5.42,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.938,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.304,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.989,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.72,"MP.Reference":"EPA-CCD-OPERA","MW":255.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"12.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"43.7,19.4,98.4","Human.Caco2.Pab.Reference":"Lanevskij,ChEMBL","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.04,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.61,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.94,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"83015-26-3"}
{"Compound":"Atovaquone","CAS":"95233-18-4","CAS.Checksum":true,"DTXSID":"DTXSID7022629","Formula":"C22H19ClO3","All.Compound.Names":"Atovaquone|95233-18-4|Dtxsid7022629","logHenry":-9.42,"logHenry.Reference":"OPERA29","logP":2.95,"logP.Reference":"OPERA29","logWSol":-5.86,"logWSol.Reference":"OPERA29","MP":158,"MP.Reference":"OPERA29","MW":366.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.81","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.06,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.23,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.001","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"95233-18-4"}
{"Compound":"Atracurium","CAS":"64228-79-1","CAS.Checksum":true,"DTXSID":"DTXSID9043726","Formula":"C53H72N2O12","All.Compound.Names":"Atracurium|Dtxsid9043726|64228-79-1","logHenry":-7.927,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.674,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.998,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.933,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.7,"MP.Reference":"EPA-CCD-OPERA","MW":929.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.52","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"64228-79-1"}
{"Compound":"Atropine","CAS":"51-55-8","CAS.Checksum":true,"DTXSID":"DTXSID4020113","Formula":"C17H23NO3","All.Compound.Names":"Atropine|51-55-8|Dtxsid4020113","logHenry":-9.386,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.831,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.794,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.13,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.5,"MP.Reference":"EPA-CCD-OPERA","MW":289.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.496","Human.Clint.Reference":"Tonnelier 2012","Human.Fabs":0.98,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.59,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.86,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.5,"Human.Foral.Reference":"Varma 2010","Human.Funbound.plasma":"0.61","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"51-55-8"}
{"Compound":"Avarofloxacin","CAS":"878592-87-1","CAS.Checksum":true,"DTXSID":"DTXSID20236667","Formula":"C21H23F2N3O4","All.Compound.Names":"Avarofloxacin|Acorafloxacin|Dtxsid20236667|878592-87-1","logHenry":-9.352,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.575,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.01,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.395,"logWSol.Reference":"EPA-CCD-OPERA","MP":214,"MP.Reference":"EPA-CCD-OPERA","MW":419.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.15","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.34","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"878592-87-1"}
{"Compound":"Avibactam","CAS":"1192500-31-4","CAS.Checksum":true,"DTXSID":"DTXSID901026066","Formula":"C7H11N3O6S","All.Compound.Names":"Avibactam|1192500-31-4","logHenry":-11.65,"logHenry.Reference":"OPERA29","logP":-0.34,"logP.Reference":"OPERA29","logWSol":-1.7,"logWSol.Reference":"OPERA29","MP":184,"MP.Reference":"OPERA29","MW":265.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.93","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1192500-31-4"}
{"Compound":"Axitinib","CAS":"319460-85-0","CAS.Checksum":true,"DTXSID":"DTXSID3049049","Formula":"C22H18N4OS","All.Compound.Names":"Axitinib|Dtxsid3049049|319460-85-0","logHenry":-7.6,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.525,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.082,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.36,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.1,"MP.Reference":"EPA-CCD-OPERA","MW":386.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.004","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"319460-85-0"}
{"Compound":"Azapropazone","CAS":"13539-59-8","CAS.Checksum":true,"DTXSID":"DTXSID6045408","Formula":"C16H20N4O2","All.Compound.Names":"Azapropazone|Dtxsid6045408|13539-59-8","logHenry":-8.842,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5047,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.809,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.774,"logWSol.Reference":"EPA-CCD-OPERA","MP":246.8,"MP.Reference":"EPA-CCD-OPERA","MW":300.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.3","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.50","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.004","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"13539-59-8"}
{"Compound":"Azelastine","CAS":"58581-89-8","CAS.Checksum":true,"DTXSID":"DTXSID6022638","Formula":"C22H24ClN3O","All.Compound.Names":"Azelastine|58581-89-8|Dtxsid6022638","logHenry":-8.491,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.117,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.6,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.535,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.6,"MP.Reference":"EPA-CCD-OPERA","MW":381.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.17","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"58581-89-8"}
{"Compound":"Azimilide","CAS":"149908-53-2","CAS.Checksum":true,"DTXSID":"DTXSID10869988","Formula":"C23H28ClN5O3","All.Compound.Names":"Azimilide|Dtxsid10869988|149908-53-2","logHenry":-7.277,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.219,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.46,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.405,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.7,"MP.Reference":"EPA-CCD-OPERA","MW":458,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.70,3.05","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"5.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.06","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"149908-53-2"}
{"Compound":"Azithromycin","CAS":"83905-01-5","CAS.Checksum":true,"DTXSID":"DTXSID8030760","Formula":"C38H72N2O12","All.Compound.Names":"Azithromycin|83905-01-5|Dtxsid8030760","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.019,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.514,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.564,"logWSol.Reference":"EPA-CCD-OPERA","MP":114,"MP.Reference":"EPA-CCD-OPERA","MW":749,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.55","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.43,12.90,13.33","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat|Dog","Dog.Foral":0.97,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.05,0.465,2.36","Human.Caco2.Pab.Reference":"Lanevskij","Human.Fabs":0.6,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.97,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.58,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.34,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.88","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.46,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"83905-01-5"}
{"Compound":"Azlocillin","CAS":"37091-66-0","CAS.Checksum":true,"DTXSID":"DTXSID1022639","Formula":"C20H23N5O6S","All.Compound.Names":"Azlocillin|37091-66-0|Dtxsid1022639","logHenry":-12.21,"logHenry.Reference":"OPERA29","logP":0.94,"logP.Reference":"OPERA29","logWSol":-3.58,"logWSol.Reference":"OPERA29","MP":213,"MP.Reference":"OPERA29","MW":461.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.65","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"37091-66-0"}
{"Compound":"Aztreonam","CAS":"78110-38-0","CAS.Checksum":true,"DTXSID":"DTXSID0022640","Formula":"C13H17N5O8S2","All.Compound.Names":"Aztreonam|78110-38-0|Dtxsid0022640","logHenry":-10.57,"logHenry.Reference":"OPERA29","logP":0.13,"logP.Reference":"OPERA29","logWSol":-4,"logWSol.Reference":"OPERA29","MP":213,"MP.Reference":"OPERA29","MW":435.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.14","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"6.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.01,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.4","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"78110-38-0"}
{"Compound":"Baclofen","CAS":"1134-47-0","CAS.Checksum":true,"DTXSID":"DTXSID5022641","Formula":"C10H12ClNO2","All.Compound.Names":"Baclofen|1134-47-0|Dtxsid5022641","logHenry":-8.732,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9539,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.073,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.699,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.9,"MP.Reference":"EPA-CCD-OPERA","MW":213.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.69","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1134-47-0"}
{"Compound":"Basimglurant","CAS":"802906-73-6","CAS.Checksum":true,"DTXSID":"DTXSID801025734","Formula":"C18H13ClFN3","All.Compound.Names":"Basimglurant","MW":325.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"11","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"802906-73-6"}
{"Compound":"Batanopride","CAS":"102670-46-2","CAS.Checksum":true,"DTXSID":"DTXSID20869373","Formula":"C17H26ClN3O3","All.Compound.Names":"Batanopride|Dtxsid20869373|102670-46-2","logHenry":-10.8,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.819,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.633,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.116,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.1,"MP.Reference":"EPA-CCD-OPERA","MW":355.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"12.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.46","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"102670-46-2"}
{"Compound":"Bazedoxifene","CAS":"198481-32-2","CAS.Checksum":true,"DTXSID":"DTXSID70173593","Formula":"C30H34N2O3","All.Compound.Names":"Bazedoxifene|Dtxsid70173593|198481-32-2","logHenry":-9.856,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.03,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.675,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.157,"logWSol.Reference":"EPA-CCD-OPERA","MP":162,"MP.Reference":"EPA-CCD-OPERA","MW":470.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"17.78","Human.Clint.Reference":"Dawson 2021","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"198481-32-2"}
{"Compound":"Bb 83698","CAS":"325795-25-3","CAS.Checksum":true,"DTXSID":"DTXSID60186273","Formula":"C28H42N4O6","All.Compound.Names":"Bb 83698|Bb-83698|Dtxsid60186273|325795-25-3","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.665,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.042,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.434,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.2,"MP.Reference":"EPA-CCD-OPERA","MW":530.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.2","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"325795-25-3"}
{"Compound":"Beclabuvir","CAS":"958002-33-0","CAS.Checksum":true,"DTXSID":"DTXSID701026084","Formula":"C36H45N5O5S","All.Compound.Names":"Beclabuvir|958002-33-0","logHenry":-8.33,"logHenry.Reference":"OPERA29","logP":2.95,"logP.Reference":"OPERA29","logWSol":-5.03,"logWSol.Reference":"OPERA29","MP":263,"MP.Reference":"OPERA29","MW":659.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"958002-33-0"}
{"Compound":"Beclomethasone dipropionate","CAS":"5534-09-8","CAS.Checksum":true,"DTXSID":"DTXSID3048730","Formula":"C28H37ClO7","All.Compound.Names":"Beclomethasone dipropionate|Beclazone|Dtxsid3048730|5534-09-8","logHenry":-9.249,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.858,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.363,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.976,"logWSol.Reference":"EPA-CCD-OPERA","MP":248.9,"MP.Reference":"EPA-CCD-OPERA","MW":521,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.36","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.81,14.81","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.13","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"5534-09-8"}
{"Compound":"Belinostat","CAS":"414864-00-9","CAS.Checksum":true,"DTXSID":"DTXSID60194378","Formula":"C15H14N2O4S","All.Compound.Names":"Belinostat|Dtxsid60194378|414864-00-9","logHenry":-8.955,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.001,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.28,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.525,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.5,"MP.Reference":"EPA-CCD-OPERA","MW":318.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.7","Human.Clint.Reference":"Dawson 2021","Human.Funbound.plasma":"0.06","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"414864-00-9"}
{"Compound":"Bendamustine","CAS":"16506-27-7","CAS.Checksum":true,"DTXSID":"DTXSID2046888","Formula":"C16H21Cl2N3O2","All.Compound.Names":"Bendamustine|Dtxsid2046888|16506-27-7","logHenry":-8.318,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.936,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.475,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.947,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.5,"MP.Reference":"EPA-CCD-OPERA","MW":358.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.58","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"51","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"16506-27-7"}
{"Compound":"Benzydamine","CAS":"642-72-8","CAS.Checksum":true,"DTXSID":"DTXSID7047859","Formula":"C19H23N3O","All.Compound.Names":"Benzydamine|642-72-8|Dtxsid7047859","logHenry":-5.44,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.688,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.188,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.803,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.3,"MP.Reference":"EPA-CCD-OPERA","MW":309.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9","Human.Clint.Reference":"Jones 2017","Human.Foral":0.92,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.8","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"642-72-8"}
{"Compound":"Betamethasone","CAS":"378-44-9","CAS.Checksum":true,"DTXSID":"DTXSID3022667","Formula":"C22H29FO5","All.Compound.Names":"Betamethasone|Dtxsid3022667|378-44-9","logHenry":-10.18,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.92,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.381,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.702,"logWSol.Reference":"EPA-CCD-OPERA","MP":247.4,"MP.Reference":"EPA-CCD-OPERA","MW":392.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.36","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"378-44-9"}
{"Compound":"Betamipron","CAS":"3440-28-6","CAS.Checksum":true,"DTXSID":"DTXSID0045626","Formula":"C10H11NO3","All.Compound.Names":"Betamipron|Dtxsid0045626|3440-28-6","logHenry":-9.086,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.06,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.08,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.632,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.1,"MP.Reference":"EPA-CCD-OPERA","MW":193.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.17","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"3440-28-6"}
{"Compound":"Bevantolol","CAS":"59170-23-9","CAS.Checksum":true,"DTXSID":"DTXSID70860597","Formula":"C20H27NO4","All.Compound.Names":"Bevantolol|59170-23-9|Dtxsid70860597","logHenry":-8.786,"logHenry.Reference":"EPA-CCD-OPERA","logP":3,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.369,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.621,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.5,"MP.Reference":"EPA-CCD-OPERA","MW":345.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.31","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"11.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"22","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.57,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.015","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"59170-23-9"}
{"Compound":"Biapenem","CAS":"120410-24-4","CAS.Checksum":true,"DTXSID":"DTXSID5046435","Formula":"C15H18N4O4S","All.Compound.Names":"Biapenem|Dtxsid5046435|120410-24-4","logHenry":-10.46,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.271,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.46,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.412,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.1,"MP.Reference":"EPA-CCD-OPERA","MW":350.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.24","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.51","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.92","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"120410-24-4"}
{"Compound":"Bilastine","CAS":"202189-78-4","CAS.Checksum":true,"DTXSID":"DTXSID5057678","Formula":"C28H37N3O3","All.Compound.Names":"Bilastine|Dtxsid5057678|202189-78-4","logHenry":-7.512,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.851,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.357,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.524,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.1,"MP.Reference":"EPA-CCD-OPERA","MW":463.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.89","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.13","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"202189-78-4"}
{"Compound":"Bimatoprost","CAS":"155206-00-1","CAS.Checksum":true,"DTXSID":"DTXSID30895042","Formula":"C25H37NO4","All.Compound.Names":"Bimatoprost|Dtxsid30895042|155206-00-1","logHenry":-11.06,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.945,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.501,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.441,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.1,"MP.Reference":"EPA-CCD-OPERA","MW":415.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.12","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"155206-00-1"}
{"Compound":"Biperiden","CAS":"514-65-8","CAS.Checksum":true,"DTXSID":"DTXSID6022680","Formula":"C21H29NO","All.Compound.Names":"Biperiden|514-65-8|Dtxsid6022680","logHenry":-6.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.25,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.588,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.086,"logWSol.Reference":"EPA-CCD-OPERA","MP":114,"MP.Reference":"EPA-CCD-OPERA","MW":311.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.3","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.82","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7","Human.Clint.Reference":"Williamson 2020","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.69,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.48,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.3,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.097","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Funbound.plasma":"0.17","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"514-65-8"}
{"Compound":"Bivalirudin","CAS":"128270-60-0","CAS.Checksum":true,"DTXSID":"DTXSID00155847","Formula":"C98H138N24O33","All.Compound.Names":"Bivalirudin","MW":2180,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"128270-60-0"}
{"Compound":"Blp1654","CAS":"28889-87-4","CAS.Checksum":true,"DTXSID":"DTXSID00951523","Formula":"C18H22N6O5S","All.Compound.Names":"Blp1654|6-[(2-{[carbamimidamido(hydroxy)methylidene]amino}-1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|Dtxsid00951523|28889-87-4","logHenry":-9.146,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7373,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.788,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.264,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.6,"MP.Reference":"EPA-CCD-OPERA","MW":434.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.8","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"28889-87-4"}
{"Compound":"Bms-214662","CAS":"195987-41-8","CAS.Checksum":true,"DTXSID":"DTXSID20173260","Formula":"C25H23N5O2S2","All.Compound.Names":"Bms-214662|Bms 214662|Dtxsid20173260|195987-41-8","logHenry":-8.707,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.282,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.897,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.562,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.3,"MP.Reference":"EPA-CCD-OPERA","MW":489.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"195987-41-8"}
{"Compound":"Bortezomib","CAS":"179324-69-7","CAS.Checksum":true,"DTXSID":"DTXSID3040980","Formula":"C19H25BN4O4","All.Compound.Names":"Bortezomib|Dtxsid3040980|179324-69-7","logHenry":-10.94,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.929,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.509,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.081,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.6,"MP.Reference":"EPA-CCD-OPERA","MW":384.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.85","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.04,13.82","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7.658","Human.Clint.Reference":"Dawson 2021","Human.Funbound.plasma":"0.17","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"179324-69-7"}
{"Compound":"Brexpiprazole","CAS":"913611-97-9","CAS.Checksum":true,"DTXSID":"DTXSID40238527","Formula":"C25H27N3O2S","All.Compound.Names":"Brexpiprazole|Dtxsid40238527|913611-97-9","logHenry":-7.641,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.357,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.835,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.837,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.5,"MP.Reference":"EPA-CCD-OPERA","MW":433.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.002","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"913611-97-9"}
{"Compound":"Brivaracetam","CAS":"357336-20-0","CAS.Checksum":true,"DTXSID":"DTXSID00905081","Formula":"C11H20N2O2","All.Compound.Names":"Brivaracetam|(2s)-2-((4r)-2-oxo-4-propylpyrrolidin-1-yl)butanamide|Dtxsid00905081|357336-20-0","logHenry":-8.508,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.739,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.63,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.202,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.8,"MP.Reference":"EPA-CCD-OPERA","MW":212.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.825","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"357336-20-0"}
{"Compound":"Bromazepam","CAS":"1812-30-2","CAS.Checksum":true,"DTXSID":"DTXSID40171081","Formula":"C14H10BrN3O","All.Compound.Names":"Bromazepam|1812-30-2|Dtxsid40171081","logHenry":-9.835,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.872,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.027,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.482,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.1,"MP.Reference":"EPA-CCD-OPERA","MW":316.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.87","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.24","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.84,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.84,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.48","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1812-30-2"}
{"Compound":"Bromfenac","CAS":"91714-94-2","CAS.Checksum":true,"DTXSID":"DTXSID7040655","Formula":"C15H12BrNO3","All.Compound.Names":"Bromfenac|91714-94-2|Dtxsid7040655","logHenry":-9.627,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.706,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.631,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.231,"logWSol.Reference":"EPA-CCD-OPERA","MP":250.3,"MP.Reference":"EPA-CCD-OPERA","MW":334.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.59","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"4.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.71,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.94,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.67,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.0011","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"91714-94-2"}
{"Compound":"Bromopride","CAS":"4093-35-0","CAS.Checksum":true,"DTXSID":"DTXSID0045383","Formula":"C14H22BrN3O2","All.Compound.Names":"Bromopride|4093-35-0|Dtxsid0045383","logHenry":-9.705,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.828,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.486,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.428,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.6,"MP.Reference":"EPA-CCD-OPERA","MW":344.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.59","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.58","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.675,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.6","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"4093-35-0"}
{"Compound":"Bromotetrandrine","CAS":"62067-29-2","CAS.Checksum":true,"DTXSID":"DTXSID901026509","Formula":"C38H41BrN2O6","All.Compound.Names":"Bromotetrandrine|5-bromotetrandrine|62067-29-2","logHenry":-7.74,"logHenry.Reference":"OPERA29","logP":3.08,"logP.Reference":"OPERA29","logWSol":-6.69,"logWSol.Reference":"OPERA29","MP":214,"MP.Reference":"OPERA29","MW":701.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.22","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"62067-29-2"}
{"Compound":"Brotizolam","CAS":"57801-81-7","CAS.Checksum":true,"DTXSID":"DTXSID0022692","Formula":"C15H10BrClN4S","All.Compound.Names":"Brotizolam|57801-81-7|Dtxsid0022692","logHenry":-6.542,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.79,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.901,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.037,"logWSol.Reference":"EPA-CCD-OPERA","MP":213,"MP.Reference":"EPA-CCD-OPERA","MW":393.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.7,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.092","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"57801-81-7"}
{"Compound":"Budesonide","CAS":"51333-22-3","CAS.Checksum":true,"DTXSID":"DTXSID8020202","Formula":"C25H34O6","All.Compound.Names":"Budesonide|51333-22-3|Dtxsid8020202","logHenry":-10.21,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.837,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.719,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":253.4,"MP.Reference":"EPA-CCD-OPERA","MW":430.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"10.7,4.76,24.2","Human.Caco2.Pab.Reference":"Lanevskij","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.63,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.17,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.37,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.13","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"51333-22-3"}
{"Compound":"Buflomedil","CAS":"55837-25-7","CAS.Checksum":true,"DTXSID":"DTXSID5022697","Formula":"C17H25NO4","All.Compound.Names":"Buflomedil|55837-25-7|Dtxsid5022697","logHenry":-6.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.776,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.872,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.135,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.1,"MP.Reference":"EPA-CCD-OPERA","MW":307.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.92,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.81,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.65,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.4","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"55837-25-7"}
{"Compound":"Bufuralol","CAS":"54340-62-4","CAS.Checksum":true,"DTXSID":"DTXSID30866414","Formula":"C16H23NO2","All.Compound.Names":"Bufuralol|54340-62-4|Dtxsid30866414","logHenry":-9.466,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.499,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.885,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.015,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.88,"MP.Reference":"EPA-CCD-OPERA","MW":261.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.54","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.06","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"15.8","Human.Clint.Reference":"Sternbeck 2012","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.7,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.61,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.46,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.176","Human.Funbound.plasma.Reference":"Sternbeck 2012","Human.Rblood2plasma":0.8,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Chemical.Class":"","_row":"54340-62-4"}
{"Compound":"Bumetanide","CAS":"28395-03-1","CAS.Checksum":true,"DTXSID":"DTXSID5022699","Formula":"C17H20N2O5S","All.Compound.Names":"Bumetanide|28395-03-1|Dtxsid5022699","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.824,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.47,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.56,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.5,"MP.Reference":"EPA-CCD-OPERA","MW":364.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.70","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"6.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.82,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.96,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.031","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"28395-03-1"}
{"Compound":"Bunazosin","CAS":"80755-51-7","CAS.Checksum":true,"DTXSID":"DTXSID7022700","Formula":"C19H27N5O3","All.Compound.Names":"Bunazosin|Dtxsid7022700|80755-51-7","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.772,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.499,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.957,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.3,"MP.Reference":"EPA-CCD-OPERA","MW":373.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.06","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"80755-51-7"}
{"Compound":"Bupivacaine","CAS":"38396-39-3","CAS.Checksum":true,"DTXSID":"DTXSID2022703","Formula":"C18H28N2O","All.Compound.Names":"Bupivacaine|38396-39-3|Dtxsid2022703","logHenry":-9.572,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.41,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.35,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.08,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.8,"MP.Reference":"EPA-CCD-OPERA","MW":288.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.13","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.62","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"13.24","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.82,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.056","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.6,"Human.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"38396-39-3"}
{"Compound":"Buprenorphine","CAS":"52485-79-7","CAS.Checksum":true,"DTXSID":"DTXSID2022705","Formula":"C29H41NO4","All.Compound.Names":"Buprenorphine|52485-79-7","logHenry":-9.88,"logHenry.Reference":"OPERA29","logP":4.48,"logP.Reference":"OPERA29","logWSol":-4.47,"logWSol.Reference":"OPERA29","MP":173,"MP.Reference":"OPERA29","MW":467.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.63","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"10.42,14.30","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"30.37","Human.Clint.Reference":"Wood 2017","Human.Foral":0.28,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.04","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"52485-79-7"}
{"Compound":"Busulphan","CAS":"55-98-1","CAS.Checksum":true,"DTXSID":"DTXSID3020910","Formula":"C6H14O6S2","All.Compound.Names":"Busulphan|Busulfan|55-98-1|Dtxsid3020910","logHenry":-5.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5186,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.721,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.264,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.24,"MP.Reference":"EPA-CCD-OPERA","MW":246.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.39","Human.Clint.Reference":"Tonnelier 2012","Human.Fabs":0.94,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.83,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.9,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.7,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"55-98-1"}
{"Compound":"Butorphanol","CAS":"42408-82-2","CAS.Checksum":true,"DTXSID":"DTXSID1022714","Formula":"C21H29NO2","All.Compound.Names":"Butorphanol|42408-82-2|Dtxsid1022714","logHenry":-8.935,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.043,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.351,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.136,"logWSol.Reference":"EPA-CCD-OPERA","MP":216,"MP.Reference":"EPA-CCD-OPERA","MW":327.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.84","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.86,13.73","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.17,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.17","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"42408-82-2"}
{"Compound":"Butylbiguanide","CAS":"692-13-7","CAS.Checksum":true,"DTXSID":"DTXSID6046420","Formula":"C6H15N5","All.Compound.Names":"Butylbiguanide|Buformin|Dtxsid6046420|692-13-7","logHenry":-8.415,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.197,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.339,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.261,"logWSol.Reference":"EPA-CCD-OPERA","MP":161,"MP.Reference":"EPA-CCD-OPERA","MW":157.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.9","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"692-13-7"}
{"Compound":"Cabazitaxel","CAS":"183133-96-2","CAS.Checksum":true,"DTXSID":"DTXSID40171389","Formula":"C45H57NO14","All.Compound.Names":"Cabazitaxel|Dtxsid40171389|183133-96-2","logHenry":-10.15,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.721,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.883,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.881,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.2,"MP.Reference":"EPA-CCD-OPERA","MW":835.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.73,1.66,8.4","Human.Caco2.Pab.Reference":"ChEMBL","Human.Funbound.plasma":"0.24","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"183133-96-2"}
{"Compound":"Canagliflozin","CAS":"842133-18-0","CAS.Checksum":true,"DTXSID":"DTXSID601004469","Formula":"C24H25FO5S","All.Compound.Names":"Canagliflozin|Dtxsid601004469|842133-18-0","logHenry":-9.768,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.921,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.529,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.752,"logWSol.Reference":"EPA-CCD-OPERA","MP":241.5,"MP.Reference":"EPA-CCD-OPERA","MW":444.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"842133-18-0"}
{"Compound":"Candesartan","CAS":"139481-59-7","CAS.Checksum":true,"DTXSID":"DTXSID0022725","Formula":"C24H20N6O3","All.Compound.Names":"Candesartan|Dtxsid0022725|139481-59-7","logHenry":-10.15,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.143,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.521,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.727,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.7,"MP.Reference":"EPA-CCD-OPERA","MW":440.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.76","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"1.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.43,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.002","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"139481-59-7"}
{"Compound":"Candoxatrilat","CAS":"123122-54-3","CAS.Checksum":true,"DTXSID":"DTXSID001014436","Formula":"C20H33NO7","All.Compound.Names":"Candoxatrilat|Dtxsid001014436|123122-54-3","logHenry":-10.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.005,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.343,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.236,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.2,"MP.Reference":"EPA-CCD-OPERA","MW":399.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.8723","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"123122-54-3"}
{"Compound":"Cangrelor","CAS":"163706-06-7","CAS.Checksum":true,"DTXSID":"DTXSID90167651","Formula":"C17H25Cl2F3N5O12P3S2","All.Compound.Names":"Cangrelor|Dtxsid90167651|163706-06-7","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2139,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.793,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1065,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.8,"MP.Reference":"EPA-CCD-OPERA","MW":776.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"163706-06-7"}
{"Compound":"Captopril","CAS":"62571-86-2","CAS.Checksum":true,"DTXSID":"DTXSID1037197","Formula":"C9H15NO3S","All.Compound.Names":"Captopril|62571-86-2|Dtxsid1037197","logHenry":-9.462,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.34,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.268,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9764,"logWSol.Reference":"EPA-CCD-OPERA","MP":106,"MP.Reference":"EPA-CCD-OPERA","MW":217.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"57.11","Human.Clint.Reference":"Dawson 2021","Human.Fabs":0.84,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.74,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.69,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.73","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"62571-86-2"}
{"Compound":"Carbazeran","CAS":"70724-25-3","CAS.Checksum":true,"DTXSID":"DTXSID00220983","Formula":"C18H24N4O4","All.Compound.Names":"Carbazeran|Dtxsid00220983|70724-25-3","logHenry":-9.758,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.811,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.542,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.059,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.7,"MP.Reference":"EPA-CCD-OPERA","MW":360.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"64.57","Human.Clint.Reference":"Dawson 2021","Human.Funbound.plasma":"0.08","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"70724-25-3"}
{"Compound":"Carbenicillin","CAS":"4697-36-3","CAS.Checksum":true,"DTXSID":"DTXSID6048464","Formula":"C17H18N2O6S","All.Compound.Names":"Carbenicillin|4697-36-3|Dtxsid6048464","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.128,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.234,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.971,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.2,"MP.Reference":"EPA-CCD-OPERA","MW":378.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.35,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.52","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"4697-36-3"}
{"Compound":"Carboplatin","CAS":"41575-94-4","CAS.Checksum":true,"DTXSID":"DTXSID3046742","Formula":"C6H12N2O4Pt","All.Compound.Names":"Carboplatin","MW":371.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"41575-94-4"}
{"Compound":"Carebastine","CAS":"90729-42-3","CAS.Checksum":true,"DTXSID":"DTXSID60238246","Formula":"C32H37NO4","All.Compound.Names":"Carebastine|Dtxsid60238246|90729-42-3","logHenry":-7.44,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.191,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.999,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.133,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.9,"MP.Reference":"EPA-CCD-OPERA","MW":499.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"90729-42-3"}
{"Compound":"Carfilzomib","CAS":"868540-17-4","CAS.Checksum":true,"DTXSID":"DTXSID4048690","Formula":"C40H57N5O7","All.Compound.Names":"Carfilzomib|Dtxsid4048690|868540-17-4","logHenry":-10.72,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.806,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.763,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.573,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.6,"MP.Reference":"EPA-CCD-OPERA","MW":719.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"868540-17-4"}
{"Compound":"Carmustine (bcnu)","CAS":"154-93-8","CAS.Checksum":true,"DTXSID":"DTXSID8022743","Formula":"C5H9Cl2N3O2","All.Compound.Names":"Carmustine (bcnu)|Carmustine|N,n'-bis(2-chloroethyl)-n-nitrosourea|154-93-8|Dtxsid8022743","logHenry":-8.395,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.53,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.005,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.728,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.08,"MP.Reference":"EPA-CCD-OPERA","MW":214,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.115,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.23","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"154-93-8"}
{"Compound":"Carnitine_l","CAS":"406-76-8","CAS.Checksum":true,"DTXSID":"DTXSID3022744","Formula":"C7H15NO3","All.Compound.Names":"Carnitine_l|2-hydroxy 3-carboxyalkyl trimethyl ammonium compound c4 (2h3catmac c4)","logHenry":-6.071,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.216,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.114,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4559,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.26,"MP.Reference":"EPA-CCD-OPERA","MW":161.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"406-76-8"}
{"Compound":"Carprofen","CAS":"53716-49-7","CAS.Checksum":true,"DTXSID":"DTXSID1045871","Formula":"C15H12ClNO2","All.Compound.Names":"Carprofen|Dtxsid1045871|53716-49-7","logHenry":-10.33,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.845,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.436,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.239,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.5,"MP.Reference":"EPA-CCD-OPERA","MW":273.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.001","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"53716-49-7"}
{"Compound":"Carumonam","CAS":"87638-04-8","CAS.Checksum":true,"DTXSID":"DTXSID3048312","Formula":"C12H14N6O10S2","All.Compound.Names":"Carumonam|Dtxsid3048312|87638-04-8","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.004,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.51,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.225,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.3,"MP.Reference":"EPA-CCD-OPERA","MW":466.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.09","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"5.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.72","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"87638-04-8"}
{"Compound":"Casopitant","CAS":"414910-27-3","CAS.Checksum":true,"DTXSID":"DTXSID40961762","Formula":"C30H35F7N4O2","All.Compound.Names":"Casopitant|Dtxsid40961762|414910-27-3","logHenry":-7.273,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.999,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.68,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.465,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.8,"MP.Reference":"EPA-CCD-OPERA","MW":616.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"414910-27-3"}
{"Compound":"Caspofungin","CAS":"162808-62-0","CAS.Checksum":true,"DTXSID":"DTXSID30873204","Formula":"C52H88N10O15","All.Compound.Names":"Caspofungin|Dtxsid30873204|162808-62-0","logHenry":-11.6,"logHenry.Reference":"OPERA29","logP":0.43,"logP.Reference":"OPERA29","logWSol":-3.31,"logWSol.Reference":"OPERA29","MP":264,"MP.Reference":"OPERA29","MW":1093,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.035","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"162808-62-0"}
{"Compound":"Cefadroxil","CAS":"50370-12-2","CAS.Checksum":true,"DTXSID":"DTXSID8022749","Formula":"C16H17N3O5S","All.Compound.Names":"Cefadroxil|50370-12-2|Dtxsid8022749","logHenry":-10.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7954,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.645,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.239,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.3,"MP.Reference":"EPA-CCD-OPERA","MW":363.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.71","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.96,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.95,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.39","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"50370-12-2"}
{"Compound":"Cefamandole","CAS":"34444-01-4","CAS.Checksum":true,"DTXSID":"DTXSID7022750","Formula":"C18H18N6O5S2","All.Compound.Names":"Cefamandole|34444-01-4|Dtxsid7022750","logHenry":-10.85,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4986,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.946,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.864,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.3,"MP.Reference":"EPA-CCD-OPERA","MW":462.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.95","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.96,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.25","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"34444-01-4"}
{"Compound":"Cefatrizine","CAS":"51627-14-6","CAS.Checksum":true,"DTXSID":"DTXSID7022752","Formula":"C18H18N6O5S2","All.Compound.Names":"Cefatrizine|51627-14-6|Dtxsid7022752","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2677,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.778,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.351,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.4,"MP.Reference":"EPA-CCD-OPERA","MW":462.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.9","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.76,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.97,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.66,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.4","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"51627-14-6"}
{"Compound":"Cefepime","CAS":"88040-23-7","CAS.Checksum":true,"DTXSID":"DTXSID70873208","Formula":"C19H24N6O5S2","All.Compound.Names":"Cefepime|88040-23-7|Dtxsid70873208","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4082,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.481,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.3,"MP.Reference":"EPA-CCD-OPERA","MW":480.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.06","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"6.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.96,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.85,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.78","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"88040-23-7"}
{"Compound":"Cefetamet","CAS":"65052-63-3","CAS.Checksum":true,"DTXSID":"DTXSID00867110","Formula":"C14H15N5O5S2","All.Compound.Names":"Cefetamet|65052-63-3|Dtxsid00867110","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3966,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.995,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.752,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.5,"MP.Reference":"EPA-CCD-OPERA","MW":397.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.51","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.52,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.92,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.47,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.78","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"65052-63-3"}
{"Compound":"Cefixime","CAS":"79350-37-1","CAS.Checksum":true,"DTXSID":"DTXSID7022754","Formula":"C16H15N5O7S2","All.Compound.Names":"Cefixime|79350-37-1|Dtxsid7022754","logHenry":-12.88,"logHenry.Reference":"OPERA29","logP":-0.4,"logP.Reference":"OPERA29","logWSol":-3.78,"logWSol.Reference":"OPERA29","MP":257,"MP.Reference":"OPERA29","MW":453.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.39","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.522,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.5,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.96,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.97,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.43,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.31","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.62,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Funbound.plasma":"0.39","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.9,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"79350-37-1"}
{"Compound":"Cefmenoxime","CAS":"65085-01-0","CAS.Checksum":true,"DTXSID":"DTXSID2022755","Formula":"C16H17N9O5S3","All.Compound.Names":"Cefmenoxime|Dtxsid2022755|65085-01-0","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5674,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.918,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.985,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.2,"MP.Reference":"EPA-CCD-OPERA","MW":511.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.51","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.31","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"65085-01-0"}
{"Compound":"Cefmetazole","CAS":"56796-20-4","CAS.Checksum":true,"DTXSID":"DTXSID7022756","Formula":"C15H17N7O5S3","All.Compound.Names":"Cefmetazole|Dtxsid7022756|56796-20-4","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5993,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.28,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.854,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.2,"MP.Reference":"EPA-CCD-OPERA","MW":471.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.2","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.15","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"56796-20-4"}
{"Compound":"Cefodizime","CAS":"69739-16-8","CAS.Checksum":true,"DTXSID":"DTXSID2022757","Formula":"C20H20N6O7S4","All.Compound.Names":"Cefodizime|69739-16-8|Dtxsid2022757","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6171,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.903,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.973,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.6,"MP.Reference":"EPA-CCD-OPERA","MW":584.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.87,1.19","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"3.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.18","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"69739-16-8"}
{"Compound":"Cefonicid","CAS":"61270-58-4","CAS.Checksum":true,"DTXSID":"DTXSID7022758","Formula":"C18H18N6O8S3","All.Compound.Names":"Cefonicid|Dtxsid7022758|61270-58-4","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1735,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.318,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.583,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.4,"MP.Reference":"EPA-CCD-OPERA","MW":542.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"61270-58-4"}
{"Compound":"Cefoperazone","CAS":"62893-19-0","CAS.Checksum":true,"DTXSID":"DTXSID2022759","Formula":"C25H27N9O8S2","All.Compound.Names":"Cefoperazone|62893-19-0|Dtxsid2022759","logHenry":-10.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7376,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.999,"logWSol.Reference":"EPA-CCD-OPERA","MP":169,"MP.Reference":"EPA-CCD-OPERA","MW":645.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.72","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Human.Foral":0.1,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.07","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"62893-19-0"}
{"Compound":"Ceforanide","CAS":"60925-61-3","CAS.Checksum":true,"DTXSID":"DTXSID1022760","Formula":"C20H21N7O6S2","All.Compound.Names":"Ceforanide|Dtxsid1022760|60925-61-3","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3481,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.845,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.131,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.7,"MP.Reference":"EPA-CCD-OPERA","MW":519.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.14","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"6.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.19","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"60925-61-3"}
{"Compound":"Cefotaxime","CAS":"63527-52-6","CAS.Checksum":true,"DTXSID":"DTXSID6022761","Formula":"C16H17N5O7S2","All.Compound.Names":"Cefotaxime|Dtxsid6022761|63527-52-6","logHenry":-10.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2931,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.143,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.921,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.9,"MP.Reference":"EPA-CCD-OPERA","MW":455.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.34","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.6","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"63527-52-6"}
{"Compound":"Cefotetan","CAS":"69712-56-7","CAS.Checksum":true,"DTXSID":"DTXSID1022762","Formula":"C17H17N7O8S4","All.Compound.Names":"Cefotetan|Dtxsid1022762|69712-56-7","logHenry":-11.24,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2438,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.765,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.688,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.7,"MP.Reference":"EPA-CCD-OPERA","MW":575.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.15","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"69712-56-7"}
{"Compound":"Cefotiam","CAS":"61622-34-2","CAS.Checksum":true,"DTXSID":"DTXSID6022763","Formula":"C18H23N9O4S3","All.Compound.Names":"Cefotiam|Dtxsid6022763|61622-34-2","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.196,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.314,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.758,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.4,"MP.Reference":"EPA-CCD-OPERA","MW":525.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.38","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.5","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"61622-34-2"}
{"Compound":"Cefoxitin","CAS":"35607-66-0","CAS.Checksum":true,"DTXSID":"DTXSID1022764","Formula":"C16H17N3O7S2","All.Compound.Names":"Cefoxitin|35607-66-0|Dtxsid1022764","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.02042,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.451,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.051,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.5,"MP.Reference":"EPA-CCD-OPERA","MW":427.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.73","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"35607-66-0"}
{"Compound":"Cefozopran","CAS":"113359-04-9","CAS.Checksum":true,"DTXSID":"DTXSID701025943","Formula":"C19H17N9O5S2","All.Compound.Names":"Cefozopran|113359-04-9","logHenry":-12.82,"logHenry.Reference":"OPERA29","logP":-0.21,"logP.Reference":"OPERA29","logWSol":-3.44,"logWSol.Reference":"OPERA29","MP":188,"MP.Reference":"OPERA29","MW":515.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.74","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"113359-04-9"}
{"Compound":"Cefpiramide","CAS":"70797-11-4","CAS.Checksum":true,"DTXSID":"DTXSID6046630","Formula":"C25H24N8O7S2","All.Compound.Names":"Cefpiramide|Cefpiramide acid|Dtxsid6046630|70797-11-4","logHenry":-10.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.106,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.44,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.996,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.8,"MP.Reference":"EPA-CCD-OPERA","MW":612.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.01","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.03","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"70797-11-4"}
{"Compound":"Cefpirome","CAS":"84957-29-9","CAS.Checksum":true,"DTXSID":"DTXSID2048244","Formula":"C22H22N6O5S2","All.Compound.Names":"Cefpirome|Dtxsid2048244|84957-29-9","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.133,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.568,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.901,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.4,"MP.Reference":"EPA-CCD-OPERA","MW":514.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.15","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"7.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.9","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"84957-29-9"}
{"Compound":"Cefprozil","CAS":"92665-29-7","CAS.Checksum":true,"DTXSID":"DTXSID6022767","Formula":"C18H19N3O5S","All.Compound.Names":"Cefprozil|92665-29-7|Dtxsid6022767","logHenry":-10.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8078,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.644,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.006,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.1,"MP.Reference":"EPA-CCD-OPERA","MW":389.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.2","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.59","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"92665-29-7"}
{"Compound":"Cefroxadin","CAS":"51762-05-1","CAS.Checksum":true,"DTXSID":"DTXSID1022768","Formula":"C16H19N3O5S","All.Compound.Names":"Cefroxadin|Cefroxadine|Dtxsid1022768|51762-05-1","logHenry":-10.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7162,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.657,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.694,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.1,"MP.Reference":"EPA-CCD-OPERA","MW":365.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.57","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"51762-05-1"}
{"Compound":"Ceftaroline fosamil","CAS":"229016-73-3","CAS.Checksum":true,"DTXSID":"DTXSID60177444","Formula":"C22H21N8O8PS4","All.Compound.Names":"Ceftaroline fosamil|Dtxsid60177444|229016-73-3","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1697,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.395,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.785,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.5,"MP.Reference":"EPA-CCD-OPERA","MW":684.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.8","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"229016-73-3"}
{"Compound":"Ceftizoxime","CAS":"68401-81-0","CAS.Checksum":true,"DTXSID":"DTXSID5022772","Formula":"C13H13N5O5S2","All.Compound.Names":"Ceftizoxime|68401-81-0|Dtxsid5022772","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.05531,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.433,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.752,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.2,"MP.Reference":"EPA-CCD-OPERA","MW":383.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.99","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.72","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"68401-81-0"}
{"Compound":"Ceftobiprole","CAS":"209467-52-7","CAS.Checksum":true,"DTXSID":"DTXSID40870229","Formula":"C20H22N8O6S2","All.Compound.Names":"Ceftobiprole|Dtxsid40870229|209467-52-7","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9915,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.539,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.091,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.2,"MP.Reference":"EPA-CCD-OPERA","MW":534.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.17","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.62","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"209467-52-7"}
{"Compound":"Ceftolozane","CAS":"689293-68-3","CAS.Checksum":true,"DTXSID":"DTXSID901031217","Formula":"C23H30N12O8S2","All.Compound.Names":"Ceftolozane|689293-68-3","logHenry":-12.11,"logHenry.Reference":"OPERA29","logP":0.51,"logP.Reference":"OPERA29","logWSol":-3.19,"logWSol.Reference":"OPERA29","MP":320,"MP.Reference":"OPERA29","MW":666.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.81","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"689293-68-3"}
{"Compound":"Ceftriaxone","CAS":"73384-59-5","CAS.Checksum":true,"DTXSID":"DTXSID0022773","Formula":"C18H18N8O7S3","All.Compound.Names":"Ceftriaxone|73384-59-5|Dtxsid0022773","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.085,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.42,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.349,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.1,"MP.Reference":"EPA-CCD-OPERA","MW":554.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.69","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.129,0.0254,0.654","Human.Caco2.Pab.Reference":"Lanevskij","Human.Fabs":0.01,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"73384-59-5"}
{"Compound":"Cefuzonam","CAS":"82219-78-1","CAS.Checksum":true,"DTXSID":"DTXSID8048282","Formula":"C16H15N7O5S4","All.Compound.Names":"Cefuzonam|Dtxsid8048282|82219-78-1","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1365,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.365,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.214,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.1,"MP.Reference":"EPA-CCD-OPERA","MW":513.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.03","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.12","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"82219-78-1"}
{"Compound":"Cephalexin","CAS":"15686-71-2","CAS.Checksum":true,"DTXSID":"DTXSID9022780","Formula":"C16H17N3O4S","All.Compound.Names":"Cephalexin|15686-71-2|Dtxsid9022780","logHenry":-10.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.651,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.709,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.287,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.5,"MP.Reference":"EPA-CCD-OPERA","MW":347.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.44","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"6.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.151,0.0298,0.769","Human.Caco2.Pab.Reference":"Lanevskij","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.91,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.92,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.85","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.02,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"15686-71-2"}
{"Compound":"Cephaloridine","CAS":"50-59-9","CAS.Checksum":true,"DTXSID":"DTXSID9022782","Formula":"C19H17N3O4S2","All.Compound.Names":"Cephaloridine|Dtxsid9022782|50-59-9","logHenry":-10.11,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.615,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.84,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.945,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.5,"MP.Reference":"EPA-CCD-OPERA","MW":415.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.59","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.29,11.41,12.70","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.8","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"50-59-9"}
{"Compound":"Cephalothin","CAS":"153-61-7","CAS.Checksum":true,"DTXSID":"DTXSID4022783","Formula":"C16H16N2O6S2","All.Compound.Names":"Cephalothin|153-61-7|Dtxsid4022783","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4082,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.995,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.999,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.3,"MP.Reference":"EPA-CCD-OPERA","MW":396.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.22","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"153-61-7"}
{"Compound":"Cephapirin","CAS":"21593-23-7","CAS.Checksum":true,"DTXSID":"DTXSID9022784","Formula":"C17H17N3O6S2","All.Compound.Names":"Cephapirin|21593-23-7|Dtxsid9022784","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.148,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.79,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.609,"logWSol.Reference":"EPA-CCD-OPERA","MP":169,"MP.Reference":"EPA-CCD-OPERA","MW":423.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.00","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"3.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.55","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"21593-23-7"}
{"Compound":"Cephradine","CAS":"38821-53-3","CAS.Checksum":true,"DTXSID":"DTXSID4022785","Formula":"C16H19N3O4S","All.Compound.Names":"Cephradine|38821-53-3|Dtxsid4022785","logHenry":-10.8,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9962,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.366,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.216,"logWSol.Reference":"EPA-CCD-OPERA","MP":140,"MP.Reference":"EPA-CCD-OPERA","MW":349.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.60","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"5.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.94,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.95","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"38821-53-3"}
{"Compound":"Cerivastatin","CAS":"145599-86-6","CAS.Checksum":true,"DTXSID":"DTXSID9022786","Formula":"C26H34FNO5","All.Compound.Names":"Cerivastatin|145599-86-6|Dtxsid9022786","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.803,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.602,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.753,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.4,"MP.Reference":"EPA-CCD-OPERA","MW":459.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.58","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"10.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6.1","Human.Clint.Reference":"Pirovano 2016","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.69,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.87,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.6,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Clint":"2.292","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.029","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"145599-86-6"}
{"Compound":"Cetrorelix","CAS":"120287-85-6","CAS.Checksum":true,"DTXSID":"DTXSID7040996","Formula":"C70H92ClN17O14","All.Compound.Names":"Cetrorelix|Dtxsid7040996|120287-85-6","logHenry":-10.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.283,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.361,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.652,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.7,"MP.Reference":"EPA-CCD-OPERA","MW":1431,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.14","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"120287-85-6"}
{"Compound":"Chlorambucil","CAS":"305-03-3","CAS.Checksum":true,"DTXSID":"DTXSID7020263","Formula":"C14H19Cl2NO2","All.Compound.Names":"Chlorambucil|305-03-3|Dtxsid7020263","logHenry":-9.196,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.707,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.353,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.639,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.14,"MP.Reference":"EPA-CCD-OPERA","MW":304.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.85","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"44","Human.Clint.Reference":"Williamson 2020","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.03,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.88,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.82,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"305-03-3"}
{"Compound":"Chloramphenicol","CAS":"56-75-7","CAS.Checksum":true,"DTXSID":"DTXSID7020265","Formula":"C11H12Cl2N2O5","All.Compound.Names":"Chloramphenicol|56-75-7|Dtxsid7020265","logHenry":-9.911,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.139,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.099,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.112,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.6,"MP.Reference":"EPA-CCD-OPERA","MW":323.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"28.2,15.7,50.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0.723","Human.Clint.Reference":"Tonnelier 2012","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.98,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.91,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.82,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.34","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"56-75-7"}
{"Compound":"Chlormethiazole","CAS":"533-45-9","CAS.Checksum":true,"DTXSID":"DTXSID6022842","Formula":"C6H8ClNS","All.Compound.Names":"Chlormethiazole|Clomethiazole|533-45-9|Dtxsid6022842","logHenry":-4.171,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.12,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.887,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1262,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.88,"MP.Reference":"EPA-CCD-OPERA","MW":161.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.25,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.36","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"533-45-9"}
{"Compound":"Chloroquine","CAS":"54-05-7","CAS.Checksum":true,"DTXSID":"DTXSID2040446","Formula":"C18H26ClN3","All.Compound.Names":"Chloroquine|54-05-7|Dtxsid2040446","logHenry":-8.927,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.629,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.013,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.912,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.2,"MP.Reference":"EPA-CCD-OPERA","MW":319.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.87,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.92,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.8,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.43","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"54-05-7"}
{"Compound":"Chlorpropamide","CAS":"94-20-2","CAS.Checksum":true,"DTXSID":"DTXSID9020322","Formula":"C10H13ClN2O3S","All.Compound.Names":"Chlorpropamide|94-20-2|Dtxsid9020322","logHenry":-8.198,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.269,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.786,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.164,"logWSol.Reference":"EPA-CCD-OPERA","MP":128,"MP.Reference":"EPA-CCD-OPERA","MW":276.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.9,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.95,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.03","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"94-20-2"}
{"Compound":"Chlortetracycline","CAS":"57-62-5","CAS.Checksum":true,"DTXSID":"DTXSID9022811","Formula":"C22H23ClN2O8","All.Compound.Names":"Chlortetracycline|57-62-5|Dtxsid9022811","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6195,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.08,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.891,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.5,"MP.Reference":"EPA-CCD-OPERA","MW":478.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.09","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"6.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.3,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.52","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"57-62-5"}
{"Compound":"Chlorthalidone","CAS":"77-36-1","CAS.Checksum":true,"DTXSID":"DTXSID4022812","Formula":"C14H11ClN2O4S","All.Compound.Names":"Chlorthalidone|77-36-1|Dtxsid4022812","logHenry":-10.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8502,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.423,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.451,"logWSol.Reference":"EPA-CCD-OPERA","MP":239,"MP.Reference":"EPA-CCD-OPERA","MW":338.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.82,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.8,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.64,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.24","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.73,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"77-36-1"}
{"Compound":"Cibenzoline","CAS":"53267-01-9","CAS.Checksum":true,"DTXSID":"DTXSID9022819","Formula":"C18H18N2","All.Compound.Names":"Cibenzoline|Cifenline|53267-01-9|Dtxsid9022819","logHenry":-9.5,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.302,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.194,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.268,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.6,"MP.Reference":"EPA-CCD-OPERA","MW":262.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.03,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.81,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.86,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.5","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"53267-01-9"}
{"Compound":"Ciclesonide","CAS":"141845-82-1","CAS.Checksum":true,"DTXSID":"DTXSID9046659","Formula":"C32H44O7","All.Compound.Names":"Ciclesonide|141845-82-1|Dtxsid9046659","logHenry":-10.05,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.965,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.222,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.201,"logWSol.Reference":"EPA-CCD-OPERA","MP":254.3,"MP.Reference":"EPA-CCD-OPERA","MW":540.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"141845-82-1"}
{"Compound":"Cidofovir","CAS":"113852-37-2","CAS.Checksum":true,"DTXSID":"DTXSID3043734","Formula":"C8H14N3O6P","All.Compound.Names":"Cidofovir|113852-37-2|Dtxsid3043734","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.292,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.69,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5258,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.4,"MP.Reference":"EPA-CCD-OPERA","MW":279.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.76","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"6.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.05,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.05,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"113852-37-2"}
{"Compound":"Cilastatin","CAS":"82009-34-5","CAS.Checksum":true,"DTXSID":"DTXSID8048238","Formula":"C16H26N2O5S","All.Compound.Names":"Cilastatin|Dtxsid8048238|82009-34-5","logHenry":-9.304,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.517,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.82,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.076,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.4,"MP.Reference":"EPA-CCD-OPERA","MW":358.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.64","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.6","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"82009-34-5"}
{"Compound":"Cilomilast","CAS":"153259-65-5","CAS.Checksum":true,"DTXSID":"DTXSID6046686","Formula":"C20H25NO4","All.Compound.Names":"Cilomilast|153259-65-5|Dtxsid6046686","logHenry":-9.16,"logHenry.Reference":"OPERA29","logP":3.9,"logP.Reference":"OPERA29","logWSol":-4.23,"logWSol.Reference":"OPERA29","MP":197,"MP.Reference":"OPERA29","MW":343.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Williamson 2020","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.006","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"153259-65-5"}
{"Compound":"Cinacalcet","CAS":"226256-56-0","CAS.Checksum":true,"DTXSID":"DTXSID8048286","Formula":"C22H22F3N","All.Compound.Names":"Cinacalcet|226256-56-0|Dtxsid8048286","logHenry":-7.182,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.768,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.115,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.17,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.5,"MP.Reference":"EPA-CCD-OPERA","MW":357.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.30","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"11.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.64,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"226256-56-0"}
{"Compound":"Ciprofloxacin","CAS":"85721-33-1","CAS.Checksum":true,"DTXSID":"DTXSID8022824","Formula":"C17H18FN3O3","All.Compound.Names":"Ciprofloxacin|85721-33-1|Dtxsid8022824","logHenry":-11.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2801,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.154,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.182,"logWSol.Reference":"EPA-CCD-OPERA","MP":223.6,"MP.Reference":"EPA-CCD-OPERA","MW":331.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.91","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"-0.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.19,0.0374,0.965","Human.Caco2.Pab.Reference":"ChEMBL","Human.Clint":"4.17","Human.Clint.Reference":"Dawson 2021","Human.Fabs":0.75,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.98,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.94,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.73,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.7","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.07,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Funbound.plasma":"0.75","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.7,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"85721-33-1"}
{"Compound":"Cisapride","CAS":"81098-60-4","CAS.Checksum":true,"DTXSID":"DTXSID3022825","Formula":"C23H29ClFN3O4","All.Compound.Names":"Cisapride|81098-60-4|Dtxsid3022825","logHenry":-10.17,"logHenry.Reference":"OPERA29","logP":3.3,"logP.Reference":"OPERA29","logWSol":-4.59,"logWSol.Reference":"OPERA29","MP":110,"MP.Reference":"OPERA29","MW":466,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.4,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Funbound.plasma":"0.08","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"81098-60-4"}
{"Compound":"Cisatracurium","CAS":"96946-41-7","CAS.Checksum":true,"DTXSID":"DTXSID60873212","Formula":"C53H72N2O12","All.Compound.Names":"Cisatracurium|Dtxsid60873212|96946-41-7","logHenry":-7.927,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.674,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.998,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.933,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.7,"MP.Reference":"EPA-CCD-OPERA","MW":929.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.62","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"96946-41-7"}
{"Compound":"Citalopram","CAS":"59729-33-8","CAS.Checksum":true,"DTXSID":"DTXSID8022826","Formula":"C20H21FN2O","All.Compound.Names":"Citalopram|59729-33-8|Dtxsid8022826","logHenry":-5.404,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.497,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.128,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.684,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.9,"MP.Reference":"EPA-CCD-OPERA","MW":324.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2","Human.Clint.Reference":"Williamson 2020","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.96,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.83,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.8,"Human.Foral.Reference":"Varma 2010","Human.Funbound.plasma":"0.2","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"59729-33-8"}
{"Compound":"Clarithromycin","CAS":"81103-11-9","CAS.Checksum":true,"DTXSID":"DTXSID3022829","Formula":"C38H69NO13","All.Compound.Names":"Clarithromycin|81103-11-9|Dtxsid3022829","logHenry":-10.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.16,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.36,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.99,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.8,"MP.Reference":"EPA-CCD-OPERA","MW":748,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.46,12.94,13.41","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"11.5,5.09,25.9","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"2","Human.Clint.Reference":"Williamson 2020","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.69,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.8,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.55,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.23","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.64,"Human.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"81103-11-9"}
{"Compound":"Clavulanic acid","CAS":"58001-44-8","CAS.Checksum":true,"DTXSID":"DTXSID2022830","Formula":"C8H9NO5","All.Compound.Names":"Clavulanic acid|Clavulanic acd|58001-44-8|Dtxsid2022830","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.708,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.832,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1773,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.8,"MP.Reference":"EPA-CCD-OPERA","MW":199.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.51","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.9,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.92,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.75,"Human.Foral.Reference":"Varma 2010","Human.Funbound.plasma":"0.91","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"58001-44-8"}
{"Compound":"Clazosentan","CAS":"180384-56-9","CAS.Checksum":true,"DTXSID":"DTXSID60170955","Formula":"C25H23N9O6S","All.Compound.Names":"Clazosentan|Dtxsid60170955|180384-56-9","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.579,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.95,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.022,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.9,"MP.Reference":"EPA-CCD-OPERA","MW":577.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"180384-56-9"}
{"Compound":"Clentiazem","CAS":"96125-53-0","CAS.Checksum":true,"DTXSID":"DTXSID901028074","Formula":"C22H25ClN2O4S","All.Compound.Names":"Clentiazem|96125-53-0","logHenry":-8.72,"logHenry.Reference":"OPERA29","logP":3.62,"logP.Reference":"OPERA29","logWSol":-4.02,"logWSol.Reference":"OPERA29","MP":142,"MP.Reference":"OPERA29","MW":449,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"96125-53-0"}
{"Compound":"Clevidipine","CAS":"167221-71-8","CAS.Checksum":true,"DTXSID":"DTXSID6057661","Formula":"C21H23Cl2NO6","All.Compound.Names":"Clevidipine|Dtxsid6057661|167221-71-8","logHenry":-7.859,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.33,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.39,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.907,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.8,"MP.Reference":"EPA-CCD-OPERA","MW":456.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.0038","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"167221-71-8"}
{"Compound":"Clinafloxacin","CAS":"105956-97-6","CAS.Checksum":true,"DTXSID":"DTXSID80869455","Formula":"C17H17ClFN3O3","All.Compound.Names":"Clinafloxacin|105956-97-6|Dtxsid80869455","logHenry":-10.49,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.395,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.096,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.158,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.5,"MP.Reference":"EPA-CCD-OPERA","MW":365.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.63","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"0.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.96,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.93,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.96","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"105956-97-6"}
{"Compound":"Clindamycin","CAS":"18323-44-9","CAS.Checksum":true,"DTXSID":"DTXSID2022836","Formula":"C18H33ClN2O5S","All.Compound.Names":"Clindamycin|18323-44-9|Dtxsid2022836","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.157,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.274,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.136,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.7,"MP.Reference":"EPA-CCD-OPERA","MW":425,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.58","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.16,12.75,13.48","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5","Human.Clint.Reference":"Williamson 2020","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.05,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.83,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.61,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.06","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.76,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"18323-44-9"}
{"Compound":"Clodronate","CAS":"10596-23-3","CAS.Checksum":true,"DTXSID":"DTXSID8046959","Formula":"CH4Cl2O6P2","All.Compound.Names":"Clodronate|Clodronic acid|10596-23-3|Dtxsid8046959","logHenry":-8.032,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3438,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.726,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7332,"logWSol.Reference":"EPA-CCD-OPERA","MP":250,"MP.Reference":"EPA-CCD-OPERA","MW":244.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.64","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"10596-23-3"}
{"Compound":"Clofarabine","CAS":"123318-82-1","CAS.Checksum":true,"DTXSID":"DTXSID5046437","Formula":"C10H11ClFN5O3","All.Compound.Names":"Clofarabine|123318-82-1|Dtxsid5046437","logHenry":-8.981,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3275,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.586,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.69,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.1,"MP.Reference":"EPA-CCD-OPERA","MW":303.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.53","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"123318-82-1"}
{"Compound":"Clonidine","CAS":"4205-90-7","CAS.Checksum":true,"DTXSID":"DTXSID6022846","Formula":"C9H9Cl2N3","All.Compound.Names":"Clonidine|4205-90-7|Dtxsid6022846","logHenry":-8.846,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.596,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.514,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1068,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.1,"MP.Reference":"EPA-CCD-OPERA","MW":230.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.34","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"8.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"26,11.6,58.7","Human.Caco2.Pab.Reference":"Lanevskij","Human.Foral":0.79,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.56","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.04,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"4205-90-7"}
{"Compound":"Clopidogrel","CAS":"113665-84-2","CAS.Checksum":true,"DTXSID":"DTXSID6022848","Formula":"C16H16ClNO2S","All.Compound.Names":"Clopidogrel|113665-84-2|Dtxsid6022848","logHenry":-8.071,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.929,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.896,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.293,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.73,"MP.Reference":"EPA-CCD-OPERA","MW":321.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"113665-84-2"}
{"Compound":"Cobimetinib","CAS":"934660-93-2","CAS.Checksum":true,"DTXSID":"DTXSID60239435","Formula":"C21H21F3IN3O2","All.Compound.Names":"Cobimetinib|Dtxsid60239435|934660-93-2","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.666,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.744,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.739,"logWSol.Reference":"EPA-CCD-OPERA","MP":186,"MP.Reference":"EPA-CCD-OPERA","MW":531.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"934660-93-2"}
{"Compound":"Cocaethylene","CAS":"529-38-4","CAS.Checksum":true,"DTXSID":"DTXSID20873213","Formula":"C18H23NO4","All.Compound.Names":"Cocaethylene|Dtxsid20873213|529-38-4","logHenry":-7.671,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.445,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.144,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.61,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.98,"MP.Reference":"EPA-CCD-OPERA","MW":317.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.64","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"529-38-4"}
{"Compound":"Cocaine","CAS":"50-36-2","CAS.Checksum":true,"DTXSID":"DTXSID2038443","Formula":"C17H21NO4","All.Compound.Names":"Cocaine|50-36-2|Dtxsid2038443","logHenry":-7.644,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.299,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.361,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.242,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.98,"MP.Reference":"EPA-CCD-OPERA","MW":303.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.78","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.57,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.12","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Funbound.plasma":"0.63","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"50-36-2"}
{"Compound":"Colchicine","CAS":"64-86-8","CAS.Checksum":true,"DTXSID":"DTXSID5024845","Formula":"C22H25NO6","All.Compound.Names":"Colchicine|64-86-8|Dtxsid5024845","logHenry":-11.07,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.3,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.99,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.949,"logWSol.Reference":"EPA-CCD-OPERA","MP":156,"MP.Reference":"EPA-CCD-OPERA","MW":399.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.698","Human.Clint.Reference":"Tonnelier 2012","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.61","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"64-86-8"}
{"Compound":"Combretastatin a4 phosphate","CAS":"222030-63-9","CAS.Checksum":true,"DTXSID":"DTXSID401028843","Formula":"C18H21O8P","All.Compound.Names":"Combretastatin a4 phosphate|Fosbretabulin|222030-63-9","logHenry":-8.64,"logHenry.Reference":"OPERA29","logP":2.36,"logP.Reference":"OPERA29","logWSol":-3.16,"logWSol.Reference":"OPERA29","MP":225,"MP.Reference":"OPERA29","MW":396.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.23","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"222030-63-9"}
{"Compound":"Conivaptan","CAS":"210101-16-9","CAS.Checksum":true,"DTXSID":"DTXSID80175220","Formula":"C32H26N4O2","All.Compound.Names":"Conivaptan|210101-16-9|Dtxsid80175220","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.877,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.868,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.895,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.6,"MP.Reference":"EPA-CCD-OPERA","MW":498.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.39","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5","Human.Clint.Reference":"Williamson 2020","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.14,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.87,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.42,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"210101-16-9"}
{"Compound":"Cp-65207","CAS":"96865-21-3","CAS.Checksum":true,"DTXSID":"DTXSID80914272","Formula":"C12H14NNaO5S3","All.Compound.Names":"Cp-65207|Sodium 6-(1-hydroxyethyl)-7-oxo-3-[(1-oxo-1lambda~4~-thiolan-3-yl)sulfanyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate|Dtxsid80914272|96865-21-3","logHenry":-10.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1578,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.699,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.071,"logWSol.Reference":"EPA-CCD-OPERA","MP":170,"MP.Reference":"EPA-CCD-OPERA","MW":371.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.9","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"96865-21-3"}
{"Compound":"Crizotinib","CAS":"877399-52-5","CAS.Checksum":true,"DTXSID":"DTXSID701009329","Formula":"C21H22Cl2FN5O","All.Compound.Names":"Crizotinib|Dtxsid701009329|877399-52-5","logHenry":-6.955,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.214,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.381,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.893,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.9,"MP.Reference":"EPA-CCD-OPERA","MW":450.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.09","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"877399-52-5"}
{"Compound":"Cyclophosphamide","CAS":"50-18-0","CAS.Checksum":true,"DTXSID":"DTXSID5020364","Formula":"C7H15Cl2N2O2P","All.Compound.Names":"Cyclophosphamide|50-18-0|Dtxsid5020364","logHenry":-5.984,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6354,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.887,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8172,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.47,"MP.Reference":"EPA-CCD-OPERA","MW":261.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.02","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"7.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.86,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.96,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.93,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.87","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.06,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"50-18-0"}
{"Compound":"Cytarabine","CAS":"147-94-4","CAS.Checksum":true,"DTXSID":"DTXSID3022877","Formula":"C9H13N3O5","All.Compound.Names":"Cytarabine|147-94-4|Dtxsid3022877","logHenry":-9.873,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.508,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.89,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.357,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.5,"MP.Reference":"EPA-CCD-OPERA","MW":243.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.2,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.87","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"147-94-4"}
{"Compound":"Dabigatran","CAS":"211914-51-1","CAS.Checksum":true,"DTXSID":"DTXSID50175419","Formula":"C25H25N7O3","All.Compound.Names":"Dabigatran|Dtxsid50175419|211914-51-1","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.989,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.484,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.159,"logWSol.Reference":"EPA-CCD-OPERA","MP":202,"MP.Reference":"EPA-CCD-OPERA","MW":471.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.63","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.65","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"211914-51-1"}
{"Compound":"Dabrafenib","CAS":"1195765-45-7","CAS.Checksum":true,"DTXSID":"DTXSID20152499","Formula":"C23H20F3N5O2S2","All.Compound.Names":"Dabrafenib|Dtxsid20152499|1195765-45-7","logHenry":-9.839,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.248,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.439,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.837,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.6,"MP.Reference":"EPA-CCD-OPERA","MW":519.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"15","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.003","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1195765-45-7"}
{"Compound":"Dacarbazine","CAS":"4342-03-4","CAS.Checksum":true,"DTXSID":"DTXSID0020369","Formula":"C6H10N6O","All.Compound.Names":"Dacarbazine|Dtxsid0020369|4342-03-4","logHenry":-8.222,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.24,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.187,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.177,"logWSol.Reference":"EPA-CCD-OPERA","MP":205,"MP.Reference":"EPA-CCD-OPERA","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.07","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"4342-03-4"}
{"Compound":"Dacinostat","CAS":"404951-53-7","CAS.Checksum":true,"DTXSID":"DTXSID50870351","Formula":"C22H25N3O3","All.Compound.Names":"Dacinostat|Dtxsid50870351|404951-53-7","logHenry":-8.793,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.783,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.649,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.6,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.9,"MP.Reference":"EPA-CCD-OPERA","MW":379.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"23.62","Human.Clint.Reference":"Dawson 2021","Human.Funbound.plasma":"0.23","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"404951-53-7"}
{"Compound":"Daclatasvir","CAS":"1009119-64-5","CAS.Checksum":true,"DTXSID":"DTXSID901026404","Formula":"C40H50N8O6","All.Compound.Names":"Daclatasvir|1009119-64-5","logHenry":-10.85,"logHenry.Reference":"OPERA29","logP":4.79,"logP.Reference":"OPERA29","logWSol":-0.03,"logWSol.Reference":"OPERA29","MP":178,"MP.Reference":"OPERA29","MW":738.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1009119-64-5"}
{"Compound":"Dalbavancin","CAS":"171500-79-1","CAS.Checksum":true,"DTXSID":"DTXSID80873214","Formula":"C87H98Cl2N10O28","All.Compound.Names":"Dalbavancin","MW":1803,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"171500-79-1"}
{"Compound":"Dalfampridine","CAS":"504-24-5","CAS.Checksum":true,"DTXSID":"DTXSID0023870","Formula":"C5H6N2","All.Compound.Names":"Dalfampridine|4-aminopyridine|Dtxsid0023870|504-24-5","logHenry":-6.329,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3195,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.667,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.03155,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.2,"MP.Reference":"EPA-CCD-OPERA","MW":94.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.52","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"504-24-5"}
{"Compound":"Dalfopristin","CAS":"112362-50-2","CAS.Checksum":true,"DTXSID":"DTXSID10869549","Formula":"C34H50N4O9S","All.Compound.Names":"Dalfopristin|Dtxsid10869549|112362-50-2","logHenry":-10.05,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.805,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.989,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.189,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.4,"MP.Reference":"EPA-CCD-OPERA","MW":690.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.09","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"9.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.82","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"112362-50-2"}
{"Compound":"Danoprevir","CAS":"850876-88-9","CAS.Checksum":true,"DTXSID":"DTXSID201026403","Formula":"C35H46FN5O9S","All.Compound.Names":"Danoprevir|850876-88-9","logHenry":-12.82,"logHenry.Reference":"OPERA29","logP":2.71,"logP.Reference":"OPERA29","logWSol":-4.2,"logWSol.Reference":"OPERA29","MP":201,"MP.Reference":"OPERA29","MW":731.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"850876-88-9"}
{"Compound":"Dapagliflozin","CAS":"461432-26-8","CAS.Checksum":true,"DTXSID":"DTXSID20905104","Formula":"C21H25ClO6","All.Compound.Names":"Dapagliflozin|Dtxsid20905104|461432-26-8","logHenry":-9.949,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.891,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.541,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.047,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.3,"MP.Reference":"EPA-CCD-OPERA","MW":408.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.09","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"461432-26-8"}
{"Compound":"Dapsone","CAS":"80-08-0","CAS.Checksum":true,"DTXSID":"DTXSID4020371","Formula":"C12H12N2O2S","All.Compound.Names":"Dapsone|80-08-0|Dtxsid4020371","logHenry":-10.45,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9717,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.106,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.001,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.6,"MP.Reference":"EPA-CCD-OPERA","MW":248.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":1,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"23.5,13.1,42.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,1.5,0.907","Human.Clint.pValue":0.9066,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.95,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.88,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.295,0.168,0.5","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":1.04,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Clint":"1.39","Rat.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"80-08-0"}
{"Compound":"Daptomycin","CAS":"103060-53-3","CAS.Checksum":true,"DTXSID":"DTXSID1041009","Formula":"C72H101N17O26","All.Compound.Names":"Daptomycin|103060-53-3","MW":1621,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.083","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"103060-53-3"}
{"Compound":"Darifenacin","CAS":"133099-04-4","CAS.Checksum":true,"DTXSID":"DTXSID2048290","Formula":"C28H30N2O2","All.Compound.Names":"Darifenacin|133099-04-4|Dtxsid2048290","logHenry":-7.439,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.175,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.036,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.683,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.1,"MP.Reference":"EPA-CCD-OPERA","MW":426.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.11","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"8.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.17,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"133099-04-4"}
{"Compound":"Darunavir","CAS":"206361-99-1","CAS.Checksum":true,"DTXSID":"DTXSID0046779","Formula":"C27H37N3O7S","All.Compound.Names":"Darunavir|206361-99-1|Dtxsid0046779","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.529,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.944,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.683,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.6,"MP.Reference":"EPA-CCD-OPERA","MW":547.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.37,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"206361-99-1"}
{"Compound":"Dasabuvir","CAS":"1132935-63-7","CAS.Checksum":true,"DTXSID":"DTXSID301025953","Formula":"C26H27N3O5S","All.Compound.Names":"Dasabuvir|1132935-63-7","logHenry":-9.1,"logHenry.Reference":"OPERA29","logP":5.6,"logP.Reference":"OPERA29","logWSol":-3.27,"logWSol.Reference":"OPERA29","MP":158,"MP.Reference":"OPERA29","MW":493.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.005","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1132935-63-7"}
{"Compound":"Daunorubicin","CAS":"20830-81-3","CAS.Checksum":true,"DTXSID":"DTXSID7022883","Formula":"C27H29NO10","All.Compound.Names":"Daunorubicin|Dtxsid7022883|20830-81-3","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.83,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.683,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.14,"logWSol.Reference":"EPA-CCD-OPERA","MP":208.5,"MP.Reference":"EPA-CCD-OPERA","MW":527.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.06","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"20830-81-3"}
{"Compound":"Decitabine","CAS":"2353-33-5","CAS.Checksum":true,"DTXSID":"DTXSID7030432","Formula":"C8H12N4O4","All.Compound.Names":"Decitabine|Dtxsid7030432|2353-33-5","logHenry":-9.989,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.89,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6485,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.8,"MP.Reference":"EPA-CCD-OPERA","MW":228.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.6","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.89,14.79","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"2353-33-5"}
{"Compound":"Deferasirox","CAS":"201530-41-8","CAS.Checksum":true,"DTXSID":"DTXSID1048596","Formula":"C21H15N3O4","All.Compound.Names":"Deferasirox|201530-41-8|Dtxsid1048596","logHenry":-10.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.128,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.276,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.282,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.6,"MP.Reference":"EPA-CCD-OPERA","MW":373.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.7,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.004","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"201530-41-8"}
{"Compound":"Degarelix","CAS":"214766-78-6","CAS.Checksum":true,"DTXSID":"DTXSID801026401","Formula":"C82H103ClN18O16","All.Compound.Names":"Degarelix","MW":1632,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"214766-78-6"}
{"Compound":"Delafloxacin","CAS":"189279-58-1","CAS.Checksum":true,"DTXSID":"DTXSID40172331","Formula":"C18H12ClF3N4O4","All.Compound.Names":"Delafloxacin|Dtxsid40172331|189279-58-1","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1296,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.238,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.472,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.1,"MP.Reference":"EPA-CCD-OPERA","MW":440.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.16","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"189279-58-1"}
{"Compound":"Delorazepam (chlordesmethyldiazepam)","CAS":"2894-67-9","CAS.Checksum":true,"DTXSID":"DTXSID70183137","Formula":"C15H10Cl2N2O","All.Compound.Names":"Delorazepam (chlordesmethyldiazepam)|Delorazepam|Dtxsid70183137|2894-67-9","logHenry":-9.026,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.153,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.598,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.086,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.6,"MP.Reference":"EPA-CCD-OPERA","MW":305.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.66","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.051","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"2894-67-9"}
{"Compound":"Demethylchlortetracycline","CAS":"127-33-3","CAS.Checksum":true,"DTXSID":"DTXSID1022893","Formula":"C21H21ClN2O8","All.Compound.Names":"Demethylchlortetracycline|Demeclocycline|127-33-3|Dtxsid1022893","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8084,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.27,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.504,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.4,"MP.Reference":"EPA-CCD-OPERA","MW":464.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.09","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"7.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.66,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.59","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"127-33-3"}
{"Compound":"Deramciclane","CAS":"120444-71-5","CAS.Checksum":true,"DTXSID":"DTXSID10152862","Formula":"C20H31NO","All.Compound.Names":"Deramciclane|Dtxsid10152862|120444-71-5","logHenry":-5.059,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.757,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.083,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.828,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.66,"MP.Reference":"EPA-CCD-OPERA","MW":301.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.52","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"120444-71-5"}
{"Compound":"Desmethyldiazepam","CAS":"1088-11-5","CAS.Checksum":true,"DTXSID":"DTXSID2049000","Formula":"C15H11ClN2O","All.Compound.Names":"Desmethyldiazepam|Dtxsid2049000|1088-11-5","logHenry":-9.563,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.93,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.578,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.969,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.4,"MP.Reference":"EPA-CCD-OPERA","MW":270.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.76","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.03","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1088-11-5"}
{"Compound":"Desvenlafaxine","CAS":"93413-62-8","CAS.Checksum":true,"DTXSID":"DTXSID40869118","Formula":"C16H25NO2","All.Compound.Names":"Desvenlafaxine|O-desmethylvenlafaxine|Dtxsid40869118|93413-62-8","logHenry":-6.322,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.461,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.568,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.79,"logWSol.Reference":"EPA-CCD-OPERA","MP":128,"MP.Reference":"EPA-CCD-OPERA","MW":263.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.7","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"93413-62-8"}
{"Compound":"Dexfenfluramine","CAS":"3239-44-9","CAS.Checksum":true,"DTXSID":"DTXSID001025754","Formula":"C12H16F3N","All.Compound.Names":"Dexfenfluramine|3239-44-9","logHenry":-6.45,"logHenry.Reference":"OPERA29","logP":3.36,"logP.Reference":"OPERA29","logWSol":-4.03,"logWSol.Reference":"OPERA29","MP":-2,"MP.Reference":"OPERA29","MW":231.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.66","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"3239-44-9"}
{"Compound":"Dexloxiglumide","CAS":"119817-90-2","CAS.Checksum":true,"DTXSID":"DTXSID50152604","Formula":"C21H30Cl2N2O5","All.Compound.Names":"Dexloxiglumide|119817-90-2|Dtxsid50152604","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.827,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.812,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.692,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.8,"MP.Reference":"EPA-CCD-OPERA","MW":461.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"11","Human.Clint.Reference":"Williamson 2020","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.59,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.86,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.48,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.024","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"119817-90-2"}
{"Compound":"Dexmedetomidine","CAS":"145108-58-3","CAS.Checksum":true,"DTXSID":"DTXSID40873215","Formula":"C13H17ClN2","All.Compound.Names":"Dexmedetomidine|Dexmedetomidine hydrochloride|Dtxsid40873215|145108-58-3","logHenry":-6.331,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.543,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.825,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.163,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.4,"MP.Reference":"EPA-CCD-OPERA","MW":236.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.14","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.09","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.06","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"145108-58-3"}
{"Compound":"Dexmethylphenidate","CAS":"40431-64-9","CAS.Checksum":true,"DTXSID":"DTXSID70893769","Formula":"C14H19NO2","All.Compound.Names":"Dexmethylphenidate|Dtxsid70893769|40431-64-9","logHenry":-9.536,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2082,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.612,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.6,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.4,"MP.Reference":"EPA-CCD-OPERA","MW":233.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.87","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"40431-64-9"}
{"Compound":"Dexrazoxane","CAS":"24584-09-6","CAS.Checksum":true,"DTXSID":"DTXSID3040647","Formula":"C11H16N4O4","All.Compound.Names":"Dexrazoxane|Dexrazone|Dtxsid3040647|24584-09-6","logHenry":-10.37,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.345,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.74,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.719,"logWSol.Reference":"EPA-CCD-OPERA","MP":238,"MP.Reference":"EPA-CCD-OPERA","MW":268.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.23","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.2,11.8","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"24584-09-6"}
{"Compound":"Dezocine","CAS":"53648-55-8","CAS.Checksum":true,"DTXSID":"DTXSID2022911","Formula":"C16H23NO","All.Compound.Names":"Dezocine|Dtxsid2022911|53648-55-8","logHenry":-9.533,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.386,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.031,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.543,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.5,"MP.Reference":"EPA-CCD-OPERA","MW":245.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.08","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"53648-55-8"}
{"Compound":"Dha paclitaxel","CAS":"199796-52-6","CAS.Checksum":true,"DTXSID":"DTXSID00873216","Formula":"C69H81NO15","All.Compound.Names":"Dha paclitaxel|Dha-paclitaxel|Dtxsid00873216|199796-52-6","logHenry":-9.85,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.208,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.476,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.236,"logWSol.Reference":"EPA-CCD-OPERA","MP":227.5,"MP.Reference":"EPA-CCD-OPERA","MW":1164,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.0038","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"199796-52-6"}
{"Compound":"Diatrizoic acid (amidotrizoate)","CAS":"117-96-4","CAS.Checksum":true,"DTXSID":"DTXSID0044521","Formula":"C11H9I3N2O4","All.Compound.Names":"Diatrizoic acid (amidotrizoate)|Diatrizoic acid|117-96-4|Dtxsid0044521","logHenry":-10.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.305,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.087,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.789,"logWSol.Reference":"EPA-CCD-OPERA","MP":237.8,"MP.Reference":"EPA-CCD-OPERA","MW":613.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.05,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"117-96-4"}
{"Compound":"Diazoxide","CAS":"364-98-7","CAS.Checksum":true,"DTXSID":"DTXSID7022914","Formula":"C8H7ClN2O2S","All.Compound.Names":"Diazoxide|364-98-7|Dtxsid7022914","logHenry":-8.721,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.164,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.598,"logWSol.Reference":"EPA-CCD-OPERA","MP":330.3,"MP.Reference":"EPA-CCD-OPERA","MW":230.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.91,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.06","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"364-98-7"}
{"Compound":"Didanosine","CAS":"69655-05-6","CAS.Checksum":true,"DTXSID":"DTXSID6022927","Formula":"C10H12N4O3","All.Compound.Names":"Didanosine|2',3'-dideoxyinosine|69655-05-6|Dtxsid6022927","logHenry":-8.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.238,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.357,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.935,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.6,"MP.Reference":"EPA-CCD-OPERA","MW":236.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.69","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.93,14.67","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.9994,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Fabs":0.5,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.93,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.82,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.72,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.951,0.704,0.989","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":1.08,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Funbound.plasma":"0.97","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"69655-05-6"}
{"Compound":"Dienogest","CAS":"65928-58-7","CAS.Checksum":true,"DTXSID":"DTXSID80891478","Formula":"C20H25NO2","All.Compound.Names":"Dienogest|65928-58-7|Dtxsid80891478","logHenry":-8.424,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.463,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.226,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.767,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.5,"MP.Reference":"EPA-CCD-OPERA","MW":311.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.94,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"65928-58-7"}
{"Compound":"Diflomotecan","CAS":"220997-97-7","CAS.Checksum":true,"DTXSID":"DTXSID201026358","Formula":"C21H16F2N2O4","All.Compound.Names":"Diflomotecan|220997-97-7","logHenry":-8.67,"logHenry.Reference":"OPERA29","logP":2.35,"logP.Reference":"OPERA29","logWSol":-4.55,"logWSol.Reference":"OPERA29","MP":133,"MP.Reference":"OPERA29","MW":398.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.1257","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"220997-97-7"}
{"Compound":"Diflunisal","CAS":"22494-42-4","CAS.Checksum":true,"DTXSID":"DTXSID5022932","Formula":"C13H8F2O3","All.Compound.Names":"Diflunisal|Diflusinal|22494-42-4|Dtxsid5022932","logHenry":-7.796,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.435,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.755,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.476,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.5,"MP.Reference":"EPA-CCD-OPERA","MW":250.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"12.6,5.59,28.4","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"3.037","Human.Clint.Reference":"Wood 2017","Human.Foral":0.85,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.0016","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Chemical.Class":"","_row":"22494-42-4"}
{"Compound":"Digitoxin","CAS":"71-63-6","CAS.Checksum":true,"DTXSID":"DTXSID0022933","Formula":"C41H64O13","All.Compound.Names":"Digitoxin|71-63-6|Dtxsid0022933","logHenry":-8.013,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.34,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.209,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.286,"logWSol.Reference":"EPA-CCD-OPERA","MP":255.5,"MP.Reference":"EPA-CCD-OPERA","MW":765,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.68","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.18,13.03,13.71","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.95,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.066","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"71-63-6"}
{"Compound":"Dihydroergotamine","CAS":"511-12-6","CAS.Checksum":true,"DTXSID":"DTXSID6045614","Formula":"C33H37N5O5","All.Compound.Names":"Dihydroergotamine|511-12-6|Dtxsid6045614","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.884,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.693,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.966,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.3,"MP.Reference":"EPA-CCD-OPERA","MW":583.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.07","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"511-12-6"}
{"Compound":"Dihydroquinidine","CAS":"1435-55-8","CAS.Checksum":true,"DTXSID":"DTXSID50862110","Formula":"C20H26N2O2","All.Compound.Names":"Dihydroquinidine|Hydroquinidine|Dtxsid50862110|1435-55-8","logHenry":-8.551,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.319,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.273,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.051,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.6,"MP.Reference":"EPA-CCD-OPERA","MW":326.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.57","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.89","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.22","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1435-55-8"}
{"Compound":"Diprafenone","CAS":"81447-80-5","CAS.Checksum":true,"DTXSID":"DTXSID10868613","Formula":"C23H31NO3","All.Compound.Names":"Diprafenone|(+/-)-diprafenone|Dtxsid10868613|81447-80-5","logHenry":-7.629,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.984,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.482,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.212,"logWSol.Reference":"EPA-CCD-OPERA","MP":96,"MP.Reference":"EPA-CCD-OPERA","MW":369.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.82","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.09","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.017","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"81447-80-5"}
{"Compound":"Dipyridamole","CAS":"58-32-2","CAS.Checksum":true,"DTXSID":"DTXSID6040668","Formula":"C24H40N8O4","All.Compound.Names":"Dipyridamole|58-32-2|Dtxsid6040668","logHenry":-10.92,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.89,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.625,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.213,"logWSol.Reference":"EPA-CCD-OPERA","MP":163,"MP.Reference":"EPA-CCD-OPERA","MW":504.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"28","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.009","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"58-32-2"}
{"Compound":"Disopyramide","CAS":"3737-09-5","CAS.Checksum":true,"DTXSID":"DTXSID1045536","Formula":"C21H29N3O","All.Compound.Names":"Disopyramide|3737-09-5|Dtxsid1045536","logHenry":-8.794,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.582,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.873,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.707,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.76,"MP.Reference":"EPA-CCD-OPERA","MW":339.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.456","Human.Clint.Reference":"Tonnelier 2012","Human.Fabs":0.83,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.83,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.16","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Funbound.plasma":"0.24","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"3737-09-5"}
{"Compound":"Disufenton sodium","CAS":"168021-79-2","CAS.Checksum":true,"DTXSID":"DTXSID50895069","Formula":"C11H13NNa2O7S2","All.Compound.Names":"Disufenton sodium|Dtxsid50895069|168021-79-2","logHenry":-11.05,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2567,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.486,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.08927,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.5,"MP.Reference":"EPA-CCD-OPERA","MW":381.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.6","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"168021-79-2"}
{"Compound":"Docetaxel","CAS":"114977-28-5","CAS.Checksum":true,"DTXSID":"DTXSID0040464","Formula":"C43H53NO14","All.Compound.Names":"Docetaxel|114977-28-5|Dtxsid0040464","logHenry":-10.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.214,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.338,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.869,"logWSol.Reference":"EPA-CCD-OPERA","MP":232,"MP.Reference":"EPA-CCD-OPERA","MW":807.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.41","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.58,12.00,13.43","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.04","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"114977-28-5"}
{"Compound":"Dolasetron","CAS":"115956-12-2","CAS.Checksum":true,"DTXSID":"DTXSID4048276","Formula":"C19H20N2O3","All.Compound.Names":"Dolasetron|115956-12-2|Dtxsid4048276","logHenry":-8.73,"logHenry.Reference":"OPERA29","logP":2.1,"logP.Reference":"OPERA29","logWSol":-3.09,"logWSol.Reference":"OPERA29","MP":278,"MP.Reference":"OPERA29","MW":324.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.37","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.18","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.75,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.49","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"115956-12-2"}
{"Compound":"Domperidone","CAS":"57808-66-9","CAS.Checksum":true,"DTXSID":"DTXSID1045116","Formula":"C22H24ClN5O2","All.Compound.Names":"Domperidone|57808-66-9|Dtxsid1045116","logHenry":-10.08,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.9,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.811,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.908,"logWSol.Reference":"EPA-CCD-OPERA","MP":242.5,"MP.Reference":"EPA-CCD-OPERA","MW":425.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.24","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"19.08","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.93,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.26,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.59,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.15,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.082","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.74,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Clint":"0","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.09","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1.3,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"57808-66-9"}
{"Compound":"Dopamine","CAS":"51-61-6","CAS.Checksum":true,"DTXSID":"DTXSID6022420","Formula":"C8H11NO2","All.Compound.Names":"Dopamine|Dtxsid6022420|51-61-6","logHenry":-9.081,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9795,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.103,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.368,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.1,"MP.Reference":"EPA-CCD-OPERA","MW":153.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.87","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"51-61-6"}
{"Compound":"Doripenem","CAS":"148016-81-3","CAS.Checksum":true,"DTXSID":"DTXSID2046678","Formula":"C15H24N4O6S2","All.Compound.Names":"Doripenem|Dtxsid2046678|148016-81-3","logHenry":-10.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8434,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8391,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.3,"MP.Reference":"EPA-CCD-OPERA","MW":420.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.92","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"148016-81-3"}
{"Compound":"Doxacurium","CAS":"133814-18-3","CAS.Checksum":true,"DTXSID":"DTXSID401019852","Formula":"C56H78N2O16","All.Compound.Names":"Doxacurium|Dtxsid401019852|133814-18-3","logHenry":-5.32,"logHenry.Reference":"OPERA29","logP":1.68,"logP.Reference":"OPERA29","logWSol":-6.95,"logWSol.Reference":"OPERA29","MP":130,"MP.Reference":"OPERA29","MW":1035,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.53","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"133814-18-3"}
{"Compound":"Doxazosin","CAS":"74191-85-8","CAS.Checksum":true,"DTXSID":"DTXSID7022964","Formula":"C23H25N5O5","All.Compound.Names":"Doxazosin|74191-85-8|Dtxsid7022964","logHenry":-9.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.299,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.889,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.129,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.6,"MP.Reference":"EPA-CCD-OPERA","MW":451.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.15","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.67","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat|Dog","Dog.Foral":0.6,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.63,"Human.Foral.Reference":"Musther 2014","Human.Funbound.plasma":"0.017","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.5,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"74191-85-8"}
{"Compound":"Doxifluridine","CAS":"3094-09-5","CAS.Checksum":true,"DTXSID":"DTXSID2022967","Formula":"C9H11FN2O5","All.Compound.Names":"Doxifluridine|3094-09-5|Dtxsid2022967","logHenry":-10.24,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.816,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.02,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.33,"logWSol.Reference":"EPA-CCD-OPERA","MP":190,"MP.Reference":"EPA-CCD-OPERA","MW":246.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.63,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.71,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.4,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.61","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"3094-09-5"}
{"Compound":"Doxorubicin","CAS":"23214-92-8","CAS.Checksum":true,"DTXSID":"DTXSID8021480","Formula":"C27H29NO11","All.Compound.Names":"Doxorubicin|23214-92-8|Dtxsid8021480","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.27,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.271,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.093,"logWSol.Reference":"EPA-CCD-OPERA","MP":230,"MP.Reference":"EPA-CCD-OPERA","MW":543.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.93","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"7.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.158,0.0312,0.805","Human.Caco2.Pab.Reference":"Lanevskij","Human.Fabs":0.12,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.97,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.43,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.05,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.28","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"23214-92-8"}
{"Compound":"Doxycycline","CAS":"564-25-0","CAS.Checksum":true,"DTXSID":"DTXSID0037653","Formula":"C22H24N2O8","All.Compound.Names":"Doxycycline|564-25-0|Dtxsid0037653","logHenry":-10.92,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.02505,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.478,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.855,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.3,"MP.Reference":"EPA-CCD-OPERA","MW":444.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.62","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"7.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.94,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.94,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.12","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.7,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"564-25-0"}
{"Compound":"Dronedarone","CAS":"141626-36-0","CAS.Checksum":true,"DTXSID":"DTXSID3048653","Formula":"C31H44N2O5S","All.Compound.Names":"Dronedarone|Dtxsid3048653|141626-36-0","logHenry":-7.997,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.739,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.829,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.238,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.3,"MP.Reference":"EPA-CCD-OPERA","MW":556.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"141626-36-0"}
{"Compound":"Drotaverine","CAS":"14009-24-6","CAS.Checksum":true,"DTXSID":"DTXSID60161227","Formula":"C24H31NO4","All.Compound.Names":"Drotaverine|14009-24-6|Dtxsid60161227","logHenry":-6.901,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.313,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.405,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.406,"logWSol.Reference":"EPA-CCD-OPERA","MP":115,"MP.Reference":"EPA-CCD-OPERA","MW":397.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.69,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.85,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.58,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.12","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"14009-24-6"}
{"Compound":"Duloxetine","CAS":"116539-59-4","CAS.Checksum":true,"DTXSID":"DTXSID6048385","Formula":"C18H19NOS","All.Compound.Names":"Duloxetine|116539-59-4|Dtxsid6048385","logHenry":-9.125,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.772,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.527,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.097,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.79,"MP.Reference":"EPA-CCD-OPERA","MW":297.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"15.1,6.72,34.1","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"9","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.04","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"116539-59-4"}
{"Compound":"Edaravone","CAS":"89-25-8","CAS.Checksum":true,"DTXSID":"DTXSID9021130","Formula":"C10H10N2O","All.Compound.Names":"Edaravone|1-phenyl-3-methyl-5-pyrazolone|Dtxsid9021130|89-25-8","logHenry":-6.059,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.783,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.938,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.267,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.4,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.89","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"89-25-8"}
{"Compound":"Edoxaban","CAS":"480449-70-5","CAS.Checksum":true,"DTXSID":"DTXSID50197398","Formula":"C24H30ClN7O4S","All.Compound.Names":"Edoxaban|Dtxsid50197398|480449-70-5","logHenry":-10.8,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.034,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.519,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.878,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.3,"MP.Reference":"EPA-CCD-OPERA","MW":548.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.5","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"480449-70-5"}
{"Compound":"Eletriptan","CAS":"143322-58-1","CAS.Checksum":true,"DTXSID":"DTXSID9046861","Formula":"C22H26N2O2S","All.Compound.Names":"Eletriptan|Dtxsid9046861|143322-58-1","logHenry":-6.628,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.535,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.757,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.402,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.1,"MP.Reference":"EPA-CCD-OPERA","MW":382.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.37","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"8.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.15","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"143322-58-1"}
{"Compound":"Eliglustat","CAS":"491833-29-5","CAS.Checksum":true,"DTXSID":"DTXSID20964175","Formula":"C23H36N2O4","All.Compound.Names":"Eliglustat|N-[(1r,2r)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl]octanamide|Dtxsid20964175|491833-29-5","logHenry":-10.05,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.569,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.93,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.757,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.8,"MP.Reference":"EPA-CCD-OPERA","MW":404.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.13","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.21","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"491833-29-5"}
{"Compound":"Eltanolone","CAS":"128-20-1","CAS.Checksum":true,"DTXSID":"DTXSID1046342","Formula":"C21H34O2","All.Compound.Names":"Eltanolone|Dtxsid1046342|Pregnanolone|128-20-1","logHenry":-9.079,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.822,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.213,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.502,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.7,"MP.Reference":"EPA-CCD-OPERA","MW":318.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"128-20-1"}
{"Compound":"Enalaprilat","CAS":"76420-72-9","CAS.Checksum":true,"DTXSID":"DTXSID0048975","Formula":"C18H24N2O5","All.Compound.Names":"Enalaprilat|Enalapril acid|76420-72-9|Dtxsid0048975","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7348,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.02,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.955,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.6,"MP.Reference":"EPA-CCD-OPERA","MW":348.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.83","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"4.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.404,0.0795,2.05","Human.Caco2.Pab.Reference":"Lanevskij","Human.Fabs":0.25,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.4,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.62","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"76420-72-9"}
{"Compound":"Enalkiren","CAS":"113082-98-7","CAS.Checksum":true,"DTXSID":"DTXSID10150282","Formula":"C35H56N6O6","All.Compound.Names":"Enalkiren|Dtxsid10150282|113082-98-7","logHenry":-10.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.6,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.976,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.502,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.7,"MP.Reference":"EPA-CCD-OPERA","MW":656.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.07","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"113082-98-7"}
{"Compound":"Encainide","CAS":"66778-36-7","CAS.Checksum":true,"DTXSID":"DTXSID0022983","Formula":"C22H28N2O2","All.Compound.Names":"Encainide|Dtxsid0022983|66778-36-7","logHenry":-9.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.037,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.304,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.27,"logWSol.Reference":"EPA-CCD-OPERA","MP":109,"MP.Reference":"EPA-CCD-OPERA","MW":352.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.89","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.04","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9","Human.Clint.Reference":"Williamson 2020","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.67,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.47,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.27,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.26","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"66778-36-7"}
{"Compound":"Enfuvirtide","CAS":"159519-65-0","CAS.Checksum":true,"DTXSID":"DTXSID20166672","Formula":"C204H301N51O64","All.Compound.Names":"Enfuvirtide","MW":4492,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.08","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"159519-65-0"}
{"Compound":"Enoxacin","CAS":"74011-58-8","CAS.Checksum":true,"DTXSID":"DTXSID5022984","Formula":"C15H17FN4O3","All.Compound.Names":"Enoxacin|74011-58-8|Dtxsid5022984","logHenry":-11.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1968,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.614,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.969,"logWSol.Reference":"EPA-CCD-OPERA","MP":222,"MP.Reference":"EPA-CCD-OPERA","MW":320.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.95","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.87,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.8","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Funbound.plasma":"0.66","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"74011-58-8"}
{"Compound":"Enoximone","CAS":"77671-31-9","CAS.Checksum":true,"DTXSID":"DTXSID8045147","Formula":"C12H12N2O2S","All.Compound.Names":"Enoximone|Fenoximone|Dtxsid8045147|77671-31-9","logHenry":-7.853,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.02,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.637,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.373,"logWSol.Reference":"EPA-CCD-OPERA","MP":169,"MP.Reference":"EPA-CCD-OPERA","MW":248.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.3","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"77671-31-9"}
{"Compound":"Enprofylline","CAS":"41078-02-8","CAS.Checksum":true,"DTXSID":"DTXSID9045186","Formula":"C8H10N4O2","All.Compound.Names":"Enprofylline|Dtxsid9045186|41078-02-8","logHenry":-9.147,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3278,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.853,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.88,"logWSol.Reference":"EPA-CCD-OPERA","MP":288,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.53","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.55","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"41078-02-8"}
{"Compound":"Entacapone","CAS":"130929-57-6","CAS.Checksum":true,"DTXSID":"DTXSID5046439","Formula":"C14H15N3O5","All.Compound.Names":"Entacapone|130929-57-6|Dtxsid5046439","logHenry":-9.384,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.601,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.663,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.388,"logWSol.Reference":"EPA-CCD-OPERA","MP":222,"MP.Reference":"EPA-CCD-OPERA","MW":305.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.66","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.94,10.41","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.5,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.65,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.77,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"130929-57-6"}
{"Compound":"Epiroprim","CAS":"73090-70-7","CAS.Checksum":true,"DTXSID":"DTXSID20223355","Formula":"C19H23N5O2","All.Compound.Names":"Epiroprim|Dtxsid20223355|73090-70-7","logHenry":-6.694,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.889,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.755,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.806,"logWSol.Reference":"EPA-CCD-OPERA","MP":223.1,"MP.Reference":"EPA-CCD-OPERA","MW":353.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.12","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Funbound.plasma":"0.1","Rat.Funbound.plasma.Reference":"Uchimura 2010","Rat.Rblood2plasma":1,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"73090-70-7"}
{"Compound":"Epirubicin","CAS":"56420-45-2","CAS.Checksum":true,"DTXSID":"DTXSID0022987","Formula":"C27H29NO11","All.Compound.Names":"Epirubicin|Dtxsid0022987|56420-45-2","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.27,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.271,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.093,"logWSol.Reference":"EPA-CCD-OPERA","MP":230,"MP.Reference":"EPA-CCD-OPERA","MW":543.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.93","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"7.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.25","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"56420-45-2"}
{"Compound":"Epristeride","CAS":"119169-78-7","CAS.Checksum":true,"DTXSID":"DTXSID9048643","Formula":"C25H37NO3","All.Compound.Names":"Epristeride|119169-78-7|Dtxsid9048643","logHenry":-7.703,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.691,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.845,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.324,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.3,"MP.Reference":"EPA-CCD-OPERA","MW":399.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.39","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.93,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.93,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.03","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"119169-78-7"}
{"Compound":"Eprosartan","CAS":"133040-01-4","CAS.Checksum":true,"DTXSID":"DTXSID0022989","Formula":"C23H24N2O4S","All.Compound.Names":"Eprosartan|133040-01-4|Dtxsid0022989","logHenry":-8.721,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.556,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.062,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.062,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.9,"MP.Reference":"EPA-CCD-OPERA","MW":424.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.93","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"2.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.15,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.92,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.95,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.13,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.017","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"133040-01-4"}
{"Compound":"Eptifibatide","CAS":"188627-80-7","CAS.Checksum":true,"DTXSID":"DTXSID7046673","Formula":"C35H49N11O9S2","All.Compound.Names":"Eptifibatide|188627-80-7|Dtxsid7046673","logHenry":-10.62,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9892,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.629,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.767,"logWSol.Reference":"EPA-CCD-OPERA","MP":168,"MP.Reference":"EPA-CCD-OPERA","MW":832,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.85","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"2.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.75","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"188627-80-7"}
{"Compound":"Eravacycline","CAS":"1207283-85-9","CAS.Checksum":true,"DTXSID":"DTXSID401026285","Formula":"C27H31FN4O8","All.Compound.Names":"Eravacycline","logHenry":-12.3,"logHenry.Reference":"OPERA29","logP":-0.99,"logP.Reference":"OPERA29","logWSol":-1.9,"logWSol.Reference":"OPERA29","MP":242,"MP.Reference":"OPERA29","MW":558.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.18","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1207283-85-9"}
{"Compound":"Ergotamine","CAS":"113-15-5","CAS.Checksum":true,"DTXSID":"DTXSID9043774","Formula":"C33H35N5O5","All.Compound.Names":"Ergotamine|113-15-5|Dtxsid9043774","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.002,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.576,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.039,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.2,"MP.Reference":"EPA-CCD-OPERA","MW":581.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.54","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.70,11.64","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.02,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"113-15-5"}
{"Compound":"Eribulin","CAS":"253128-41-5","CAS.Checksum":true,"DTXSID":"DTXSID101009321","Formula":"C40H59NO11","All.Compound.Names":"Eribulin|Dtxsid101009321|253128-41-5","logHenry":-8.037,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.569,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.183,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.235,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.9,"MP.Reference":"EPA-CCD-OPERA","MW":729.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.43","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"253128-41-5"}
{"Compound":"Erlotinib","CAS":"183321-74-6","CAS.Checksum":true,"DTXSID":"DTXSID8046454","Formula":"C22H23N3O4","All.Compound.Names":"Erlotinib|183321-74-6|Dtxsid8046454","logHenry":-8.826,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.924,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.332,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.966,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.6,"MP.Reference":"EPA-CCD-OPERA","MW":393.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.59,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.07","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"183321-74-6"}
{"Compound":"Ertapenem","CAS":"153832-46-3","CAS.Checksum":true,"DTXSID":"DTXSID50165456","Formula":"C22H25N3O7S","All.Compound.Names":"Ertapenem|Dtxsid50165456|153832-46-3","logHenry":-10.48,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.109,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.403,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.687,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.6,"MP.Reference":"EPA-CCD-OPERA","MW":475.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.59","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"153832-46-3"}
{"Compound":"Esmolol","CAS":"81147-92-4","CAS.Checksum":true,"DTXSID":"DTXSID4022995","Formula":"C16H25NO4","All.Compound.Names":"Esmolol|Dtxsid4022995|81147-92-4","logHenry":-9.642,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.075,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.987,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.971,"logWSol.Reference":"EPA-CCD-OPERA","MP":117.4,"MP.Reference":"EPA-CCD-OPERA","MW":295.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.78","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.09","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.59","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"81147-92-4"}
{"Compound":"Esomeprazole","CAS":"119141-88-7","CAS.Checksum":true,"DTXSID":"DTXSID4044292","Formula":"C17H19N3O3S","All.Compound.Names":"Esomeprazole|119141-88-7|Dtxsid4044292","logHenry":-5.447,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.231,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.055,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.521,"logWSol.Reference":"EPA-CCD-OPERA","MP":156,"MP.Reference":"EPA-CCD-OPERA","MW":345.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.53,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.03","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"119141-88-7"}
{"Compound":"Estradiol","CAS":"50-28-2","CAS.Checksum":true,"DTXSID":"DTXSID0020573","Formula":"C18H24O2","All.Compound.Names":"Estradiol|17beta-estradiol|17?-estradiol|50-28-2|Dtxsid0020573","logHenry":-5.426,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.79,"logMA.Reference":"Endo 2011","logP":3.909,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.244,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.874,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.9,"MP.Reference":"EPA-CCD-OPERA","MW":272.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.07757,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"56.9,22.8,77.7,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.05,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"4.95e-06,2.47e-13,0.0386","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Foral":0.043,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"50-28-2"}
{"Compound":"Estramustine phosphate","CAS":"4891-15-0","CAS.Checksum":true,"DTXSID":"DTXSID7048667","Formula":"C23H32Cl2NO6P","All.Compound.Names":"Estramustine phosphate|4891-15-0|Dtxsid7048667","logHenry":-7.693,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.726,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.959,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.727,"logWSol.Reference":"EPA-CCD-OPERA","MP":208.7,"MP.Reference":"EPA-CCD-OPERA","MW":520.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.543,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.51,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.96,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.437,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.5","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"4891-15-0"}
{"Compound":"Ethambutol","CAS":"74-55-5","CAS.Checksum":true,"DTXSID":"DTXSID8023006","Formula":"C10H24N2O2","All.Compound.Names":"Ethambutol|74-55-5|Dtxsid8023006","logHenry":-10.06,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.018,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.386,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7443,"logWSol.Reference":"EPA-CCD-OPERA","MP":88.91,"MP.Reference":"EPA-CCD-OPERA","MW":204.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Monkey","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.85,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.18","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.96,"Human.Rblood2plasma.Reference":"Paixao 2012","Monkey.Foral":0.76,"Monkey.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"74-55-5"}
{"Compound":"Ethimizol","CAS":"64-99-3","CAS.Checksum":true,"DTXSID":"DTXSID30213984","Formula":"C9H14N4O2","All.Compound.Names":"Ethimizol|Etimizol|64-99-3|Dtxsid30213984","logHenry":-9.679,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4711,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.895,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.487,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.6,"MP.Reference":"EPA-CCD-OPERA","MW":210.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.52","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.128,"Human.Foral.Reference":"Musther 2014","Human.Funbound.plasma":"0.92","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.324,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"64-99-3"}
{"Compound":"Ethinylestradiol-3-sulfate","CAS":"24560-70-1","CAS.Checksum":true,"DTXSID":"DTXSID80873219","Formula":"C20H24O5S","All.Compound.Names":"Ethinylestradiol-3-sulfate|Dtxsid80873219|24560-70-1","logHenry":-7.424,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.974,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.436,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.7,"MP.Reference":"EPA-CCD-OPERA","MW":376.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.011","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"24560-70-1"}
{"Compound":"Etilefrine","CAS":"709-55-7","CAS.Checksum":true,"DTXSID":"DTXSID1023029","Formula":"C10H15NO2","All.Compound.Names":"Etilefrine|709-55-7|Dtxsid1023029","logHenry":-9.779,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.06431,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.06,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.945,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.5,"MP.Reference":"EPA-CCD-OPERA","MW":181.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.78","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.98,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.56,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.55,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.77","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"709-55-7"}
{"Compound":"Etomidate","CAS":"33125-97-2","CAS.Checksum":true,"DTXSID":"DTXSID5023033","Formula":"C14H16N2O2","All.Compound.Names":"Etomidate|Dtxsid5023033|33125-97-2","logHenry":-7.47,"logHenry.Reference":"OPERA29","logP":3.05,"logP.Reference":"OPERA29","logWSol":-6.72,"logWSol.Reference":"OPERA29","MP":67,"MP.Reference":"OPERA29","MW":244.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.54","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"11.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.23","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"33125-97-2"}
{"Compound":"Etonogestrel","CAS":"54048-10-1","CAS.Checksum":true,"DTXSID":"DTXSID9046782","Formula":"C22H28O2","All.Compound.Names":"Etonogestrel|54048-10-1|Dtxsid9046782","logHenry":-6.941,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.16,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.698,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.898,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.1,"MP.Reference":"EPA-CCD-OPERA","MW":324.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.76,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"54048-10-1"}
{"Compound":"Etoposide","CAS":"33419-42-0","CAS.Checksum":true,"DTXSID":"DTXSID5023035","Formula":"C29H32O13","All.Compound.Names":"Etoposide|33419-42-0|Dtxsid5023035","logHenry":-9.815,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.602,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.907,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.826,"logWSol.Reference":"EPA-CCD-OPERA","MP":243.5,"MP.Reference":"EPA-CCD-OPERA","MW":588.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog|Monkey","Dog.Foral":0.134,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.52,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.54,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.12","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Paixao 2012","Monkey.Foral":0.129,"Monkey.Foral.Reference":"Musther 2014","Rat.Foral":0.1039,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"33419-42-0"}
{"Compound":"Etoricoxib","CAS":"202409-33-4","CAS.Checksum":true,"DTXSID":"DTXSID3046457","Formula":"C18H15ClN2O2S","All.Compound.Names":"Etoricoxib|202409-33-4|Dtxsid3046457","logHenry":-5.774,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.611,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.113,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.838,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.1,"MP.Reference":"EPA-CCD-OPERA","MW":358.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.081","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"202409-33-4"}
{"Compound":"Evacetrapib","CAS":"1186486-62-3","CAS.Checksum":true,"DTXSID":"DTXSID801026275","Formula":"C30H34F6N6O2","All.Compound.Names":"Evacetrapib|1186486-62-3","logHenry":-7.41,"logHenry.Reference":"OPERA29","logP":6.02,"logP.Reference":"OPERA29","logWSol":-4.77,"logWSol.Reference":"OPERA29","MP":182,"MP.Reference":"OPERA29","MW":624.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.001","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1186486-62-3"}
{"Compound":"Ezogabine","CAS":"150812-12-7","CAS.Checksum":true,"DTXSID":"DTXSID40164615","Formula":"C16H18FN3O2","All.Compound.Names":"Ezogabine|Dtxsid40164615|150812-12-7","logHenry":-9.001,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.722,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.561,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.414,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.6,"MP.Reference":"EPA-CCD-OPERA","MW":303.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.2","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"150812-12-7"}
{"Compound":"Falipamil","CAS":"77862-92-1","CAS.Checksum":true,"DTXSID":"DTXSID70228476","Formula":"C24H32N2O5","All.Compound.Names":"Falipamil|Dtxsid70228476|77862-92-1","logHenry":-7.399,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.983,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.701,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.826,"logWSol.Reference":"EPA-CCD-OPERA","MP":127.7,"MP.Reference":"EPA-CCD-OPERA","MW":428.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.12","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"77862-92-1"}
{"Compound":"Fenoldopam","CAS":"67227-56-9","CAS.Checksum":true,"DTXSID":"DTXSID0043896","Formula":"C16H16ClNO3","All.Compound.Names":"Fenoldopam|67227-56-9|Dtxsid0043896","logHenry":-10.29,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.391,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.008,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.175,"logWSol.Reference":"EPA-CCD-OPERA","MP":196,"MP.Reference":"EPA-CCD-OPERA","MW":305.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.06,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.12","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"67227-56-9"}
{"Compound":"Fenoprofen","CAS":"29679-58-1","CAS.Checksum":true,"DTXSID":"DTXSID9023045","Formula":"C15H14O3","All.Compound.Names":"Fenoprofen|Dtxsid9023045|29679-58-1","logHenry":-8.926,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.929,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.932,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.096,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.3,"MP.Reference":"EPA-CCD-OPERA","MW":242.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"7.41,3.29,16.7","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"11.29","Human.Clint.Reference":"Wood 2017","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Chemical.Class":"","_row":"29679-58-1"}
{"Compound":"Fenoterol","CAS":"13392-18-2","CAS.Checksum":true,"DTXSID":"DTXSID4023046","Formula":"C17H21NO4","All.Compound.Names":"Fenoterol|13392-18-2|Dtxsid4023046","logHenry":-9.949,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.085,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.39,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.91,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.7,"MP.Reference":"EPA-CCD-OPERA","MW":303.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.49","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.02,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.53","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.00571,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"13392-18-2"}
{"Compound":"Fentanyl","CAS":"437-38-7","CAS.Checksum":true,"DTXSID":"DTXSID9023049","Formula":"C22H28N2O","All.Compound.Names":"Fentanyl|437-38-7|Dtxsid9023049","logHenry":-7.209,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.049,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.666,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.237,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.71,"MP.Reference":"EPA-CCD-OPERA","MW":336.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.16","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.97,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Funbound.plasma":"0.15","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"437-38-7"}
{"Compound":"Finafloxacin","CAS":"209342-40-5","CAS.Checksum":true,"DTXSID":"DTXSID10175096","Formula":"C20H19FN4O4","All.Compound.Names":"Finafloxacin|Dtxsid10175096|209342-40-5","logHenry":-10.53,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.187,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.407,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.231,"logWSol.Reference":"EPA-CCD-OPERA","MP":196,"MP.Reference":"EPA-CCD-OPERA","MW":398.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.75","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"209342-40-5"}
{"Compound":"Finasteride","CAS":"98319-26-7","CAS.Checksum":true,"DTXSID":"DTXSID3020625","Formula":"C23H36N2O2","All.Compound.Names":"Finasteride|98319-26-7|Dtxsid3020625","logHenry":-8.655,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.03,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.478,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.375,"logWSol.Reference":"EPA-CCD-OPERA","MP":252.9,"MP.Reference":"EPA-CCD-OPERA","MW":372.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.16","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"7.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.92,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.5","Human.Clint.Reference":"Dawson 2021","Human.Fabs":0.8,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.88,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.9,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.79,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.095","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.56,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"98319-26-7"}
{"Compound":"Fingolimod","CAS":"162359-55-9","CAS.Checksum":true,"DTXSID":"DTXSID40167363","Formula":"C19H33NO2","All.Compound.Names":"Fingolimod|Dtxsid40167363|162359-55-9","logHenry":-7.347,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.809,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.459,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.686,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.1,"MP.Reference":"EPA-CCD-OPERA","MW":307.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.002","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"162359-55-9"}
{"Compound":"Flavopiridol","CAS":"146426-40-6","CAS.Checksum":true,"DTXSID":"DTXSID20904970","Formula":"C21H20ClNO5","All.Compound.Names":"Flavopiridol|Dtxsid20904970|146426-40-6","logHenry":-10.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.678,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.691,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.499,"logWSol.Reference":"EPA-CCD-OPERA","MP":225.7,"MP.Reference":"EPA-CCD-OPERA","MW":401.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.31","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"9.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.06","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"146426-40-6"}
{"Compound":"Flecainide","CAS":"54143-55-4","CAS.Checksum":true,"DTXSID":"DTXSID8023054","Formula":"C17H20F6N2O3","All.Compound.Names":"Flecainide|54143-55-4|Dtxsid8023054","logHenry":-8.065,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.781,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.378,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.439,"logWSol.Reference":"EPA-CCD-OPERA","MP":146,"MP.Reference":"EPA-CCD-OPERA","MW":414.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.52","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.81,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.99,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.88,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.9,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.52","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.89,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"54143-55-4"}
{"Compound":"Flomoxef","CAS":"99665-00-6","CAS.Checksum":true,"DTXSID":"DTXSID5048845","Formula":"C15H18F2N6O7S2","All.Compound.Names":"Flomoxef|Dtxsid5048845|99665-00-6","logHenry":-11.31,"logHenry.Reference":"OPERA29","logP":-1.2,"logP.Reference":"OPERA29","logWSol":-3.04,"logWSol.Reference":"OPERA29","MP":243,"MP.Reference":"OPERA29","MW":496.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.13","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.64","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"99665-00-6"}
{"Compound":"Flucloxacillin","CAS":"5250-39-5","CAS.Checksum":true,"DTXSID":"DTXSID8023056","Formula":"C19H17ClFN3O5S","All.Compound.Names":"Flucloxacillin|Floxacillin|5250-39-5|Dtxsid8023056","logHenry":-10.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.58,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.061,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.201,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.9,"MP.Reference":"EPA-CCD-OPERA","MW":453.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.6,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.043","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"5250-39-5"}
{"Compound":"Flucytosine","CAS":"2022-85-7","CAS.Checksum":true,"DTXSID":"DTXSID3023059","Formula":"C4H4FN3O","All.Compound.Names":"Flucytosine|2022-85-7|Dtxsid3023059","logHenry":-8.039,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9972,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.963,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9351,"logWSol.Reference":"EPA-CCD-OPERA","MP":295.9,"MP.Reference":"EPA-CCD-OPERA","MW":129.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.42","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.48","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.88,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.95,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.84,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"2022-85-7"}
{"Compound":"Fludarabine","CAS":"21679-14-1","CAS.Checksum":true,"DTXSID":"DTXSID4039657","Formula":"C10H12FN5O4","All.Compound.Names":"Fludarabine|21679-14-1|Dtxsid4039657","logHenry":-8.943,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8009,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.2,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.336,"logWSol.Reference":"EPA-CCD-OPERA","MP":259.9,"MP.Reference":"EPA-CCD-OPERA","MW":285.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.01","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.45,13.89,14.78","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.575,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.76","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"21679-14-1"}
{"Compound":"Flumazenil","CAS":"78755-81-4","CAS.Checksum":true,"DTXSID":"DTXSID2023064","Formula":"C15H14FN3O3","All.Compound.Names":"Flumazenil|78755-81-4|Dtxsid2023064","logHenry":-9.403,"logHenry.Reference":"EPA-CCD-OPERA","logP":1,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.75,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.23,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.9,"MP.Reference":"EPA-CCD-OPERA","MW":303.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6.231","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.55,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.31,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.32,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.58","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.28,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"78755-81-4"}
{"Compound":"Flunisolide","CAS":"3385-03-3","CAS.Checksum":true,"DTXSID":"DTXSID1045534","Formula":"C24H31FO6","All.Compound.Names":"Flunisolide|3385-03-3|Dtxsid1045534","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.633,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.869,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.484,"logWSol.Reference":"EPA-CCD-OPERA","MP":268.5,"MP.Reference":"EPA-CCD-OPERA","MW":434.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Mouse|Rat|Dog|Monkey","Dog.Foral":0.5504,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.067,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.24","Human.Funbound.plasma.Reference":"Lombardo 2018","Monkey.Foral":0.04878,"Monkey.Foral.Reference":"Musther 2014","Mouse.Foral":0.5569,"Mouse.Foral.Reference":"Musther 2014","Rat.Foral":0.9917,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"3385-03-3"}
{"Compound":"Fluocortolone","CAS":"152-97-6","CAS.Checksum":true,"DTXSID":"DTXSID00861835","Formula":"C22H29FO4","All.Compound.Names":"Fluocortolone|152-97-6|Dtxsid00861835","logHenry":-10.27,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.319,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.065,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.607,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.2,"MP.Reference":"EPA-CCD-OPERA","MW":376.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.04","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"152-97-6"}
{"Compound":"Fluorescein","CAS":"2321-07-5","CAS.Checksum":true,"DTXSID":"DTXSID0038887","Formula":"C20H12O5","All.Compound.Names":"Fluorescein|2321-07-5","logHenry":-5.763,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.69,"logP.Reference":"OPERA29","logWSol":-3.28,"logWSol.Reference":"OPERA29","MP":203.3,"MP.Reference":"EPA-CCD-OPERA","MW":332.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.72;9.32","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.421,0.104,1.71","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9996,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.151,0.098,0.254","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2321-07-5"}
{"Compound":"Fluorodideoxycytidine, 2- (2fddc)","CAS":"119555-47-4","CAS.Checksum":true,"DTXSID":"DTXSID80923001","Formula":"C9H12FN3O3","All.Compound.Names":"Fluorodideoxycytidine, 2- (2fddc)|1-(2,3-dideoxy-2-fluoropentofuranosyl)-4-imino-1,4-dihydropyrimidin-2-ol|Dtxsid80923001|119555-47-4","logHenry":-9.638,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.167,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.058,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8616,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.9,"MP.Reference":"EPA-CCD-OPERA","MW":229.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"119555-47-4"}
{"Compound":"Fluorouracil, 5-","CAS":"51-21-8","CAS.Checksum":true,"DTXSID":"DTXSID2020634","Formula":"C4H3FN2O2","All.Compound.Names":"Fluorouracil, 5-|Fluorouracil|5-fluorouracil|51-21-8|Dtxsid2020634","logHenry":-7.819,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8894,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.95,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.05,"logWSol.Reference":"EPA-CCD-OPERA","MP":283.1,"MP.Reference":"EPA-CCD-OPERA","MW":130.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.82,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.64","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.09,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.28,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"1","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.93,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"51-21-8"}
{"Compound":"Fluphenazine","CAS":"69-23-8","CAS.Checksum":true,"DTXSID":"DTXSID2023068","Formula":"C22H26F3N3OS","All.Compound.Names":"Fluphenazine|69-23-8|Dtxsid2023068","logHenry":-8.909,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.361,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.036,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.151,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.1,"MP.Reference":"EPA-CCD-OPERA","MW":437.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7.399","Human.Clint.Reference":"Wood 2017","Human.Foral":0.1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.04","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.69,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"69-23-8"}
{"Compound":"Flupirtine","CAS":"56995-20-1","CAS.Checksum":true,"DTXSID":"DTXSID4048436","Formula":"C15H17FN4O2","All.Compound.Names":"Flupirtine|56995-20-1|Dtxsid4048436","logHenry":-9.715,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.463,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.834,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.982,"logWSol.Reference":"EPA-CCD-OPERA","MP":115.6,"MP.Reference":"EPA-CCD-OPERA","MW":304.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.05","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.90","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.96,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.94,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.15","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"56995-20-1"}
{"Compound":"Fluticasone propionate","CAS":"80474-14-2","CAS.Checksum":true,"DTXSID":"DTXSID8045511","Formula":"C25H31F3O5S","All.Compound.Names":"Fluticasone propionate|80474-14-2|Dtxsid8045511","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.102,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.185,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.519,"logWSol.Reference":"EPA-CCD-OPERA","MP":248.3,"MP.Reference":"EPA-CCD-OPERA","MW":500.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.71","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.56,14.48","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"80474-14-2"}
{"Compound":"Fluvastatin","CAS":"93957-54-1","CAS.Checksum":true,"DTXSID":"DTXSID2020636","Formula":"C24H26FNO4","All.Compound.Names":"Fluvastatin|93957-54-1|Dtxsid2020636","logHenry":-10.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.517,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.872,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.091,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.1,"MP.Reference":"EPA-CCD-OPERA","MW":411.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Mouse|Rat|Dog|Monkey","Dog.Foral":0.41,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.79,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.3,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.24,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.0079","Human.Funbound.plasma.Reference":"Lombardo 2018","Monkey.Foral":0.16,"Monkey.Foral.Reference":"Musther 2014","Mouse.Foral":0.35,"Mouse.Foral.Reference":"Musther 2014","Rat.Foral":0.864,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"93957-54-1"}
{"Compound":"Fluvoxamine","CAS":"54739-18-3","CAS.Checksum":true,"DTXSID":"DTXSID2044002","Formula":"C15H21F3N2O2","All.Compound.Names":"Fluvoxamine|54739-18-3|Dtxsid2044002","logHenry":-8.046,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.863,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.437,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.025,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.86,"MP.Reference":"EPA-CCD-OPERA","MW":318.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.53,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.2","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"54739-18-3"}
{"Compound":"Folic acid","CAS":"59-30-3","CAS.Checksum":true,"DTXSID":"DTXSID0022519","Formula":"C19H19N7O6","All.Compound.Names":"Folic acid|59-30-3|Dtxsid0022519","logHenry":-10.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.03215,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.57,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.437,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.8,"MP.Reference":"EPA-CCD-OPERA","MW":441.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.02","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.19,0.663,2.14","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.993","Human.Clint.pValue":0.9927,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.75,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.0436,4.12e-13,0.962","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"59-30-3"}
{"Compound":"Folinic acid","CAS":"58-05-9","CAS.Checksum":true,"DTXSID":"DTXSID0048216","Formula":"C20H23N7O7","All.Compound.Names":"Folinic acid|58-05-9|Dtxsid0048216","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6479,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.18,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.186,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.8,"MP.Reference":"EPA-CCD-OPERA","MW":473.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.06,2.60","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"3.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.36,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.14,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.8,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.04,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.087","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"58-05-9"}
{"Compound":"Fondaparinux","CAS":"104993-28-4","CAS.Checksum":true,"DTXSID":"DTXSID10146903","Formula":"C31H53N3O49S8","All.Compound.Names":"Fondaparinux|Heparin pentasaccharide|Dtxsid10146903|104993-28-4","logHenry":-10.57,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.612,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.373,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.1,"MP.Reference":"EPA-CCD-OPERA","MW":1508,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.21","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"104993-28-4"}
{"Compound":"Fosaprepitant","CAS":"172673-20-0","CAS.Checksum":true,"DTXSID":"DTXSID801021651","Formula":"C23H22F7N4O6P","All.Compound.Names":"Fosaprepitant|172673-20-0","logHenry":-11.75,"logHenry.Reference":"OPERA29","logP":2.85,"logP.Reference":"OPERA29","logWSol":-3.6,"logWSol.Reference":"OPERA29","MP":163,"MP.Reference":"OPERA29","MW":614.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"172673-20-0"}
{"Compound":"Foscarnet","CAS":"4428-95-9","CAS.Checksum":true,"DTXSID":"DTXSID0048478","Formula":"CH3O5P","All.Compound.Names":"Foscarnet|4428-95-9|Dtxsid0048478","logHenry":-8.396,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.675,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.934,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2654,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.3,"MP.Reference":"EPA-CCD-OPERA","MW":126,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.17,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.78,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.09,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.85","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.27,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"4428-95-9"}
{"Compound":"Fosfluconazole","CAS":"194798-83-9","CAS.Checksum":true,"DTXSID":"DTXSID3048601","Formula":"C13H13F2N6O4P","All.Compound.Names":"Fosfluconazole|Dtxsid3048601|194798-83-9","logHenry":-9.873,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3546,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.032,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.926,"logWSol.Reference":"EPA-CCD-OPERA","MP":168,"MP.Reference":"EPA-CCD-OPERA","MW":386.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.9","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.87,5.95","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.042","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"194798-83-9"}
{"Compound":"Fosfomycin","CAS":"23155-02-4","CAS.Checksum":true,"DTXSID":"DTXSID4048480","Formula":"C3H7O4P","All.Compound.Names":"Fosfomycin|23155-02-4|Dtxsid4048480","logHenry":-7.453,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.028,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.888,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4471,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.99,"MP.Reference":"EPA-CCD-OPERA","MW":138.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.29,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.31,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.31,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"23155-02-4"}
{"Compound":"Fosinoprilat","CAS":"95399-71-6","CAS.Checksum":true,"DTXSID":"DTXSID80869253","Formula":"C23H34NO5P","All.Compound.Names":"Fosinoprilat|Dtxsid80869253|95399-71-6","logHenry":-8.534,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.016,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.624,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.432,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.7,"MP.Reference":"EPA-CCD-OPERA","MW":435.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.006","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"95399-71-6"}
{"Compound":"Fosphenytoin","CAS":"93390-81-9","CAS.Checksum":true,"DTXSID":"DTXSID9044299","Formula":"C16H15N2O6P","All.Compound.Names":"Fosphenytoin|Dtxsid9044299|93390-81-9","logHenry":-10.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.09,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.309,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.098,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.6,"MP.Reference":"EPA-CCD-OPERA","MW":362.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"93390-81-9"}
{"Compound":"Frovatriptan","CAS":"158747-02-5","CAS.Checksum":true,"DTXSID":"DTXSID0023080","Formula":"C14H17N3O","All.Compound.Names":"Frovatriptan|158747-02-5|Dtxsid0023080","logHenry":-10.37,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.02586,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.239,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.505,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.1,"MP.Reference":"EPA-CCD-OPERA","MW":243.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.42","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"12.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.4,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.69,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.94,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.27,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.85","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"158747-02-5"}
{"Compound":"Fulvestrant","CAS":"129453-61-8","CAS.Checksum":true,"DTXSID":"DTXSID4022369","Formula":"C32H47F5O3S","All.Compound.Names":"Fulvestrant|Dtxsid4022369|129453-61-8","logHenry":-7.543,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.967,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2689,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.643,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.5,"MP.Reference":"EPA-CCD-OPERA","MW":606.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.8","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.32","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.4,0,3.98,0.105","Human.Clint.pValue":0.1052,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00264,0.000536,0.0172","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"PFAS","_row":"129453-61-8"}
{"Compound":"Fusidate sodium","CAS":"751-94-0","CAS.Checksum":true,"DTXSID":"DTXSID9045552","Formula":"C31H47NaO6","All.Compound.Names":"Fusidate sodium|Dtxsid9045552|751-94-0","logHenry":-9.226,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.058,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.375,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.041,"logWSol.Reference":"EPA-CCD-OPERA","MP":221.9,"MP.Reference":"EPA-CCD-OPERA","MW":538.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"751-94-0"}
{"Compound":"Gabapentin","CAS":"60142-96-3","CAS.Checksum":true,"DTXSID":"DTXSID0020074","Formula":"C9H17NO2","All.Compound.Names":"Gabapentin|60142-96-3|Dtxsid0020074","logHenry":-7.524,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.1,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.02,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7531,"logWSol.Reference":"EPA-CCD-OPERA","MP":202,"MP.Reference":"EPA-CCD-OPERA","MW":171.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.91","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"3.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Mouse|Rat|Dog|Monkey","Dog.Foral":0.8,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.51,0.672,3.41","Human.Caco2.Pab.Reference":"Lanevskij","Human.Fabs":0.6,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.62,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.97","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.1,"Human.Rblood2plasma.Reference":"Paixao 2012","Monkey.Foral":0.401,"Monkey.Foral.Reference":"Musther 2014","Mouse.Foral":0.79,"Mouse.Foral.Reference":"Musther 2014","Rat.Foral":0.79,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"60142-96-3"}
{"Compound":"Gadobenate","CAS":"113662-23-0","CAS.Checksum":true,"DTXSID":"DTXSID00921145","Formula":"C22H28GdN3O11","All.Compound.Names":"Gadobenate|Gadobenic acid|Dtxsid00921145|113662-23-0","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.003,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.5,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8335,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.1,"MP.Reference":"EPA-CCD-OPERA","MW":667.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"113662-23-0"}
{"Compound":"Gadobutrol","CAS":"770691-21-9","CAS.Checksum":true,"DTXSID":"DTXSID101027434","Formula":"C18H31GdN4O9","All.Compound.Names":"Gadobutrol|770691-21-9","logHenry":-10.42,"logHenry.Reference":"OPERA29","logP":-1.88,"logP.Reference":"OPERA29","logWSol":-0.19,"logWSol.Reference":"OPERA29","MP":116,"MP.Reference":"OPERA29","MW":604.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"770691-21-9"}
{"Compound":"Gadofosveset","CAS":"742680-48-4","CAS.Checksum":true,"DTXSID":"DTXSID101027791","Formula":"C33H38GdN3O14P","All.Compound.Names":"Gadofosveset|Gadofosveset parent|742680-48-4","logHenry":-11.74,"logHenry.Reference":"OPERA29","logP":2.19,"logP.Reference":"OPERA29","logWSol":-1.31,"logWSol.Reference":"OPERA29","MP":173,"MP.Reference":"OPERA29","MW":888.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.16","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"742680-48-4"}
{"Compound":"Gadopentetate","CAS":"80529-93-7","CAS.Checksum":true,"DTXSID":"DTXSID701001301","Formula":"C14H20GdN3O10","All.Compound.Names":"Gadopentetate|Gadopentetic acid|Dtxsid701001301|80529-93-7","logHenry":-10.58,"logHenry.Reference":"OPERA29","logP":-3.47,"logP.Reference":"OPERA29","logWSol":-1.91,"logWSol.Reference":"OPERA29","MP":172,"MP.Reference":"OPERA29","MW":547.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"80529-93-7"}
{"Compound":"Gadoversetamide","CAS":"131069-91-5","CAS.Checksum":true,"DTXSID":"DTXSID10156865","Formula":"C20H34GdN5O10","All.Compound.Names":"Gadoversetamide","MW":661.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.97,4.6","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"2.32,2.75;3.69","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"131069-91-5"}
{"Compound":"Gadoxetate","CAS":"770677-60-6","CAS.Checksum":true,"DTXSID":"DTXSID301027880","Formula":"C23H28GdN3O11","All.Compound.Names":"Gadoxetate|Gadolinate(2-), [n-[(2s)-2-[bis[(carboxy-?o)methyl]amino-?n]-3-(4-ethoxyphenyl)propyl]-n-[2-[bis[(carboxy-?o)methyl]amino-?n]ethyl]glycinato(5-)-?n,?o]-, (sa-8-11252634)-|770677-60-6","logHenry":-10.31,"logHenry.Reference":"OPERA29","logP":0.42,"logP.Reference":"OPERA29","logWSol":-0.92,"logWSol.Reference":"OPERA29","MP":144,"MP.Reference":"OPERA29","MW":679.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.9","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"770677-60-6"}
{"Compound":"Galantamine","CAS":"357-70-0","CAS.Checksum":true,"DTXSID":"DTXSID2045606","Formula":"C17H21NO3","All.Compound.Names":"Galantamine|Galanthamine|357-70-0|Dtxsid2045606","logHenry":-8.69,"logHenry.Reference":"OPERA29","logP":1.25,"logP.Reference":"OPERA29","logWSol":-2.22,"logWSol.Reference":"OPERA29","MP":152,"MP.Reference":"OPERA29","MW":287.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.55","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.81","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.83","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.2,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Clint":"0","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.76","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"357-70-0"}
{"Compound":"Gallopamil","CAS":"16662-47-8","CAS.Checksum":true,"DTXSID":"DTXSID5045172","Formula":"C28H40N2O5","All.Compound.Names":"Gallopamil|Dtxsid5045172|16662-47-8","logHenry":-6.167,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.711,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.97,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.684,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.4,"MP.Reference":"EPA-CCD-OPERA","MW":484.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.07","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"16662-47-8"}
{"Compound":"Ganciclovir","CAS":"82410-32-0","CAS.Checksum":true,"DTXSID":"DTXSID8041032","Formula":"C9H13N5O4","All.Compound.Names":"Ganciclovir|82410-32-0|Dtxsid8041032","logHenry":-9.937,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.658,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.05,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.769,"logWSol.Reference":"EPA-CCD-OPERA","MP":223.2,"MP.Reference":"EPA-CCD-OPERA","MW":255.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.38","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":1,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.09,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.09,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.99","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.08,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.1,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"82410-32-0"}
{"Compound":"Ganirelix","CAS":"124904-93-4","CAS.Checksum":true,"DTXSID":"DTXSID401027283","Formula":"C80H113ClN18O13","All.Compound.Names":"Ganirelix","MW":1570,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.18","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"124904-93-4"}
{"Compound":"Garenoxacin","CAS":"194804-75-6","CAS.Checksum":true,"DTXSID":"DTXSID30173135","Formula":"C23H20F2N2O4","All.Compound.Names":"Garenoxacin|Dtxsid30173135|194804-75-6","logHenry":-8.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.088,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.499,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.658,"logWSol.Reference":"EPA-CCD-OPERA","MP":175,"MP.Reference":"EPA-CCD-OPERA","MW":426.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.18","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.25","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"194804-75-6"}
{"Compound":"Gatifloxacin","CAS":"112811-59-3","CAS.Checksum":true,"DTXSID":"DTXSID5045704","Formula":"C19H22FN3O4","All.Compound.Names":"Gatifloxacin|112811-59-3|Dtxsid5045704","logHenry":-10.47,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8968,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.606,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.087,"logWSol.Reference":"EPA-CCD-OPERA","MP":225,"MP.Reference":"EPA-CCD-OPERA","MW":375.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.73","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"1.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.9847,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.96,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.96,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.8","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.6048,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"112811-59-3"}
{"Compound":"Gavestinel","CAS":"153436-22-7","CAS.Checksum":true,"DTXSID":"DTXSID90870012","Formula":"C18H12Cl2N2O3","All.Compound.Names":"Gavestinel|Dtxsid90870012|153436-22-7","logHenry":-9.03,"logHenry.Reference":"OPERA29","logP":1.91,"logP.Reference":"OPERA29","logWSol":-4.05,"logWSol.Reference":"OPERA29","MP":181,"MP.Reference":"OPERA29","MW":375.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.002","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"153436-22-7"}
{"Compound":"Gefitinib","CAS":"184475-35-2","CAS.Checksum":true,"DTXSID":"DTXSID8041034","Formula":"C22H24ClFN4O3","All.Compound.Names":"Gefitinib|184475-35-2|Dtxsid8041034","logHenry":-9.745,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.859,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.352,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.382,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.3,"MP.Reference":"EPA-CCD-OPERA","MW":446.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.6,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.089","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"184475-35-2"}
{"Compound":"Gemcitabine","CAS":"95058-81-4","CAS.Checksum":true,"DTXSID":"DTXSID3040487","Formula":"C9H11F2N3O4","All.Compound.Names":"Gemcitabine|Dtxsid3040487|95058-81-4","logHenry":-9.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.528,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.855,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.427,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.5,"MP.Reference":"EPA-CCD-OPERA","MW":263.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"95058-81-4"}
{"Compound":"Gemifloxacin","CAS":"175463-14-6","CAS.Checksum":true,"DTXSID":"DTXSID3048495","Formula":"C18H20FN5O4","All.Compound.Names":"Gemifloxacin|Dtxsid3048495|175463-14-6","logHenry":-9.383,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.315,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.227,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.223,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.9,"MP.Reference":"EPA-CCD-OPERA","MW":389.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.3","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"175463-14-6"}
{"Compound":"Gentamicin","CAS":"1403-66-3","CAS.Checksum":true,"DTXSID":"DTXSID5034642","All.Compound.Names":"Gentamicin|1403-66-3","pKa_Accept":"10.18,9.67,9.23","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"12.55,13.16,13.84","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1403-66-3"}
{"Compound":"Gestodene","CAS":"60282-87-3","CAS.Checksum":true,"DTXSID":"DTXSID6046478","Formula":"C21H26O2","All.Compound.Names":"Gestodene|60282-87-3|Dtxsid6046478","logHenry":-8.265,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.961,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.259,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.932,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.6,"MP.Reference":"EPA-CCD-OPERA","MW":310.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.93,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.023","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"60282-87-3"}
{"Compound":"Ginkgolide b","CAS":"15291-77-7","CAS.Checksum":true,"DTXSID":"DTXSID70873223","Formula":"C20H24O10","All.Compound.Names":"Ginkgolide b|15291-77-7|Dtxsid70873223","logHenry":-12.11,"logHenry.Reference":"OPERA29","logP":0.16,"logP.Reference":"OPERA29","logWSol":-2.48,"logWSol.Reference":"OPERA29","MP":146,"MP.Reference":"OPERA29","MW":424.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.03,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.95,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.88,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.8","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"15291-77-7"}
{"Compound":"Gliclazide","CAS":"21187-98-4","CAS.Checksum":true,"DTXSID":"DTXSID9023095","Formula":"C15H21N3O3S","All.Compound.Names":"Gliclazide|21187-98-4|Dtxsid9023095","logHenry":-9.414,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.154,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.072,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.287,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.9,"MP.Reference":"EPA-CCD-OPERA","MW":323.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.38","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"4.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.97,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.03","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"21187-98-4"}
{"Compound":"Glimepiride","CAS":"93479-97-1","CAS.Checksum":true,"DTXSID":"DTXSID5040675","Formula":"C24H34N4O5S","All.Compound.Names":"Glimepiride|93479-97-1|Dtxsid5040675","logHenry":-8.13,"logHenry.Reference":"OPERA29","logP":3.41,"logP.Reference":"OPERA29","logWSol":-5.1,"logWSol.Reference":"OPERA29","MP":173,"MP.Reference":"OPERA29","MW":490.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.816","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.005","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"93479-97-1"}
{"Compound":"Glipizide","CAS":"29094-61-9","CAS.Checksum":true,"DTXSID":"DTXSID0040676","Formula":"C21H27N5O4S","All.Compound.Names":"Glipizide|29094-61-9|Dtxsid0040676","logHenry":-10.07,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.91,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.535,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.488,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.7,"MP.Reference":"EPA-CCD-OPERA","MW":445.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.06","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"5.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.597","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.97,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.95,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Chemical.Class":"","_row":"29094-61-9"}
{"Compound":"Glufosfamide","CAS":"132682-98-5","CAS.Checksum":true,"DTXSID":"DTXSID001031222","Formula":"C10H21Cl2N2O7P","All.Compound.Names":"Glufosfamide|Glucosylifosfamide mustard|132682-98-5","logHenry":-9.98,"logHenry.Reference":"OPERA29","logP":-1.01,"logP.Reference":"OPERA29","logWSol":-1.2,"logWSol.Reference":"OPERA29","MP":181,"MP.Reference":"OPERA29","MW":383.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.71","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"132682-98-5"}
{"Compound":"Glyburide","CAS":"10238-21-8","CAS.Checksum":true,"DTXSID":"DTXSID0037237","Formula":"C23H28ClN3O5S","All.Compound.Names":"Glyburide|Glybenclamide|10238-21-8|Dtxsid0037237","logHenry":-9.718,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.786,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.685,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.09,"logWSol.Reference":"EPA-CCD-OPERA","MP":169,"MP.Reference":"EPA-CCD-OPERA","MW":494,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.147,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6.62","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.99,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.96,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.83,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.021","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.56,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"10238-21-8"}
{"Compound":"Grepafloxacin","CAS":"119914-60-2","CAS.Checksum":true,"DTXSID":"DTXSID2048321","Formula":"C19H22FN3O3","All.Compound.Names":"Grepafloxacin|119914-60-2|Dtxsid2048321","logHenry":-11.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.913,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.578,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.382,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.6,"MP.Reference":"EPA-CCD-OPERA","MW":359.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.37","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.7,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.82","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Funbound.plasma":"0.59","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"119914-60-2"}
{"Compound":"Guanfacine","CAS":"29110-47-2","CAS.Checksum":true,"DTXSID":"DTXSID9046944","Formula":"C9H9Cl2N3O","All.Compound.Names":"Guanfacine|29110-47-2|Dtxsid9046944","logHenry":-9.209,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.922,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.607,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":226,"MP.Reference":"EPA-CCD-OPERA","MW":246.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.92","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.94","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Monkey","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.93,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.87,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.81,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.28","Human.Funbound.plasma.Reference":"Lombardo 2018","Monkey.Foral":0.35,"Monkey.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"29110-47-2"}
{"Compound":"Hydralazine","CAS":"86-54-4","CAS.Checksum":true,"DTXSID":"DTXSID4023129","Formula":"C8H8N4","All.Compound.Names":"Hydralazine|86-54-4|Dtxsid4023129","logHenry":-7.361,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.001,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.94,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.945,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.5,"MP.Reference":"EPA-CCD-OPERA","MW":160.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.3769,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"14.1,6.27,31.8","Human.Caco2.Pab.Reference":"Lanevskij","Human.Foral":0.23,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.12","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"86-54-4"}
{"Compound":"Hydrocortisone","CAS":"50-23-7","CAS.Checksum":true,"DTXSID":"DTXSID7020714","Formula":"C21H30O5","All.Compound.Names":"Hydrocortisone|Dtxsid7020714|50-23-7","logHenry":-11.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.611,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.688,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.011,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.6,"MP.Reference":"EPA-CCD-OPERA","MW":362.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"16.8,7.47,37.9","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"8.567","Human.Clint.Reference":"Wood 2017","Human.Funbound.plasma":"0.2","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"50-23-7"}
{"Compound":"Hydromorphone","CAS":"466-99-9","CAS.Checksum":true,"DTXSID":"DTXSID8023133","Formula":"C17H19NO3","All.Compound.Names":"Hydromorphone|466-99-9|Dtxsid8023133","logHenry":-8.299,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.572,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.869,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.488,"logWSol.Reference":"EPA-CCD-OPERA","MP":266.2,"MP.Reference":"EPA-CCD-OPERA","MW":285.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.38","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.11","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.86","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.07,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"466-99-9"}
{"Compound":"Hydroxychloroquine","CAS":"118-42-3","CAS.Checksum":true,"DTXSID":"DTXSID8023135","Formula":"C18H26ClN3O","All.Compound.Names":"Hydroxychloroquine|118-42-3|Dtxsid8023135","logHenry":-8.265,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.597,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.805,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.693,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.06,"MP.Reference":"EPA-CCD-OPERA","MW":335.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.56","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.74,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.57","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"118-42-3"}
{"Compound":"Hydroxydihydroquinidine, 3(s)-","CAS":"85405-59-0","CAS.Checksum":true,"DTXSID":"DTXSID90873225","Formula":"C20H26N2O3","All.Compound.Names":"Hydroxydihydroquinidine, 3(s)-|3-hydroxyhydroquinidine|Dtxsid90873225|85405-59-0","logHenry":-9.819,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.134,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.275,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.862,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.9,"MP.Reference":"EPA-CCD-OPERA","MW":342.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.47","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"85405-59-0"}
{"Compound":"Hydroxyimipramine, 2-","CAS":"303-70-8","CAS.Checksum":true,"DTXSID":"DTXSID60184390","Formula":"C19H24N2O","All.Compound.Names":"Hydroxyimipramine, 2-|2-hydroxyimipramine|Dtxsid60184390|303-70-8","logHenry":-9.145,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.562,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.268,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.716,"logWSol.Reference":"EPA-CCD-OPERA","MP":139,"MP.Reference":"EPA-CCD-OPERA","MW":296.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.36","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"303-70-8"}
{"Compound":"Hydroxymidazolam","CAS":"59468-90-5","CAS.Checksum":true,"DTXSID":"DTXSID50208175","Formula":"C18H13ClFN3O","All.Compound.Names":"Hydroxymidazolam|1-hydroxymidazolam|1-hydroxymethylmidazolam|Dtxsid50208175|59468-90-5","logHenry":-9.217,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.854,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.496,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.002,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.1,"MP.Reference":"EPA-CCD-OPERA","MW":341.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"20","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"59468-90-5"}
{"Compound":"Hydroxysafflor yellow a","CAS":"78281-02-4","CAS.Checksum":true,"DTXSID":"DTXSID801031226","Formula":"C27H32O16","All.Compound.Names":"Hydroxysafflor yellow a|78281-02-4","logHenry":-11.56,"logHenry.Reference":"OPERA29","logP":-0.67,"logP.Reference":"OPERA29","logWSol":-1.14,"logWSol.Reference":"OPERA29","MP":177,"MP.Reference":"OPERA29","MW":612.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.22","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"78281-02-4"}
{"Compound":"Hydroxystaurosporine, 7-","CAS":"112953-11-4","CAS.Checksum":true,"DTXSID":"DTXSID20150238","Formula":"C28H26N4O4","All.Compound.Names":"Hydroxystaurosporine, 7-|7-hydroxystaurosporine|Dtxsid20150238|112953-11-4","logHenry":-10.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.95,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.563,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.48,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.4,"MP.Reference":"EPA-CCD-OPERA","MW":482.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.55","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"6.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.0022","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"112953-11-4"}
{"Compound":"Hydroxyurea","CAS":"127-07-1","CAS.Checksum":true,"DTXSID":"DTXSID6025438","Formula":"CH4N2O2","All.Compound.Names":"Hydroxyurea|127-07-1|Dtxsid6025438","logHenry":-7.964,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.799,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.213,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.119,"logWSol.Reference":"EPA-CCD-OPERA","MP":141,"MP.Reference":"EPA-CCD-OPERA","MW":76.06,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.42","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.14,13.96","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.04,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.96,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.79,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1.05e-05,2.58e-13,0.0882","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"127-07-1"}
{"Compound":"Ibandronic acid (ibandronate)","CAS":"114084-78-5","CAS.Checksum":true,"DTXSID":"DTXSID5048340","Formula":"C9H23NO7P2","All.Compound.Names":"Ibandronic acid (ibandronate)|Ibandronic acid|114084-78-5|Dtxsid5048340","logHenry":-8.491,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.00232,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.483,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.04074,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.9,"MP.Reference":"EPA-CCD-OPERA","MW":319.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.93","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"3.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.15","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"114084-78-5"}
{"Compound":"Ibrutinib","CAS":"936563-96-1","CAS.Checksum":true,"DTXSID":"DTXSID60893450","Formula":"C25H24N6O2","All.Compound.Names":"Ibrutinib|Dtxsid60893450|936563-96-1","logHenry":-7.94,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.046,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.437,"logWSol.Reference":"EPA-CCD-OPERA","MP":262.3,"MP.Reference":"EPA-CCD-OPERA","MW":440.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.03","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"936563-96-1"}
{"Compound":"Ibutilide","CAS":"122647-31-8","CAS.Checksum":true,"DTXSID":"DTXSID20861271","Formula":"C20H36N2O3S","All.Compound.Names":"Ibutilide|N-(4-{4-[ethyl(heptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide|122647-31-8|Dtxsid20861271","logHenry":-8.839,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.14,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.312,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.8,"MP.Reference":"EPA-CCD-OPERA","MW":384.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.4","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"6.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.08,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.6","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"122647-31-8"}
{"Compound":"Idarubicin","CAS":"58957-92-9","CAS.Checksum":true,"DTXSID":"DTXSID7023142","Formula":"C26H27NO9","All.Compound.Names":"Idarubicin|58957-92-9|Dtxsid7023142","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.004,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.505,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.1,"MP.Reference":"EPA-CCD-OPERA","MW":497.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.94","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"7.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.28,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.076","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"58957-92-9"}
{"Compound":"Idrapril","CAS":"127420-24-0","CAS.Checksum":true,"DTXSID":"DTXSID60155565","Formula":"C11H18N2O5","All.Compound.Names":"Idrapril|Dtxsid60155565|127420-24-0","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7362,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.478,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.234,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.8,"MP.Reference":"EPA-CCD-OPERA","MW":258.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.48","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"127420-24-0"}
{"Compound":"Ifosfamide","CAS":"3778-73-2","CAS.Checksum":true,"DTXSID":"DTXSID7020760","Formula":"C7H15Cl2N2O2P","All.Compound.Names":"Ifosfamide|3778-73-2|Dtxsid7020760","logHenry":-5.981,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8572,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.665,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.008,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.1,"MP.Reference":"EPA-CCD-OPERA","MW":261.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.12","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"8.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.94,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.92,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.4,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"3778-73-2"}
{"Compound":"Iloprost","CAS":"78919-13-8","CAS.Checksum":true,"DTXSID":"DTXSID2041046","Formula":"C22H32O4","All.Compound.Names":"Iloprost|78919-13-8|Dtxsid2041046","logHenry":-10.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.087,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.197,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.125,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.2,"MP.Reference":"EPA-CCD-OPERA","MW":360.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.16,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.4","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"78919-13-8"}
{"Compound":"Imatinib","CAS":"152459-95-5","CAS.Checksum":true,"DTXSID":"DTXSID3037125","Formula":"C29H31N7O","All.Compound.Names":"Imatinib|152459-95-5|Dtxsid3037125","logHenry":-9.127,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.03,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.71,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.318,"logWSol.Reference":"EPA-CCD-OPERA","MP":228,"MP.Reference":"EPA-CCD-OPERA","MW":493.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.35","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.17","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Williamson 2020","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.64,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"152459-95-5"}
{"Compound":"Imidafenacin","CAS":"170105-16-5","CAS.Checksum":true,"DTXSID":"DTXSID00870104","Formula":"C20H21N3O","All.Compound.Names":"Imidafenacin|Dtxsid00870104|170105-16-5","logHenry":-9.62,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.86,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.532,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.054,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.8,"MP.Reference":"EPA-CCD-OPERA","MW":319.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.12","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"170105-16-5"}
{"Compound":"Imipenem","CAS":"64221-86-9","CAS.Checksum":true,"DTXSID":"DTXSID2023143","Formula":"C12H17N3O4S","All.Compound.Names":"Imipenem|64221-86-9|Dtxsid2023143","logHenry":-10.06,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5155,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.877,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.401,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.8,"MP.Reference":"EPA-CCD-OPERA","MW":299.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.80","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"0.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.53,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.93,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.86","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"64221-86-9"}
{"Compound":"Incadronate (acid)","CAS":"124351-85-5","CAS.Checksum":true,"DTXSID":"DTXSID90154283","Formula":"C8H19NO6P2","All.Compound.Names":"Incadronate (acid)|Incadronic acid|Dtxsid90154283|124351-85-5","logHenry":-8.631,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3697,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.847,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6895,"logWSol.Reference":"EPA-CCD-OPERA","MP":229.3,"MP.Reference":"EPA-CCD-OPERA","MW":287.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.9","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"124351-85-5"}
{"Compound":"Indacaterol","CAS":"312753-06-3","CAS.Checksum":true,"DTXSID":"DTXSID90185198","Formula":"C24H28N2O3","All.Compound.Names":"Indacaterol|Dtxsid90185198|312753-06-3","logHenry":-11.18,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.643,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.808,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.993,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.9,"MP.Reference":"EPA-CCD-OPERA","MW":392.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.05","Human.Clint.Reference":"Dawson 2021","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"312753-06-3"}
{"Compound":"Indisulam","CAS":"165668-41-7","CAS.Checksum":true,"DTXSID":"DTXSID50168008","Formula":"C14H12ClN3O4S2","All.Compound.Names":"Indisulam|Dtxsid50168008|165668-41-7","logHenry":-8.496,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.081,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.257,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.064,"logWSol.Reference":"EPA-CCD-OPERA","MP":221.8,"MP.Reference":"EPA-CCD-OPERA","MW":385.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"12","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.001","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"165668-41-7"}
{"Compound":"Indocyanine green","CAS":"3599-32-4","CAS.Checksum":true,"DTXSID":"DTXSID2023145","Formula":"C43H47N2NaO6S2","All.Compound.Names":"Indocyanine green|Dtxsid2023145|3599-32-4","logHenry":-8.008,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2875,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.08,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.397,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.9,"MP.Reference":"EPA-CCD-OPERA","MW":775,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.66","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"0.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"3599-32-4"}
{"Compound":"Indomethacin","CAS":"53-86-1","CAS.Checksum":true,"DTXSID":"DTXSID9020740","Formula":"C19H16ClNO4","All.Compound.Names":"Indomethacin|1-(p-chlorobenzoyl)-5-methoxy-2-methyl-indole-3-acetic acid|53-86-1|Dtxsid9020740","logHenry":-9.067,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.267,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.1,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.275,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.3,"MP.Reference":"EPA-CCD-OPERA","MW":357.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"19.5,10.9,35.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"9.35,6.1,11.4,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.05,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.95,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.0103,0.00572,0.0246","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"1.062","Rat.Clint.Reference":"Wood 2017","Rat.Foral":0.637,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.003","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"53-86-1"}
{"Compound":"Indoprofen","CAS":"31842-01-0","CAS.Checksum":true,"DTXSID":"DTXSID5045831","Formula":"C17H15NO3","All.Compound.Names":"Indoprofen|Dtxsid5045831|31842-01-0","logHenry":-8.64,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.769,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.905,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.802,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.3,"MP.Reference":"EPA-CCD-OPERA","MW":281.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"31842-01-0"}
{"Compound":"Indoramin","CAS":"26844-12-2","CAS.Checksum":true,"DTXSID":"DTXSID7048370","Formula":"C22H25N3O","All.Compound.Names":"Indoramin|26844-12-2|Dtxsid7048370","logHenry":-8.344,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.749,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.749,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.867,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.7,"MP.Reference":"EPA-CCD-OPERA","MW":347.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.18,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.15","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"26844-12-2"}
{"Compound":"Inogatran","CAS":"155415-08-0","CAS.Checksum":true,"DTXSID":"DTXSID50165895","Formula":"C21H38N6O4","All.Compound.Names":"Inogatran|Dtxsid50165895|155415-08-0","logHenry":-10.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1005,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.598,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.225,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.5,"MP.Reference":"EPA-CCD-OPERA","MW":438.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.339,0.0667,1.72","Human.Caco2.Pab.Reference":"Lanevskij","Human.Funbound.plasma":"0.76","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"155415-08-0"}
{"Compound":"Iodixanol","CAS":"92339-11-2","CAS.Checksum":true,"DTXSID":"DTXSID2045523","Formula":"C35H44I6N6O15","All.Compound.Names":"Iodixanol|Dtxsid2045523|92339-11-2","logHenry":-10.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.829,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.46,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.091,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.7,"MP.Reference":"EPA-CCD-OPERA","MW":1550,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"92339-11-2"}
{"Compound":"Iohexol","CAS":"66108-95-0","CAS.Checksum":true,"DTXSID":"DTXSID6023157","Formula":"C19H26I3N3O9","All.Compound.Names":"Iohexol|Dtxsid6023157|66108-95-0","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.049,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.63,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.673,"logWSol.Reference":"EPA-CCD-OPERA","MP":177,"MP.Reference":"EPA-CCD-OPERA","MW":821.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"66108-95-0"}
{"Compound":"Iomeprol","CAS":"78649-41-9","CAS.Checksum":true,"DTXSID":"DTXSID1049061","Formula":"C17H22I3N3O8","All.Compound.Names":"Iomeprol|Dtxsid1049061|78649-41-9","logHenry":-10.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.79,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.36,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.306,"logWSol.Reference":"EPA-CCD-OPERA","MP":188,"MP.Reference":"EPA-CCD-OPERA","MW":777.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"78649-41-9"}
{"Compound":"Iopamidol","CAS":"60166-93-0","CAS.Checksum":true,"DTXSID":"DTXSID1023158","Formula":"C17H22I3N3O8","All.Compound.Names":"Iopamidol|Dtxsid1023158|60166-93-0","logHenry":-10.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.42,"logP.Reference":"EPA-CCD-OPERA","logPwa":12,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7448,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.7,"MP.Reference":"EPA-CCD-OPERA","MW":777.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"60166-93-0"}
{"Compound":"Iopentol","CAS":"89797-00-2","CAS.Checksum":true,"DTXSID":"DTXSID40869032","Formula":"C20H28I3N3O9","All.Compound.Names":"Iopentol|Dtxsid40869032|89797-00-2","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.42,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.99,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.451,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.4,"MP.Reference":"EPA-CCD-OPERA","MW":835.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"89797-00-2"}
{"Compound":"Iopromide","CAS":"73334-07-3","CAS.Checksum":true,"DTXSID":"DTXSID0023163","Formula":"C18H24I3N3O8","All.Compound.Names":"Iopromide|Dtxsid0023163|73334-07-3","logHenry":-10.85,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.051,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.6,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.885,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.2,"MP.Reference":"EPA-CCD-OPERA","MW":791.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.68","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.99","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"73334-07-3"}
{"Compound":"Iothalamic acid (iothalamate)","CAS":"2276-90-6","CAS.Checksum":true,"DTXSID":"DTXSID5023164","Formula":"C11H9I3N2O4","All.Compound.Names":"Iothalamic acid (iothalamate)|Iothalamic acid|Dtxsid5023164|2276-90-6","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.167,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.791,"logWSol.Reference":"EPA-CCD-OPERA","MP":250,"MP.Reference":"EPA-CCD-OPERA","MW":613.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.98","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"2276-90-6"}
{"Compound":"Iotrolan","CAS":"79770-24-4","CAS.Checksum":true,"DTXSID":"DTXSID0023165","Formula":"C37H48I6N6O18","All.Compound.Names":"Iotrolan|Dtxsid0023165|79770-24-4","logHenry":-10.64,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.735,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.37,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.611,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.1,"MP.Reference":"EPA-CCD-OPERA","MW":1626,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"79770-24-4"}
{"Compound":"Ipratropium","CAS":"60205-81-4","CAS.Checksum":true,"DTXSID":"DTXSID9048437","Formula":"C20H30NO3","All.Compound.Names":"Ipratropium|60205-81-4|Dtxsid9048437","logHenry":-8.5,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.086,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.327,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.545,"logWSol.Reference":"EPA-CCD-OPERA","MP":119.2,"MP.Reference":"EPA-CCD-OPERA","MW":332.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.03,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.95","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"60205-81-4"}
{"Compound":"Irbesartan","CAS":"138402-11-6","CAS.Checksum":true,"DTXSID":"DTXSID0023169","Formula":"C25H28N6O","All.Compound.Names":"Irbesartan|138402-11-6|Dtxsid0023169","logHenry":-8.545,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.89,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.35,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.135,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.3,"MP.Reference":"EPA-CCD-OPERA","MW":428.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.77","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"13.63","Human.Clint.Reference":"Wood 2017","Human.Foral":0.84,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.64,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"138402-11-6"}
{"Compound":"Irinotecan","CAS":"97682-44-5","CAS.Checksum":true,"DTXSID":"DTXSID1041051","Formula":"C33H38N4O6","All.Compound.Names":"Irinotecan|97682-44-5|Dtxsid1041051","logHenry":-8.499,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.99,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.389,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.077,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.9,"MP.Reference":"EPA-CCD-OPERA","MW":586.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.47,3.80","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"6.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.08,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.51","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"97682-44-5"}
{"Compound":"Isavuconazole","CAS":"241479-67-4","CAS.Checksum":true,"DTXSID":"DTXSID2058251","Formula":"C22H17F2N5OS","All.Compound.Names":"Isavuconazole|Dtxsid2058251|241479-67-4","logHenry":-6.536,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.076,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.204,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.205,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.6,"MP.Reference":"EPA-CCD-OPERA","MW":437.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"241479-67-4"}
{"Compound":"Isepamicin","CAS":"58152-03-7","CAS.Checksum":true,"DTXSID":"DTXSID1048380","Formula":"C22H43N5O12","All.Compound.Names":"Isepamicin|Dtxsid1048380|58152-03-7","logHenry":-9.89,"logHenry.Reference":"OPERA29","logP":-4.19,"logP.Reference":"OPERA29","logWSol":-0.8,"logWSol.Reference":"OPERA29","MP":184,"MP.Reference":"OPERA29","MW":569.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.23","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.07,12.62,13.11","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.95","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"58152-03-7"}
{"Compound":"Isomazole","CAS":"86315-52-8","CAS.Checksum":true,"DTXSID":"DTXSID3020754","Formula":"C14H13N3O2S","All.Compound.Names":"Isomazole|Dtxsid3020754|86315-52-8","logHenry":-6.4,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.252,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.149,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.006,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.7,"MP.Reference":"EPA-CCD-OPERA","MW":287.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.48","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"86315-52-8"}
{"Compound":"Isoniazide","CAS":"54-85-3","CAS.Checksum":true,"DTXSID":"DTXSID8020755","Formula":"C6H7N3O","All.Compound.Names":"Isoniazide|Isoniazid|54-85-3|Dtxsid8020755","logHenry":-8.32,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6985,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.293,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.00248,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.3,"MP.Reference":"EPA-CCD-OPERA","MW":137.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.67","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.11","Human.Clint.Reference":"Tonnelier 2012","Human.Foral":0.8,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"54-85-3"}
{"Compound":"Isoproterenol","CAS":"7683-59-2","CAS.Checksum":true,"DTXSID":"DTXSID4023175","Formula":"C11H17NO3","All.Compound.Names":"Isoproterenol|7683-59-2|Dtxsid4023175","logHenry":-10.46,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6521,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.753,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.369,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.5,"MP.Reference":"EPA-CCD-OPERA","MW":211.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.97","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.81,12.65;14.38","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.71","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"7683-59-2"}
{"Compound":"Isosorbide dinitrate","CAS":"87-33-2","CAS.Checksum":true,"DTXSID":"DTXSID0045832","Formula":"C6H8N2O8","All.Compound.Names":"Isosorbide dinitrate|Isosorbide 2,5-dinitrate|87-33-2|Dtxsid0045832","logHenry":-5.762,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.308,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.465,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.63,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.02,"MP.Reference":"EPA-CCD-OPERA","MW":236.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.72","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.4,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"87-33-2"}
{"Compound":"Isosorbide-5-mononitrate","CAS":"16051-77-7","CAS.Checksum":true,"DTXSID":"DTXSID9023176","Formula":"C6H9NO6","All.Compound.Names":"Isosorbide-5-mononitrate|Isosorbide mononitrate|Isosorbide 5-mononitrate|16051-77-7|Dtxsid9023176","logHenry":-6.696,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1499,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.525,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.601,"logWSol.Reference":"EPA-CCD-OPERA","MP":111.8,"MP.Reference":"EPA-CCD-OPERA","MW":191.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.715,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.92,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.93,"Human.Foral.Reference":"Varma 2010","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"16051-77-7"}
{"Compound":"Isoxicam","CAS":"34552-84-6","CAS.Checksum":true,"DTXSID":"DTXSID0045462","Formula":"C14H13N3O5S","All.Compound.Names":"Isoxicam|34552-84-6|Dtxsid0045462","logHenry":-9.182,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.829,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.706,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.62,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.6,"MP.Reference":"EPA-CCD-OPERA","MW":335.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.37","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"1.92,11.37","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Dog","Dog.Foral":0.99,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.97,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.97,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.035","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"34552-84-6"}
{"Compound":"Itraconazole","CAS":"84625-61-6","CAS.Checksum":true,"DTXSID":"DTXSID3023180","Formula":"C35H38Cl2N8O4","All.Compound.Names":"Itraconazole|84625-61-6|Dtxsid3023180","logHenry":-7.286,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.66,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.013,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-9.148,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.5,"MP.Reference":"EPA-CCD-OPERA","MW":705.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.85,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.83,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.78,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.55,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.002","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.2706,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"84625-61-6"}
{"Compound":"Ivabradine","CAS":"155974-00-8","CAS.Checksum":true,"DTXSID":"DTXSID2048240","Formula":"C27H36N2O5","All.Compound.Names":"Ivabradine|Dtxsid2048240|155974-00-8","logHenry":-6.497,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.871,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.807,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.477,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.2,"MP.Reference":"EPA-CCD-OPERA","MW":468.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.28","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"155974-00-8"}
{"Compound":"Ixabepilone","CAS":"219989-84-1","CAS.Checksum":true,"DTXSID":"DTXSID70870252","Formula":"C27H42N2O5S","All.Compound.Names":"Ixabepilone|Dtxsid70870252|219989-84-1","logHenry":-11.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.952,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.5,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.457,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.3,"MP.Reference":"EPA-CCD-OPERA","MW":506.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.73","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"6.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.2","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"219989-84-1"}
{"Compound":"Ixazomib","CAS":"1072833-77-2","CAS.Checksum":true,"DTXSID":"DTXSID701025662","Formula":"C14H19BCl2N2O4","All.Compound.Names":"Ixazomib","logHenry":-8.98,"logHenry.Reference":"OPERA29","logP":2.04,"logP.Reference":"OPERA29","logWSol":-2.46,"logWSol.Reference":"OPERA29","MP":243,"MP.Reference":"OPERA29","MW":361,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1072833-77-2"}
{"Compound":"Kanamycin A","CAS":"59-01-8","CAS.Checksum":true,"DTXSID":"DTXSID3023184","Formula":"C18H36N4O11","All.Compound.Names":"Kanamycin|Kanamycin a|Dtxsid3023184|59-01-8","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.889,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.49,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3153,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.5,"MP.Reference":"EPA-CCD-OPERA","MW":484.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.61","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.11,12.75,13.36","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.99","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"59-01-8"}
{"Compound":"Ketanserin","CAS":"74050-98-9","CAS.Checksum":true,"DTXSID":"DTXSID3023188","Formula":"C22H22FN3O3","All.Compound.Names":"Ketanserin|74050-98-9|Dtxsid3023188","logHenry":-7.616,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.282,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.937,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.6,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.9,"MP.Reference":"EPA-CCD-OPERA","MW":395.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.83","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":1,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"52.96","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.7,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.71,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.055","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.7,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Clint":"0","Rat.Clint.Reference":"Wood 2017","Rat.Foral":1,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.01","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.65,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"74050-98-9"}
{"Compound":"Ketoprofen","CAS":"22071-15-4","CAS.Checksum":true,"DTXSID":"DTXSID6020771","Formula":"C16H14O3","All.Compound.Names":"Ketoprofen|22071-15-4|Dtxsid6020771","logHenry":-8.872,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.121,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.452,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.32,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.46,"MP.Reference":"EPA-CCD-OPERA","MW":254.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"25.7,11.4,57.9","Human.Caco2.Pab.Reference":"ChEMBL,Lanevskij","Human.Clint":"4.673","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.92,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.97,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.95,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.008","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"22071-15-4"}
{"Compound":"Ketorolac","CAS":"74103-06-3","CAS.Checksum":true,"DTXSID":"DTXSID8023189","Formula":"C15H13NO3","All.Compound.Names":"Ketorolac|74103-06-3|Dtxsid8023189","logHenry":-9.131,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.884,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.837,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.455,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.5,"MP.Reference":"EPA-CCD-OPERA","MW":255.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Mouse|Rat|Dog|Monkey","Dog.Foral":1,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"8.32,3.69,18.7","Human.Caco2.Pab.Reference":"Lanevskij","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.0068","Human.Funbound.plasma.Reference":"Lombardo 2018","Monkey.Foral":1,"Monkey.Foral.Reference":"Musther 2014","Mouse.Foral":0.904,"Mouse.Foral.Reference":"Musther 2014","Rat.Foral":0.9907,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"74103-06-3"}
{"Compound":"Krn8602","CAS":"105026-50-4","CAS.Checksum":true,"DTXSID":"DTXSID40909301","Formula":"C30H35NO11","All.Compound.Names":"Krn8602|3-ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-morpholin-4-ylhexopyranoside|Dtxsid40909301|105026-50-4","logHenry":-10.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.921,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.625,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.378,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.3,"MP.Reference":"EPA-CCD-OPERA","MW":585.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.09","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"105026-50-4"}
{"Compound":"L-692429","CAS":"145455-23-8","CAS.Checksum":true,"DTXSID":"DTXSID20163045","Formula":"C29H31N7O2","All.Compound.Names":"L-692429|L 692429|Dtxsid20163045|145455-23-8","logHenry":-8.907,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8783,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.647,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.503,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.4,"MP.Reference":"EPA-CCD-OPERA","MW":509.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.06","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"145455-23-8"}
{"Compound":"Labetalol","CAS":"36894-69-6","CAS.Checksum":true,"DTXSID":"DTXSID2023191","Formula":"C19H24N2O3","All.Compound.Names":"Labetalol|36894-69-6|Dtxsid2023191","logHenry":-11.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.087,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.329,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.438,"logWSol.Reference":"EPA-CCD-OPERA","MP":188,"MP.Reference":"EPA-CCD-OPERA","MW":328.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.8","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"8.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"7.3,3.24,16.4","Human.Caco2.Pab.Reference":"ChEMBL","Human.Clint":"5.841","Human.Clint.Reference":"Wood 2017","Human.Foral":0.25,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.5","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"36894-69-6"}
{"Compound":"Lacosamide","CAS":"175481-36-4","CAS.Checksum":true,"DTXSID":"DTXSID1057666","Formula":"C13H18N2O3","All.Compound.Names":"Lacosamide|Dtxsid1057666|175481-36-4","logHenry":-9.597,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4608,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.684,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.887,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.6,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.85","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"175481-36-4"}
{"Compound":"Ladirubicin","CAS":"171047-47-5","CAS.Checksum":true,"DTXSID":"DTXSID301031257","Formula":"C29H31NO11S","All.Compound.Names":"Ladirubicin|171047-47-5","logHenry":-12.84,"logHenry.Reference":"OPERA29","logP":2.39,"logP.Reference":"OPERA29","logWSol":-2.82,"logWSol.Reference":"OPERA29","MP":213,"MP.Reference":"OPERA29","MW":601.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.006","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"171047-47-5"}
{"Compound":"Lamifiban","CAS":"144412-49-7","CAS.Checksum":true,"DTXSID":"DTXSID20869939","Formula":"C24H28N4O6","All.Compound.Names":"Lamifiban|Dtxsid20869939|144412-49-7","logHenry":-9.959,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4853,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.99,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.507,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.6,"MP.Reference":"EPA-CCD-OPERA","MW":468.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.95","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"2.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.94","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"144412-49-7"}
{"Compound":"Lamivudine","CAS":"134678-17-4","CAS.Checksum":true,"DTXSID":"DTXSID7023194","Formula":"C8H11N3O3S","All.Compound.Names":"Lamivudine|134678-17-4|Dtxsid7023194","logHenry":-9.11,"logHenry.Reference":"OPERA29","logP":-0.93,"logP.Reference":"OPERA29","logWSol":-1.59,"logWSol.Reference":"OPERA29","MP":161,"MP.Reference":"OPERA29","MW":229.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.21","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"7.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.93,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.94,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.93,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.94","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.06,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"134678-17-4"}
{"Compound":"Laniquidar","CAS":"197509-46-9","CAS.Checksum":true,"DTXSID":"DTXSID10173436","Formula":"C37H36N4O3","All.Compound.Names":"Laniquidar|Dtxsid10173436|197509-46-9","logHenry":-7.411,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.319,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.354,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.72,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.1,"MP.Reference":"EPA-CCD-OPERA","MW":584.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.001","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.62,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.79,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"197509-46-9"}
{"Compound":"Lansoprazole","CAS":"103577-45-3","CAS.Checksum":true,"DTXSID":"DTXSID4023200","Formula":"C16H14F3N3O2S","All.Compound.Names":"Lansoprazole|103577-45-3|Dtxsid4023200","logHenry":-6.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.976,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.405,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.265,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.2,"MP.Reference":"EPA-CCD-OPERA","MW":369.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.07","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.35","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat|Dog","Dog.Foral":0.265,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.05,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.81,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.021","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.56,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.3045,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"103577-45-3"}
{"Compound":"Latanoprost","CAS":"130209-82-4","CAS.Checksum":true,"DTXSID":"DTXSID1041057","Formula":"C26H40O5","All.Compound.Names":"Latanoprost|Dtxsid1041057|130209-82-4","logHenry":-10.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.363,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.011,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.895,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.8,"MP.Reference":"EPA-CCD-OPERA","MW":432.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.88","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"130209-82-4"}
{"Compound":"Lefamulin","CAS":"1061337-51-6","CAS.Checksum":true,"DTXSID":"DTXSID101027896","Formula":"C28H45NO5S","All.Compound.Names":"Lefamulin|1061337-51-6","logHenry":-9.76,"logHenry.Reference":"OPERA29","logP":3.26,"logP.Reference":"OPERA29","logWSol":-4.93,"logWSol.Reference":"OPERA29","MP":203,"MP.Reference":"OPERA29","MW":507.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.17","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1061337-51-6"}
{"Compound":"Lesinurad","CAS":"878672-00-5","CAS.Checksum":true,"DTXSID":"DTXSID201026091","Formula":"C17H14BrN3O2S","All.Compound.Names":"Lesinurad|878672-00-5","logHenry":-8.52,"logHenry.Reference":"OPERA29","logP":2.83,"logP.Reference":"OPERA29","logWSol":-5.12,"logWSol.Reference":"OPERA29","MP":223,"MP.Reference":"OPERA29","MW":404.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.09","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"878672-00-5"}
{"Compound":"Letrozole","CAS":"112809-51-5","CAS.Checksum":true,"DTXSID":"DTXSID4023202","Formula":"C17H11N5","All.Compound.Names":"Letrozole|4,4'-(1h-1,2,4-triazol-1-ylmethylene)dibenzonitrile|112809-51-5|Dtxsid4023202","logHenry":-5.445,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.185,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.456,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.995,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.3,"MP.Reference":"EPA-CCD-OPERA","MW":285.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.41","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.92,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"112809-51-5"}
{"Compound":"Leuprolide","CAS":"53714-56-0","CAS.Checksum":true,"DTXSID":"DTXSID50872411","Formula":"C59H84N16O12","All.Compound.Names":"Leuprolide|Leuprorelin|Dtxsid50872411|53714-56-0","logHenry":-10.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.165,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.475,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.433,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.4,"MP.Reference":"EPA-CCD-OPERA","MW":1209,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.54","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"53714-56-0"}
{"Compound":"Levetiracetam","CAS":"102767-28-2","CAS.Checksum":true,"DTXSID":"DTXSID9023207","Formula":"C8H14N2O2","All.Compound.Names":"Levetiracetam|102767-28-2|Dtxsid9023207","logHenry":-8.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8181,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.882,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.261,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.1,"MP.Reference":"EPA-CCD-OPERA","MW":170.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.9","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.07,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"102767-28-2"}
{"Compound":"Levobupivacaine","CAS":"27262-47-1","CAS.Checksum":true,"DTXSID":"DTXSID8048496","Formula":"C18H28N2O","All.Compound.Names":"Levobupivacaine|Dtxsid8048496|27262-47-1","logHenry":-9.572,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.41,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.35,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.08,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.8,"MP.Reference":"EPA-CCD-OPERA","MW":288.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.03","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"27262-47-1"}
{"Compound":"Levocabastine","CAS":"79516-68-0","CAS.Checksum":true,"DTXSID":"DTXSID1048548","Formula":"C26H29FN2O2","All.Compound.Names":"Levocabastine|79516-68-0|Dtxsid1048548","logHenry":-7.741,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.502,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.794,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.026,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.2,"MP.Reference":"EPA-CCD-OPERA","MW":420.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.3","pKa_Accept.Reference":"Pearce 2017","pKa_Donor":"4.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.453","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.2,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Funbound.plasma":"0.47","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1.1,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"79516-68-0"}
{"Compound":"Levodopa","CAS":"59-92-7","CAS.Checksum":true,"DTXSID":"DTXSID9023209","Formula":"C9H11NO4","All.Compound.Names":"Levodopa|L-dopa|59-92-7|Dtxsid9023209","logHenry":-8.847,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.386,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.79,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.652,"logWSol.Reference":"EPA-CCD-OPERA","MP":224.9,"MP.Reference":"EPA-CCD-OPERA","MW":197.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.06","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"4.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.363,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.41,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.76","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"59-92-7"}
{"Compound":"Levofloxacin","CAS":"100986-85-4","CAS.Checksum":true,"DTXSID":"DTXSID0041060","Formula":"C18H20FN3O4","All.Compound.Names":"Levofloxacin|100986-85-4|Dtxsid0041060","logHenry":-8.937,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3878,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.81,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.11,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.8,"MP.Reference":"EPA-CCD-OPERA","MW":361.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.2","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"1.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"11,4.86,24.7","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.75","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.05,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.876,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"100986-85-4"}
{"Compound":"Levonorgestrel","CAS":"797-63-7","CAS.Checksum":true,"DTXSID":"DTXSID3036496","Formula":"C21H28O2","All.Compound.Names":"Levonorgestrel|Norgestrel|797-63-7|Dtxsid3036496","logHenry":-8.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.067,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.08,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.255,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.7,"MP.Reference":"EPA-CCD-OPERA","MW":312.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Mouse|Dog|Monkey","Dog.Foral":0.22,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"24.6,13.7,44.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"9.89,5.24,13.6,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.94,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.0369,0.0316,0.0428","Human.Funbound.plasma.Reference":"Wambaugh 2019","Monkey.Foral":0.09,"Monkey.Foral.Reference":"Musther 2014","Mouse.Foral":0.67,"Mouse.Foral.Reference":"Musther 2014","Rat.Clint":"31.6","Rat.Clint.Reference":"Honda 2019","Rat.Foral":0.09,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.0194","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"797-63-7"}
{"Compound":"Levorphanol","CAS":"77-07-6","CAS.Checksum":true,"DTXSID":"DTXSID3023213","Formula":"C17H23NO","All.Compound.Names":"Levorphanol|Dtxsid3023213|77-07-6","logHenry":-7.962,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.112,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.177,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.386,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.4,"MP.Reference":"EPA-CCD-OPERA","MW":257.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.6","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"77-07-6"}
{"Compound":"Levosimendan","CAS":"141505-33-1","CAS.Checksum":true,"DTXSID":"DTXSID9046445","Formula":"C14H12N6O","All.Compound.Names":"Levosimendan|141505-33-1|Dtxsid9046445","logHenry":-8.6,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.405,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.474,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.151,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.8,"MP.Reference":"EPA-CCD-OPERA","MW":280.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.91","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"6.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.85,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"141505-33-1"}
{"Compound":"Licarbazepine","CAS":"29331-92-8","CAS.Checksum":true,"DTXSID":"DTXSID50865484","Formula":"C15H14N2O2","All.Compound.Names":"Licarbazepine|Dtxsid50865484|29331-92-8","logHenry":-10.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.141,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.019,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.972,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.2,"MP.Reference":"EPA-CCD-OPERA","MW":254.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.7","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"29331-92-8"}
{"Compound":"Linezolid","CAS":"165800-03-3","CAS.Checksum":true,"DTXSID":"DTXSID5046489","Formula":"C16H20FN3O4","All.Compound.Names":"Linezolid|165800-03-3|Dtxsid5046489","logHenry":-9.235,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.09914,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.24,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.102,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.6,"MP.Reference":"EPA-CCD-OPERA","MW":337.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.02","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.45","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat|Dog","Dog.Foral":0.95,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.05,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.95,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.69","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.73,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.95,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"165800-03-3"}
{"Compound":"Liraglutide","CAS":"204656-20-2","CAS.Checksum":true,"DTXSID":"DTXSID60174433","Formula":"C172H265N43O51","All.Compound.Names":"Liraglutide","MW":3751,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"204656-20-2"}
{"Compound":"Lisinopril","CAS":"76547-98-3","CAS.Checksum":true,"DTXSID":"DTXSID6040537","Formula":"C21H31N3O5","All.Compound.Names":"Lisinopril|76547-98-3|Dtxsid6040537","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.22,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.65,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6237,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.5,"MP.Reference":"EPA-CCD-OPERA","MW":405.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.91","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.28,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.89,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.25,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"76547-98-3"}
{"Compound":"Lomitapide","CAS":"182431-12-5","CAS.Checksum":true,"DTXSID":"DTXSID50171294","Formula":"C39H37F6N3O2","All.Compound.Names":"Lomitapide|Dtxsid50171294|182431-12-5","logHenry":-7.881,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.039,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.707,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.655,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.2,"MP.Reference":"EPA-CCD-OPERA","MW":693.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.002","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"182431-12-5"}
{"Compound":"Lormetazepam","CAS":"848-75-9","CAS.Checksum":true,"DTXSID":"DTXSID40862442","Formula":"C16H12Cl2N2O2","All.Compound.Names":"Lormetazepam|848-75-9|Dtxsid40862442","logHenry":-8.076,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.847,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.764,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.464,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.8,"MP.Reference":"EPA-CCD-OPERA","MW":335.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.06","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.68","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.97,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.83,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.75,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.12","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"848-75-9"}
{"Compound":"Losartan","CAS":"114798-26-4","CAS.Checksum":true,"DTXSID":"DTXSID7023227","Formula":"C22H23ClN6O","All.Compound.Names":"Losartan|114798-26-4|Dtxsid7023227","logHenry":-7.011,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.469,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.805,"logWSol.Reference":"EPA-CCD-OPERA","MP":184,"MP.Reference":"EPA-CCD-OPERA","MW":422.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.07","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"7.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.8,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.66,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.68,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.557,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"114798-26-4"}
{"Compound":"Lovastatin (acid)","CAS":"75225-51-3","CAS.Checksum":true,"DTXSID":"DTXSID20873334","Formula":"C24H38O6","All.Compound.Names":"Lovastatin (acid)|Lovastatin acid|Dtxsid20873334|75225-51-3","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.038,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.304,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.201,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.5,"MP.Reference":"EPA-CCD-OPERA","MW":422.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.043","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"75225-51-3"}
{"Compound":"Lubeluzole","CAS":"144665-07-6","CAS.Checksum":true,"DTXSID":"DTXSID60162779","Formula":"C22H25F2N3O2S","All.Compound.Names":"Lubeluzole|Dtxsid60162779|144665-07-6","logHenry":-6.869,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.637,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.642,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.487,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.8,"MP.Reference":"EPA-CCD-OPERA","MW":433.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.6","pKa_Accept.Reference":"Pearce 2017","pKa_Donor":"9.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.003","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.58,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Clint":"0","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.01","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.76,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"144665-07-6"}
{"Compound":"Ly2090314","CAS":"603288-22-8","CAS.Checksum":true,"DTXSID":"DTXSID90209085","Formula":"C28H25FN6O3","All.Compound.Names":"Ly2090314|Ly-2090314|Dtxsid90209085|603288-22-8","logHenry":-7.611,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.85,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.529,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.591,"logWSol.Reference":"EPA-CCD-OPERA","MP":251.2,"MP.Reference":"EPA-CCD-OPERA","MW":512.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"603288-22-8"}
{"Compound":"Maprotiline","CAS":"10262-69-8","CAS.Checksum":true,"DTXSID":"DTXSID7045029","Formula":"C20H23N","All.Compound.Names":"Maprotiline|Maprotinline|10262-69-8|Dtxsid7045029","logHenry":-5.578,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.245,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.168,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.884,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.13,"MP.Reference":"EPA-CCD-OPERA","MW":277.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.723","Human.Clint.Reference":"Tonnelier 2012","Human.Foral":0.68,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.11","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"10262-69-8"}
{"Compound":"Maraviroc","CAS":"376348-65-1","CAS.Checksum":true,"DTXSID":"DTXSID8048949","Formula":"C29H41F2N5O","All.Compound.Names":"Maraviroc|376348-65-1|Dtxsid8048949","logHenry":-9.82,"logHenry.Reference":"OPERA29","logP":4.77,"logP.Reference":"OPERA29","logWSol":-4.69,"logWSol.Reference":"OPERA29","MP":214,"MP.Reference":"OPERA29","MW":513.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.23,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.25","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"376348-65-1"}
{"Compound":"Maxipost","CAS":"187523-35-9","CAS.Checksum":true,"DTXSID":"DTXSID70870176","Formula":"C16H10ClF4NO2","All.Compound.Names":"Maxipost|(+)-maxipost|Dtxsid70870176|187523-35-9","logHenry":-8.993,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.153,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.3,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.838,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.2,"MP.Reference":"EPA-CCD-OPERA","MW":359.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.0038","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"187523-35-9"}
{"Compound":"Mazapertine","CAS":"134208-17-6","CAS.Checksum":true,"DTXSID":"DTXSID40158594","Formula":"C26H35N3O2","All.Compound.Names":"Mazapertine|Dtxsid40158594|134208-17-6","logHenry":-6.211,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.156,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.526,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.784,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.5,"MP.Reference":"EPA-CCD-OPERA","MW":421.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.011","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.52,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Clint":"0","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.03","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.63,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"134208-17-6"}
{"Compound":"Mebendazole","CAS":"31431-39-7","CAS.Checksum":true,"DTXSID":"DTXSID4040682","Formula":"C16H13N3O3","All.Compound.Names":"Mebendazole|31431-39-7|Dtxsid4040682","logHenry":-9.761,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.829,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.65,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.903,"logWSol.Reference":"EPA-CCD-OPERA","MP":288.4,"MP.Reference":"EPA-CCD-OPERA","MW":295.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.42","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"12.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10","Human.Clint.Reference":"Williamson 2020","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.62,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.36,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.22,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.086","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"31431-39-7"}
{"Compound":"Melagatran","CAS":"159776-70-2","CAS.Checksum":true,"DTXSID":"DTXSID30166724","Formula":"C22H31N5O4","All.Compound.Names":"Melagatran|159776-70-2|Dtxsid30166724","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9763,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.52,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.801,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.4,"MP.Reference":"EPA-CCD-OPERA","MW":429.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.48,7.66","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"4.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.72,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.15,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.39,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.05,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.93","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.13,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"159776-70-2"}
{"Compound":"Melatonin","CAS":"73-31-4","CAS.Checksum":true,"DTXSID":"DTXSID1022421","Formula":"C13H16N2O2","All.Compound.Names":"Melatonin|73-31-4|Dtxsid1022421","logHenry":-9.556,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6118,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.789,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.245,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.9,"MP.Reference":"EPA-CCD-OPERA","MW":232.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.998","Human.Clint.pValue":0.9982,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.12,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.498,0.394,0.684","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"73-31-4"}
{"Compound":"Meloxicam","CAS":"71125-38-7","CAS.Checksum":true,"DTXSID":"DTXSID1020803","Formula":"C14H13N3O4S2","All.Compound.Names":"Meloxicam|71125-38-7|Dtxsid1020803","logHenry":-10.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.427,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.992,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.079,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.2,"MP.Reference":"EPA-CCD-OPERA","MW":351.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.40","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"3.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Mouse|Rat|Dog","Dog.Foral":1,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"13.8,6.12,31.1","Human.Caco2.Pab.Reference":"Lanevskij","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.98,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.003","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.22,"Human.Rblood2plasma.Reference":"Paixao 2012","Mouse.Foral":0.94,"Mouse.Foral.Reference":"Musther 2014","Rat.Foral":0.95,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"71125-38-7"}
{"Compound":"Melphalan","CAS":"148-82-3","CAS.Checksum":true,"DTXSID":"DTXSID6020804","Formula":"C13H18Cl2N2O2","All.Compound.Names":"Melphalan|148-82-3|Dtxsid6020804","logHenry":-9.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5122,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.706,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.275,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.4,"MP.Reference":"EPA-CCD-OPERA","MW":305.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.64","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.74,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.14","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.96,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"148-82-3"}
{"Compound":"Meperidine","CAS":"57-42-1","CAS.Checksum":true,"DTXSID":"DTXSID9023253","Formula":"C15H21NO2","All.Compound.Names":"Meperidine|57-42-1|Dtxsid9023253","logHenry":-7.707,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.721,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.072,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.892,"logWSol.Reference":"EPA-CCD-OPERA","MP":269.4,"MP.Reference":"EPA-CCD-OPERA","MW":247.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.42","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.87,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"57-42-1"}
{"Compound":"Mepindolol","CAS":"23694-81-7","CAS.Checksum":true,"DTXSID":"DTXSID40865110","Formula":"C15H22N2O2","All.Compound.Names":"Mepindolol|1-[(2-methyl-1h-indol-4-yl)oxy]-3-[(propan-2-yl)amino]propan-2-ol|23694-81-7|Dtxsid40865110","logHenry":-7.117,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.297,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.933,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.296,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.6,"MP.Reference":"EPA-CCD-OPERA","MW":262.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.4,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.8214,"Human.Foral.Reference":"Musther 2014","Human.Funbound.plasma":"0.51","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.015,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"23694-81-7"}
{"Compound":"Mepivacaine","CAS":"96-88-8","CAS.Checksum":true,"DTXSID":"DTXSID9023259","Formula":"C15H22N2O","All.Compound.Names":"Mepivacaine|96-88-8|Dtxsid9023259","logHenry":-9.529,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.953,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.684,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.552,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.5,"MP.Reference":"EPA-CCD-OPERA","MW":246.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.34","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.62","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.55,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.3","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.9,"Human.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"96-88-8"}
{"Compound":"Meprobamate","CAS":"57-53-4","CAS.Checksum":true,"DTXSID":"DTXSID3023261","Formula":"C9H18N2O4","All.Compound.Names":"Meprobamate|Dtxsid3023261|57-53-4","logHenry":-9.094,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7018,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.469,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.697,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.9,"MP.Reference":"EPA-CCD-OPERA","MW":218.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"57-53-4"}
{"Compound":"Meptazinol","CAS":"54340-58-8","CAS.Checksum":true,"DTXSID":"DTXSID6048543","Formula":"C15H23NO","All.Compound.Names":"Meptazinol|54340-58-8|Dtxsid6048543","logHenry":-9.059,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.476,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.114,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.647,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.87,"MP.Reference":"EPA-CCD-OPERA","MW":233.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.43","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.23","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.09,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.73","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"54340-58-8"}
{"Compound":"Mercaptopurine, 6-","CAS":"50-44-2","CAS.Checksum":true,"DTXSID":"DTXSID0020810","Formula":"C5H4N4S","All.Compound.Names":"Mercaptopurine, 6-|Mercaptopurine|6-mercaptopurine|50-44-2|Dtxsid0020810","logHenry":-8.066,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.00999,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.829,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3511,"logWSol.Reference":"EPA-CCD-OPERA","MP":250.2,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.52","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.69,11.78","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Monkey","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.19,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.85","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.2,"Human.Rblood2plasma.Reference":"Paixao 2012","Monkey.Foral":0.08,"Monkey.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"50-44-2"}
{"Compound":"Meropenem","CAS":"96036-03-2","CAS.Checksum":true,"DTXSID":"DTXSID7045526","Formula":"C17H25N3O5S","All.Compound.Names":"Meropenem|96036-03-2|Dtxsid7045526","logHenry":-11.23,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7314,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.629,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.043,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.1,"MP.Reference":"EPA-CCD-OPERA","MW":383.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.39","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"4.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.87","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"96036-03-2"}
{"Compound":"Metaproterenol","CAS":"586-06-1","CAS.Checksum":true,"DTXSID":"DTXSID8048529","Formula":"C11H17NO3","All.Compound.Names":"Metaproterenol|Dtxsid8048529|586-06-1","logHenry":-10.45,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8787,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.527,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.161,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.2,"MP.Reference":"EPA-CCD-OPERA","MW":211.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.9","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"586-06-1"}
{"Compound":"Metformin","CAS":"657-24-9","CAS.Checksum":true,"DTXSID":"DTXSID2023270","Formula":"C4H11N5","All.Compound.Names":"Metformin|657-24-9|Dtxsid2023270","logHenry":-8.452,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3758,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.551,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.225,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.4,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"13.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.52,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.52,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.04,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.341,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"657-24-9"}
{"Compound":"Methadone","CAS":"76-99-3","CAS.Checksum":true,"DTXSID":"DTXSID7023273","Formula":"C21H27NO","All.Compound.Names":"Methadone|76-99-3|Dtxsid7023273","logHenry":-8.016,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.93,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.011,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.612,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.4,"MP.Reference":"EPA-CCD-OPERA","MW":309.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.76","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.97,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.94,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.93,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.21","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.75,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"76-99-3"}
{"Compound":"Methamphetamine","CAS":"537-46-2","CAS.Checksum":true,"DTXSID":"DTXSID8037128","Formula":"C10H15N","All.Compound.Names":"Methamphetamine|537-46-2|Dtxsid8037128","logHenry":-5.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.072,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.12,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.495,"logWSol.Reference":"EPA-CCD-OPERA","MP":-24.38,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.67,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.85","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"537-46-2"}
{"Compound":"Methicillin","CAS":"61-32-5","CAS.Checksum":true,"DTXSID":"DTXSID6023284","Formula":"C17H20N2O6S","All.Compound.Names":"Methicillin|61-32-5|Dtxsid6023284","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.222,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.318,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.097,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.9,"MP.Reference":"EPA-CCD-OPERA","MW":380.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.43","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"61-32-5"}
{"Compound":"Methyldopa","CAS":"555-30-6","CAS.Checksum":true,"DTXSID":"DTXSID5023295","Formula":"C10H13NO4","All.Compound.Names":"Methyldopa|(-)-methyldopa|555-30-6|Dtxsid5023295","logHenry":-8.853,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.422,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.828,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.323,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.6,"MP.Reference":"EPA-CCD-OPERA","MW":211.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.68","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.4,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.85,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.94,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.42,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.85","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"555-30-6"}
{"Compound":"Methylnaltrexone","CAS":"73232-52-7","CAS.Checksum":true,"DTXSID":"DTXSID30868236","Formula":"C21H26BrNO4","All.Compound.Names":"Methylnaltrexone|Naltrexone methobromide|Dtxsid30868236|73232-52-7","logHenry":-9.886,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.511,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.94,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.427,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.7,"MP.Reference":"EPA-CCD-OPERA","MW":436.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.61","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.90,12.41","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.87","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"73232-52-7"}
{"Compound":"Methylphenidate","CAS":"113-45-1","CAS.Checksum":true,"DTXSID":"DTXSID5023299","Formula":"C14H19NO2","All.Compound.Names":"Methylphenidate|113-45-1|Dtxsid5023299","logHenry":-9.536,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2082,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.612,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.6,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.4,"MP.Reference":"EPA-CCD-OPERA","MW":233.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.51","Human.Clint.Reference":"Tonnelier 2012","Human.Foral":0.22,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.85","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"113-45-1"}
{"Compound":"Metoclopramide","CAS":"364-62-5","CAS.Checksum":true,"DTXSID":"DTXSID6045169","Formula":"C14H22ClN3O2","All.Compound.Names":"Metoclopramide|364-62-5|Dtxsid6045169","logHenry":-9.699,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.619,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.646,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.237,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.3,"MP.Reference":"EPA-CCD-OPERA","MW":299.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.21","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.49","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.57","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.95,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.8,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.6","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.96,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.7191,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"364-62-5"}
{"Compound":"Metocurine","CAS":"5152-30-7","CAS.Checksum":true,"DTXSID":"DTXSID0048262","Formula":"C40H48N2O6","All.Compound.Names":"Metocurine|Dimethyltubocurarine|Dtxsid0048262|5152-30-7","logHenry":-6.472,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.027,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.646,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.387,"logWSol.Reference":"EPA-CCD-OPERA","MP":158,"MP.Reference":"EPA-CCD-OPERA","MW":652.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.14","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.99,14.52","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.65","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"5152-30-7"}
{"Compound":"Metolazone","CAS":"17560-51-9","CAS.Checksum":true,"DTXSID":"DTXSID6045167","Formula":"C16H16ClN3O3S","All.Compound.Names":"Metolazone|17560-51-9|Dtxsid6045167","logHenry":-10.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.26,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.23,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.78,"logWSol.Reference":"EPA-CCD-OPERA","MP":255.9,"MP.Reference":"EPA-CCD-OPERA","MW":365.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.8,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.64,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.41,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.65,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"17560-51-9"}
{"Compound":"Metrizoate","CAS":"1949-45-7","CAS.Checksum":true,"DTXSID":"DTXSID6023311","Formula":"C12H11I3N2O4","All.Compound.Names":"Metrizoate|Metrizoic acid|Dtxsid6023311|1949-45-7","logHenry":-10.24,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.145,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.469,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.002,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.1,"MP.Reference":"EPA-CCD-OPERA","MW":627.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1949-45-7"}
{"Compound":"Metronidazole","CAS":"443-48-1","CAS.Checksum":true,"DTXSID":"DTXSID2020892","Formula":"C6H9N3O3","All.Compound.Names":"Metronidazole|443-48-1|Dtxsid2020892","logHenry":-8.25,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.02363,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.373,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.244,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.1,"MP.Reference":"EPA-CCD-OPERA","MW":171.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.97,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.96","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.07,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"443-48-1"}
{"Compound":"Mexiletine","CAS":"31828-71-4","CAS.Checksum":true,"DTXSID":"DTXSID8048446","Formula":"C11H17NO","All.Compound.Names":"Mexiletine|31828-71-4|Dtxsid8048446","logHenry":-5.979,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.149,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.343,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.839,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.7,"MP.Reference":"EPA-CCD-OPERA","MW":179.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"282,125,635","Human.Caco2.Pab.Reference":"ChEMBL","Human.Foral":0.87,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.36","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"31828-71-4"}
{"Compound":"Mezlocillin","CAS":"51481-65-3","CAS.Checksum":true,"DTXSID":"DTXSID1023316","Formula":"C21H25N5O8S2","All.Compound.Names":"Mezlocillin|Dtxsid1023316|51481-65-3","logHenry":-10.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1872,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.712,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.663,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.7,"MP.Reference":"EPA-CCD-OPERA","MW":539.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.16","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.7","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"51481-65-3"}
{"Compound":"Mianserin","CAS":"24219-97-4","CAS.Checksum":true,"DTXSID":"DTXSID6023317","Formula":"C18H20N2","All.Compound.Names":"Mianserin|24219-97-4|Dtxsid6023317","logHenry":-5.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.241,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.394,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.135,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.7,"MP.Reference":"EPA-CCD-OPERA","MW":264.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.841","Human.Clint.Reference":"Wood 2017","Human.Foral":0.22,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"24219-97-4"}
{"Compound":"Mibefradil","CAS":"116644-53-2","CAS.Checksum":true,"DTXSID":"DTXSID1023318","Formula":"C29H38FN3O3","All.Compound.Names":"Mibefradil|116644-53-2|Dtxsid1023318","logHenry":-7.5,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.926,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.272,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.371,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.7,"MP.Reference":"EPA-CCD-OPERA","MW":495.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.86","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.54","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"13.5,5.99,30.4","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"26","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.75,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.005","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"116644-53-2"}
{"Compound":"Micafungin","CAS":"235114-32-6","CAS.Checksum":true,"DTXSID":"DTXSID90873341","Formula":"C56H71N9O23S","All.Compound.Names":"Micafungin|Dtxsid90873341|235114-32-6","logHenry":-10.57,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.15,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.49,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.469,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.5,"MP.Reference":"EPA-CCD-OPERA","MW":1270,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.0023","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"235114-32-6"}
{"Compound":"Miconazole","CAS":"22916-47-8","CAS.Checksum":true,"DTXSID":"DTXSID6023319","Formula":"C18H14Cl4N2O","All.Compound.Names":"Miconazole|22916-47-8|Dtxsid6023319","logHenry":-5.527,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.7,"logMA.Reference":"Endo 2011","logP":4.285,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.412,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.185,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.9,"MP.Reference":"EPA-CCD-OPERA","MW":416.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.25,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.08","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"22916-47-8"}
{"Compound":"Midodrine","CAS":"42794-76-3","CAS.Checksum":true,"DTXSID":"DTXSID0023321","Formula":"C12H18N2O4","All.Compound.Names":"Midodrine|42794-76-3|Dtxsid0023321","logHenry":-9.688,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.279,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.936,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.203,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.9,"MP.Reference":"EPA-CCD-OPERA","MW":254.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Human.Foral":0.93,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.7","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"42794-76-3"}
{"Compound":"Mifepristone","CAS":"84371-65-3","CAS.Checksum":true,"DTXSID":"DTXSID5023322","Formula":"C29H35NO2","All.Compound.Names":"Mifepristone|84371-65-3|Dtxsid5023322","logHenry":-7.637,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.814,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.452,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.897,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.9,"MP.Reference":"EPA-CCD-OPERA","MW":429.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.89","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"12.87","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"32.3,17.9,58","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"33.2,23.7,38.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.69,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.0167,0.0123,0.026","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"84371-65-3"}
{"Compound":"Miglitol","CAS":"72432-03-2","CAS.Checksum":true,"DTXSID":"DTXSID0023323","Formula":"C8H17NO5","All.Compound.Names":"Miglitol|72432-03-2|Dtxsid0023323","logHenry":-9.647,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.124,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.56,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3096,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.6,"MP.Reference":"EPA-CCD-OPERA","MW":207.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.83","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.91,14.07","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.59,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.6,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"72432-03-2"}
{"Compound":"Milnacipran","CAS":"92623-85-3","CAS.Checksum":true,"DTXSID":"DTXSID3048287","Formula":"C15H22N2O","All.Compound.Names":"Milnacipran|92623-85-3|Dtxsid3048287","logHenry":-8.56,"logHenry.Reference":"OPERA29","logP":2.03,"logP.Reference":"OPERA29","logWSol":-2.91,"logWSol.Reference":"OPERA29","MP":203,"MP.Reference":"OPERA29","MW":246.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.84,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.87","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"92623-85-3"}
{"Compound":"Milrinone","CAS":"78415-72-2","CAS.Checksum":true,"DTXSID":"DTXSID5023324","Formula":"C12H9N3O","All.Compound.Names":"Milrinone|78415-72-2|Dtxsid5023324","logHenry":-8.054,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.404,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.01,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.388,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.88,"MP.Reference":"EPA-CCD-OPERA","MW":211.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.97,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.95,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.86,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.035","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"78415-72-2"}
{"Compound":"Minocycline","CAS":"10118-90-8","CAS.Checksum":true,"DTXSID":"DTXSID1045033","Formula":"C23H27N3O7","All.Compound.Names":"Minocycline|10118-90-8|Dtxsid1045033","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.04982,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.387,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9453,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.4,"MP.Reference":"EPA-CCD-OPERA","MW":457.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.11,4.47","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"7.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.05,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.95,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.97,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.005","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"10118-90-8"}
{"Compound":"Minoxidil","CAS":"38304-91-5","CAS.Checksum":true,"DTXSID":"DTXSID9040685","Formula":"C9H15N5O","All.Compound.Names":"Minoxidil|38304-91-5|Dtxsid9040685","logHenry":-8.911,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.24,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.821,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.99,"logWSol.Reference":"EPA-CCD-OPERA","MP":248,"MP.Reference":"EPA-CCD-OPERA","MW":209.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.95,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"38304-91-5"}
{"Compound":"Mipomersen","CAS":"1000120-98-8","CAS.Checksum":true,"DTXSID":"DTXSID10142864","Formula":"C230H305N67O122P19S19","All.Compound.Names":"Mipomersen","MW":7158,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1000120-98-8"}
{"Compound":"Mirabegron","CAS":"223673-61-8","CAS.Checksum":true,"DTXSID":"DTXSID101021648","Formula":"C21H24N4O2S","All.Compound.Names":"Mirabegron|223673-61-8","logHenry":-9.07,"logHenry.Reference":"OPERA29","logP":0.77,"logP.Reference":"OPERA29","logWSol":-4.51,"logWSol.Reference":"OPERA29","MP":178,"MP.Reference":"OPERA29","MW":396.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"13.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.29","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"223673-61-8"}
{"Compound":"Mirtazapine","CAS":"61337-67-5","CAS.Checksum":true,"DTXSID":"DTXSID0023325","Formula":"C17H19N3","All.Compound.Names":"Mirtazapine|61337-67-5|Dtxsid0023325","logHenry":-8.05,"logHenry.Reference":"OPERA29","logP":3.04,"logP.Reference":"OPERA29","logPwa":6.99,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.61,"logWSol.Reference":"OPERA29","MP":120,"MP.Reference":"OPERA29","MW":265.2,"MW.Reference":"OPERA29","pKa_Accept":"7.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"OPERA29","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4","Human.Clint.Reference":"Williamson 2020","Human.Fabs":0.8,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.94,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.67,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.15","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"61337-67-5"}
{"Compound":"Mitoxantrone","CAS":"65271-80-9","CAS.Checksum":true,"DTXSID":"DTXSID4046947","Formula":"C22H28N4O6","All.Compound.Names":"Mitoxantrone|65271-80-9|Dtxsid4046947","logHenry":-10.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2746,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.301,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.841,"logWSol.Reference":"EPA-CCD-OPERA","MP":191,"MP.Reference":"EPA-CCD-OPERA","MW":444.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.09","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.21,10.28","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.83","Human.Clint.Reference":"Yamagata 2017","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.25","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Yamagata 2017","Chemical.Class":"","_row":"65271-80-9"}
{"Compound":"Mivacurium (cis/cis)","CAS":"106791-40-6","CAS.Checksum":true,"DTXSID":"DTXSID50873347","Formula":"C58H80N2O14","All.Compound.Names":"Mivacurium (cis/cis)|Mivacurium mixture of isomers|Dtxsid50873347|106791-40-6","logHenry":-7.949,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.446,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.226,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.976,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.3,"MP.Reference":"EPA-CCD-OPERA","MW":1029,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.7","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"106791-40-6"}
{"Compound":"Moclobemide","CAS":"71320-77-9","CAS.Checksum":true,"DTXSID":"DTXSID9040554","Formula":"C13H17ClN2O2","All.Compound.Names":"Moclobemide|71320-77-9|Dtxsid9040554","logHenry":-9.008,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.215,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.108,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.7,"MP.Reference":"EPA-CCD-OPERA","MW":268.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.41","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.73","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Jones 2017","Human.Fabs":0.98,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.79,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.57,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.75,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.77","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"71320-77-9"}
{"Compound":"Moexipril","CAS":"103775-10-6","CAS.Checksum":true,"DTXSID":"DTXSID9023330","Formula":"C27H34N2O7","All.Compound.Names":"Moexipril|103775-10-6|Dtxsid9023330","logHenry":-10.95,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.708,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.945,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.319,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.5,"MP.Reference":"EPA-CCD-OPERA","MW":498.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.96","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.13,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.12","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"103775-10-6"}
{"Compound":"Molsidomine","CAS":"25717-80-0","CAS.Checksum":true,"DTXSID":"DTXSID0045171","Formula":"C9H14N4O4","All.Compound.Names":"Molsidomine|25717-80-0|Dtxsid0045171","logHenry":-8.606,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4484,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.783,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.634,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.5,"MP.Reference":"EPA-CCD-OPERA","MW":242.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.48,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"25717-80-0"}
{"Compound":"Mometasone furoate","CAS":"83919-23-7","CAS.Checksum":true,"DTXSID":"DTXSID4023333","Formula":"C27H30Cl2O6","All.Compound.Names":"Mometasone furoate|Dtxsid4023333|83919-23-7","logHenry":-9.725,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.9,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.32,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.57,"logWSol.Reference":"EPA-CCD-OPERA","MP":241.3,"MP.Reference":"EPA-CCD-OPERA","MW":521.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"83919-23-7"}
{"Compound":"Montelukast","CAS":"158966-92-8","CAS.Checksum":true,"DTXSID":"DTXSID9023334","Formula":"C35H36ClNO3S","All.Compound.Names":"Montelukast|158966-92-8|Dtxsid9023334","logHenry":-7.595,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.416,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3235,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.24,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.3,"MP.Reference":"EPA-CCD-OPERA","MW":586.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.119615,4.886443","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"5.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"29.6","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.8,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.8,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.97,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.66,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.002","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"158966-92-8"}
{"Compound":"Morphine-6-glucuronide","CAS":"20290-10-2","CAS.Checksum":true,"DTXSID":"DTXSID40174158","Formula":"C23H27NO9","All.Compound.Names":"Morphine-6-glucuronide|Morphine 6-glucuronide|Dtxsid40174158|20290-10-2","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2576,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.239,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.434,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.6,"MP.Reference":"EPA-CCD-OPERA","MW":461.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.12","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"7.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.67","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"20290-10-2"}
{"Compound":"Moxalactam","CAS":"64952-97-2","CAS.Checksum":true,"DTXSID":"DTXSID9023338","Formula":"C20H20N6O9S","All.Compound.Names":"Moxalactam|64952-97-2|Dtxsid9023338","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5785,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.06,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.641,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.7,"MP.Reference":"EPA-CCD-OPERA","MW":520.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.85,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.39","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"64952-97-2"}
{"Compound":"Moxifloxacin","CAS":"151096-09-2","CAS.Checksum":true,"DTXSID":"DTXSID3048491","Formula":"C21H24FN3O4","All.Compound.Names":"Moxifloxacin|151096-09-2|Dtxsid3048491","logHenry":-10.37,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.604,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.963,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.471,"logWSol.Reference":"EPA-CCD-OPERA","MP":225,"MP.Reference":"EPA-CCD-OPERA","MW":401.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.42","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"1.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.04,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.92,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.94,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.6","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.05,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"151096-09-2"}
{"Compound":"Moxonidine","CAS":"75438-57-2","CAS.Checksum":true,"DTXSID":"DTXSID5045170","Formula":"C9H12ClN5O","All.Compound.Names":"Moxonidine|75438-57-2|Dtxsid5045170","logHenry":-8.211,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.8,"logMA.Reference":"Endo 2011","logP":0.8997,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.276,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.955,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.3,"MP.Reference":"EPA-CCD-OPERA","MW":241.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.18","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Human.Fabs":0.99,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.05,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.85,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.88,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.93","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.051,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"75438-57-2"}
{"Compound":"Mycophenolic acid","CAS":"24280-93-1","CAS.Checksum":true,"DTXSID":"DTXSID4041070","Formula":"C17H20O6","All.Compound.Names":"Mycophenolic acid|Dtxsid4041070|24280-93-1","logHenry":-9.687,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.448,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.904,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.732,"logWSol.Reference":"EPA-CCD-OPERA","MP":141,"MP.Reference":"EPA-CCD-OPERA","MW":320.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"14.79","Human.Clint.Reference":"Dawson 2021","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"24280-93-1"}
{"Compound":"Nafarelin","CAS":"76932-56-4","CAS.Checksum":true,"DTXSID":"DTXSID001031284","Formula":"C66H83N17O13","All.Compound.Names":"Nafarelin|Nafareline|76932-56-4","logHenry":-11.82,"logHenry.Reference":"OPERA29","logP":-0.85,"logP.Reference":"OPERA29","logWSol":-4.2,"logWSol.Reference":"OPERA29","MP":215,"MP.Reference":"OPERA29","MW":1322,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.19","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"76932-56-4"}
{"Compound":"Nafcillin","CAS":"147-52-4","CAS.Checksum":true,"DTXSID":"DTXSID8023343","Formula":"C21H22N2O5S","All.Compound.Names":"Nafcillin|147-52-4|Dtxsid8023343","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.779,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.858,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.545,"logWSol.Reference":"EPA-CCD-OPERA","MP":208.4,"MP.Reference":"EPA-CCD-OPERA","MW":414.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.3,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.13","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"147-52-4"}
{"Compound":"Naftopidil","CAS":"57149-07-2","CAS.Checksum":true,"DTXSID":"DTXSID5045176","Formula":"C24H28N2O3","All.Compound.Names":"Naftopidil|Dtxsid5045176|57149-07-2","logHenry":-9.466,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.584,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.109,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.84,"MP.Reference":"EPA-CCD-OPERA","MW":392.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.008","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"57149-07-2"}
{"Compound":"Nalbuphine","CAS":"20594-83-6","CAS.Checksum":true,"DTXSID":"DTXSID8023345","Formula":"C21H27NO4","All.Compound.Names":"Nalbuphine|20594-83-6|Dtxsid8023345","logHenry":-10.08,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.723,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.599,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.672,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.5,"MP.Reference":"EPA-CCD-OPERA","MW":357.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.97","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.39,13.49,14.27","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat|Dog","Dog.Foral":0.0476,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.16,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.5","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.02486,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"20594-83-6"}
{"Compound":"Nalmefene","CAS":"55096-26-9","CAS.Checksum":true,"DTXSID":"DTXSID8023347","Formula":"C21H25NO3","All.Compound.Names":"Nalmefene|55096-26-9|Dtxsid8023347","logHenry":-9.152,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.676,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.74,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.5,"logWSol.Reference":"EPA-CCD-OPERA","MP":189,"MP.Reference":"EPA-CCD-OPERA","MW":339.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.44","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.35,13.59","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.65","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.11,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"55096-26-9"}
{"Compound":"Naltrexone","CAS":"16590-41-3","CAS.Checksum":true,"DTXSID":"DTXSID4046313","Formula":"C20H23NO4","All.Compound.Names":"Naltrexone|16590-41-3|Dtxsid4046313","logHenry":-10.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.919,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.518,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.101,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.1,"MP.Reference":"EPA-CCD-OPERA","MW":341.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.87","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.11,13.59","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Mouse|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"17.91","Human.Clint.Reference":"Wood 2017","Human.Foral":0.22,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.79","Human.Funbound.plasma.Reference":"Lombardo 2018","Mouse.Foral":0.008,"Mouse.Foral.Reference":"Musther 2014","Rat.Foral":0.9154,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"16590-41-3"}
{"Compound":"Naphtidrofuryl oxalate","CAS":"31329-57-4","CAS.Checksum":true,"DTXSID":"DTXSID3023344","Formula":"C24H33NO3","All.Compound.Names":"Naphtidrofuryl oxalate|Nafronyl|Dtxsid3023344|31329-57-4","logHenry":-6.774,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.852,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.859,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.803,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.92,"MP.Reference":"EPA-CCD-OPERA","MW":383.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.2","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"31329-57-4"}
{"Compound":"Napsagatran","CAS":"154397-77-0","CAS.Checksum":true,"DTXSID":"DTXSID60873338","Formula":"C26H34N6O6S","All.Compound.Names":"Napsagatran|Dtxsid60873338|154397-77-0","logHenry":-10.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2176,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.738,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.005,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.2,"MP.Reference":"EPA-CCD-OPERA","MW":558.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.55","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"154397-77-0"}
{"Compound":"Naratriptan","CAS":"121679-13-8","CAS.Checksum":true,"DTXSID":"DTXSID7023354","Formula":"C17H25N3O2S","All.Compound.Names":"Naratriptan|121679-13-8|Dtxsid7023354","logHenry":-8.241,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.301,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.06,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.839,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.1,"MP.Reference":"EPA-CCD-OPERA","MW":335.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.22","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.55","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat|Dog","Dog.Foral":0.95,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.8,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.85,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.69,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.7","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.71,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"121679-13-8"}
{"Compound":"Nateglinide","CAS":"105816-04-4","CAS.Checksum":true,"DTXSID":"DTXSID9040687","Formula":"C19H27NO3","All.Compound.Names":"Nateglinide|105816-04-4|Dtxsid9040687","logHenry":-9.624,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.781,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.551,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.092,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.4,"MP.Reference":"EPA-CCD-OPERA","MW":317.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5","Human.Clint.Reference":"Williamson 2020","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.86,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.93,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.73,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.029","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"105816-04-4"}
{"Compound":"Nebivolol","CAS":"99200-09-6","CAS.Checksum":true,"DTXSID":"DTXSID9040556","Formula":"C22H25F2NO4","All.Compound.Names":"Nebivolol|99200-09-6|Dtxsid9040556","logHenry":-9.782,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.037,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.297,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.476,"logWSol.Reference":"EPA-CCD-OPERA","MP":253.4,"MP.Reference":"EPA-CCD-OPERA","MW":405.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"25","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.2,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Clint":"0","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.02","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1.2,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"99200-09-6"}
{"Compound":"Nedaplatin","CAS":"95734-82-0","CAS.Checksum":true,"DTXSID":"DTXSID8046878","Formula":"C2H6N2O3Pt","All.Compound.Names":"Nedaplatin|95734-82-0","logHenry":-7.48,"logHenry.Reference":"OPERA29","logP":-1.11,"logP.Reference":"OPERA29","logWSol":0.46,"logWSol.Reference":"OPERA29","MP":80,"MP.Reference":"OPERA29","MW":301.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.84","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"95734-82-0"}
{"Compound":"Nedocromil","CAS":"69049-73-6","CAS.Checksum":true,"DTXSID":"DTXSID7023356","Formula":"C19H17NO7","All.Compound.Names":"Nedocromil|69049-73-6|Dtxsid7023356","logHenry":-8.734,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.221,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.311,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.042,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.2,"MP.Reference":"EPA-CCD-OPERA","MW":371.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.03,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.11","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"69049-73-6"}
{"Compound":"Nefazodone","CAS":"83366-66-9","CAS.Checksum":true,"DTXSID":"DTXSID2023357","Formula":"C25H32ClN5O2","All.Compound.Names":"Nefazodone|83366-66-9|Dtxsid2023357","logHenry":-7.272,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.466,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.213,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.488,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.56,"MP.Reference":"EPA-CCD-OPERA","MW":470,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.09","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"8.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.14,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.28,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.69,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.2,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"83366-66-9"}
{"Compound":"Nelarabine","CAS":"121032-29-9","CAS.Checksum":true,"DTXSID":"DTXSID6046842","Formula":"C11H15N5O5","All.Compound.Names":"Nelarabine|121032-29-9|Dtxsid6046842","logHenry":-8.982,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8751,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.28,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.432,"logWSol.Reference":"EPA-CCD-OPERA","MP":232,"MP.Reference":"EPA-CCD-OPERA","MW":297.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.31","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.45,13.89,14.78","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.11,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.8","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"121032-29-9"}
{"Compound":"Nemonoxacin","CAS":"378746-64-6","CAS.Checksum":true,"DTXSID":"DTXSID10958907","Formula":"C20H25N3O4","All.Compound.Names":"Nemonoxacin|Dtxsid10958907|378746-64-6","logHenry":-11.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.215,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.331,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.956,"logWSol.Reference":"EPA-CCD-OPERA","MP":210,"MP.Reference":"EPA-CCD-OPERA","MW":371.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.65","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.84","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"378746-64-6"}
{"Compound":"Netilmicin","CAS":"56391-56-1","CAS.Checksum":true,"DTXSID":"DTXSID1048542","Formula":"C21H41N5O7","All.Compound.Names":"Netilmicin|56391-56-1|Dtxsid1048542","logHenry":-9.95,"logHenry.Reference":"OPERA29","logP":-3,"logP.Reference":"OPERA29","logWSol":-1.75,"logWSol.Reference":"OPERA29","MP":239,"MP.Reference":"OPERA29","MW":475.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.42","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"56391-56-1"}
{"Compound":"Netupitant","CAS":"290297-26-6","CAS.Checksum":true,"DTXSID":"DTXSID50183271","Formula":"C30H32F6N4O","All.Compound.Names":"Netupitant|Dtxsid50183271|290297-26-6","logHenry":-7.323,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.916,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.761,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.543,"logWSol.Reference":"EPA-CCD-OPERA","MP":137,"MP.Reference":"EPA-CCD-OPERA","MW":578.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.003","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"290297-26-6"}
{"Compound":"Nevirapine","CAS":"129618-40-2","CAS.Checksum":true,"DTXSID":"DTXSID7031797","Formula":"C15H14N4O","All.Compound.Names":"Nevirapine|129618-40-2|Dtxsid7031797","logHenry":-9.762,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.809,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.981,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.193,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.3,"MP.Reference":"EPA-CCD-OPERA","MW":266.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.92","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.45","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.94,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.93,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.32","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.91,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"129618-40-2"}
{"Compound":"Nicorandil","CAS":"65141-46-0","CAS.Checksum":true,"DTXSID":"DTXSID8045692","Formula":"C8H9N3O4","All.Compound.Names":"Nicorandil|65141-46-0|Dtxsid8045692","logHenry":-8.553,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.08673,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.796,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.16,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.56,"MP.Reference":"EPA-CCD-OPERA","MW":211.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.75,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.76","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"65141-46-0"}
{"Compound":"Nifekalant","CAS":"130636-43-0","CAS.Checksum":true,"DTXSID":"DTXSID9046495","Formula":"C19H28ClN5O5","All.Compound.Names":"Nifekalant|Nifekalant hydrochloride|Dtxsid9046495|130636-43-0","logHenry":-8.07,"logHenry.Reference":"OPERA29","logP":1.28,"logP.Reference":"OPERA29","logPwa":9.352,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.6,"logWSol.Reference":"OPERA29","MP":94,"MP.Reference":"OPERA29","MW":405.2,"MW.Reference":"OPERA29","pKa_Donor":"6.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"OPERA29","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.09","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"130636-43-0"}
{"Compound":"Nimodipine","CAS":"66085-59-4","CAS.Checksum":true,"DTXSID":"DTXSID5023370","Formula":"C21H26N2O7","All.Compound.Names":"Nimodipine|66085-59-4|Dtxsid5023370","logHenry":-7.568,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.051,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.843,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.441,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.6,"MP.Reference":"EPA-CCD-OPERA","MW":418.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.38,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.35,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.11,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.016","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.223,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"66085-59-4"}
{"Compound":"Nintedanib","CAS":"656247-17-5","CAS.Checksum":true,"DTXSID":"DTXSID201025948","Formula":"C31H33N5O4","All.Compound.Names":"Nintedanib|656247-17-5","logHenry":-7.96,"logHenry.Reference":"OPERA29","logP":3.09,"logP.Reference":"OPERA29","logWSol":-1.44,"logWSol.Reference":"OPERA29","MP":305,"MP.Reference":"OPERA29","MW":539.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"62","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"656247-17-5"}
{"Compound":"Nisoldipine","CAS":"63675-72-9","CAS.Checksum":true,"DTXSID":"DTXSID0023371","Formula":"C20H24N2O6","All.Compound.Names":"Nisoldipine|63675-72-9|Dtxsid0023371","logHenry":-7.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.26,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.665,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.595,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.9,"MP.Reference":"EPA-CCD-OPERA","MW":388.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.117,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.13,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.35,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.05,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.003","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.027,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"63675-72-9"}
{"Compound":"Nitrazepam","CAS":"146-22-5","CAS.Checksum":true,"DTXSID":"DTXSID5023372","Formula":"C15H11N3O3","All.Compound.Names":"Nitrazepam|146-22-5|Dtxsid5023372","logHenry":-8.204,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.191,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.802,"logWSol.Reference":"EPA-CCD-OPERA","MP":225,"MP.Reference":"EPA-CCD-OPERA","MW":281.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.65","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"8.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.78,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.04,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.96,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.78,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.13","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"146-22-5"}
{"Compound":"Nitrofurantoin","CAS":"67-20-9","CAS.Checksum":true,"DTXSID":"DTXSID7020972","Formula":"C8H6N4O5","All.Compound.Names":"Nitrofurantoin|67-20-9|Dtxsid7020972","logHenry":-7.836,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4691,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.23,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.391,"logWSol.Reference":"EPA-CCD-OPERA","MP":263,"MP.Reference":"EPA-CCD-OPERA","MW":238.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"2.28,1.27,4.09","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.998","Human.Clint.pValue":0.9984,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.415,0.24,0.894","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":0.76,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"67-20-9"}
{"Compound":"Nitroglycerin","CAS":"55-63-0","CAS.Checksum":true,"DTXSID":"DTXSID1021407","Formula":"C3H5N3O9","All.Compound.Names":"Nitroglycerin|Trinitroglycerin|55-63-0|Dtxsid1021407","logHenry":-5.752,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.619,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.197,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.219,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.54,"MP.Reference":"EPA-CCD-OPERA","MW":227.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.4","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"55-63-0"}
{"Compound":"Nizatidine","CAS":"76963-41-2","CAS.Checksum":true,"DTXSID":"DTXSID5023376","Formula":"C12H21N5O2S2","All.Compound.Names":"Nizatidine|76963-41-2|Dtxsid5023376","logHenry":-8.782,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3,"logMA.Reference":"Pearce 2017","logP":0.3729,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.44,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.697,"logWSol.Reference":"EPA-CCD-OPERA","MP":131,"MP.Reference":"EPA-CCD-OPERA","MW":331.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.86","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.37","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat|Dog","Dog.Foral":0.944,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.05,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.89,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.7,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.65","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.87,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Foral":0.724,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.86","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.89,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"76963-41-2"}
{"Compound":"Nk 611","CAS":"105760-98-3","CAS.Checksum":true,"DTXSID":"DTXSID90873361","Formula":"C31H38ClNO12","All.Compound.Names":"Nk 611|Dtxsid90873361|105760-98-3","logHenry":-11.89,"logHenry.Reference":"OPERA29","logP":1.93,"logP.Reference":"OPERA29","logWSol":-4.15,"logWSol.Reference":"OPERA29","MP":234,"MP.Reference":"OPERA29","MW":652.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.013","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"105760-98-3"}
{"Compound":"Nomifensine","CAS":"24526-64-5","CAS.Checksum":true,"DTXSID":"DTXSID0023377","Formula":"C16H18N2","All.Compound.Names":"Nomifensine|24526-64-5|Dtxsid0023377","logHenry":-7.026,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.953,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.572,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.061,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.1,"MP.Reference":"EPA-CCD-OPERA","MW":238.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.4834,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.46,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.59,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.27,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.4","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"24526-64-5"}
{"Compound":"Nortriptyline","CAS":"72-69-5","CAS.Checksum":true,"DTXSID":"DTXSID9023384","Formula":"C19H21N","All.Compound.Names":"Nortriptyline|72-69-5|Dtxsid9023384","logHenry":-7.076,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.509,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.521,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.005,"logWSol.Reference":"EPA-CCD-OPERA","MP":115.3,"MP.Reference":"EPA-CCD-OPERA","MW":263.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9.865e-06","Human.Clint.Reference":"Paixao 2012","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.89,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.57,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.73,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.12","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.5,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"72-69-5"}
{"Compound":"Octreotide","CAS":"83150-76-9","CAS.Checksum":true,"DTXSID":"DTXSID0048682","Formula":"C49H66N10O10S2","All.Compound.Names":"Octreotide|83150-76-9|Dtxsid0048682","logHenry":-11.59,"logHenry.Reference":"OPERA29","logP":0.63,"logP.Reference":"OPERA29","logWSol":-4.55,"logWSol.Reference":"OPERA29","MP":306,"MP.Reference":"OPERA29","MW":1019,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.02,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.35","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"83150-76-9"}
{"Compound":"Ofloxacin","CAS":"82419-36-1","CAS.Checksum":true,"DTXSID":"DTXSID3041085","Formula":"C18H20FN3O4","All.Compound.Names":"Ofloxacin|82419-36-1|Dtxsid3041085","logHenry":-8.937,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3878,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.81,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.11,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.8,"MP.Reference":"EPA-CCD-OPERA","MW":361.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.2","pKa_Accept.Reference":"Pearce 2017","pKa_Donor":"1.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"21.4,9.49,48.2","Human.Caco2.Pab.Reference":"Lanevskij","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.04,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.97,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Varma 2010","Human.Funbound.plasma":"0.75","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Foral":0.778,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.77","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.8,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"82419-36-1"}
{"Compound":"Oleandomycin","CAS":"3922-90-5","CAS.Checksum":true,"DTXSID":"DTXSID4023389","Formula":"C35H61NO12","All.Compound.Names":"Oleandomycin|Dtxsid4023389|3922-90-5","logHenry":-8.166,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.693,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.83,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.341,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.4,"MP.Reference":"EPA-CCD-OPERA","MW":687.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.4","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"3922-90-5"}
{"Compound":"Olodaterol","CAS":"868049-49-4","CAS.Checksum":true,"DTXSID":"DTXSID601024792","Formula":"C21H26N2O5","All.Compound.Names":"Olodaterol|Dtxsid601024792|868049-49-4","logHenry":-9.73,"logHenry.Reference":"OPERA29","logP":2.23,"logP.Reference":"OPERA29","logWSol":-4.48,"logWSol.Reference":"OPERA29","MP":193,"MP.Reference":"OPERA29","MW":386.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.35,0.0689,1.78","Human.Caco2.Pab.Reference":"ChEMBL","Human.Clint":"6","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.4","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"868049-49-4"}
{"Compound":"Olsalazine","CAS":"15722-48-2","CAS.Checksum":true,"DTXSID":"DTXSID8023391","Formula":"C14H10N2O6","All.Compound.Names":"Olsalazine|15722-48-2|Dtxsid8023391","logHenry":-9.412,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.547,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.839,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.562,"logWSol.Reference":"EPA-CCD-OPERA","MP":202,"MP.Reference":"EPA-CCD-OPERA","MW":302.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.11,0.0216,0.556","Human.Caco2.Pab.Reference":"Lanevskij","Human.Fabs":0.2,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.96,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.02,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"15722-48-2"}
{"Compound":"Ombitasvir","CAS":"1258226-87-7","CAS.Checksum":true,"DTXSID":"DTXSID201027920","Formula":"C50H67N7O8","All.Compound.Names":"Ombitasvir|1258226-87-7","logHenry":-12.85,"logHenry.Reference":"OPERA29","logP":5.36,"logP.Reference":"OPERA29","logWSol":-6.85,"logWSol.Reference":"OPERA29","MP":202,"MP.Reference":"OPERA29","MW":894.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.001","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1258226-87-7"}
{"Compound":"Or-1896","CAS":"220246-81-1","CAS.Checksum":true,"DTXSID":"DTXSID601031294","Formula":"C13H15N3O2","All.Compound.Names":"Or-1896|220246-81-1","logHenry":-7.43,"logHenry.Reference":"OPERA29","logP":0.02,"logP.Reference":"OPERA29","logWSol":-2.41,"logWSol.Reference":"OPERA29","MP":188,"MP.Reference":"OPERA29","MW":245.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.4","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"220246-81-1"}
{"Compound":"Oritavancin","CAS":"171099-57-3","CAS.Checksum":true,"DTXSID":"DTXSID20897570","Formula":"C86H97Cl3N10O26","All.Compound.Names":"Oritavancin","MW":1793,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.13","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"171099-57-3"}
{"Compound":"Ornidazole","CAS":"16773-42-5","CAS.Checksum":true,"DTXSID":"DTXSID4045420","Formula":"C7H10ClN3O3","All.Compound.Names":"Ornidazole|Dtxsid4045420|16773-42-5","logHenry":-7.641,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5991,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.649,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.655,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.6,"MP.Reference":"EPA-CCD-OPERA","MW":219.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.88","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"16773-42-5"}
{"Compound":"Oseltamivir acid","CAS":"187227-45-8","CAS.Checksum":true,"DTXSID":"DTXSID50171996","Formula":"C14H24N2O4","All.Compound.Names":"Oseltamivir acid|187227-45-8|Dtxsid50171996","logHenry":-10.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.776,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.01,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.311,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.9,"MP.Reference":"EPA-CCD-OPERA","MW":284.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Mouse|Rat|Dog","Dog.Foral":0.73,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.8,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.79,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.97","Human.Funbound.plasma.Reference":"Lombardo 2018","Mouse.Foral":0.3,"Mouse.Foral.Reference":"Musther 2014","Rat.Foral":0.35,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"187227-45-8"}
{"Compound":"Oxacillin","CAS":"66-79-5","CAS.Checksum":true,"DTXSID":"DTXSID8023397","Formula":"C19H19N3O5S","All.Compound.Names":"Oxacillin|66-79-5|Dtxsid8023397","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.38,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.23,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.345,"logWSol.Reference":"EPA-CCD-OPERA","MP":188,"MP.Reference":"EPA-CCD-OPERA","MW":401.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.33,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.07","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"66-79-5"}
{"Compound":"Oxaliplatin","CAS":"61825-94-3","CAS.Checksum":true,"DTXSID":"DTXSID0036760","Formula":"C8H12N2O4Pt","All.Compound.Names":"Oxaliplatin","MW":395.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.13","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"61825-94-3"}
{"Compound":"Oxprenolol","CAS":"6452-71-7","CAS.Checksum":true,"DTXSID":"DTXSID1043835","Formula":"C15H23NO3","All.Compound.Names":"Oxprenolol|6452-71-7|Dtxsid1043835","logHenry":-8.216,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.1,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.279,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.982,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.9,"MP.Reference":"EPA-CCD-OPERA","MW":265.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.283","Human.Clint.Reference":"Wood 2017","Human.Foral":0.44,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.19","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"6452-71-7"}
{"Compound":"Oxybutynin","CAS":"5633-20-5","CAS.Checksum":true,"DTXSID":"DTXSID0023406","Formula":"C22H31NO3","All.Compound.Names":"Oxybutynin|5633-20-5|Dtxsid0023406","logHenry":-7.653,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.084,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.866,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.835,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.6,"MP.Reference":"EPA-CCD-OPERA","MW":357.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.75","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.53","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.06,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.0034","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"5633-20-5"}
{"Compound":"Oxycodone","CAS":"76-42-6","CAS.Checksum":true,"DTXSID":"DTXSID5023407","Formula":"C18H21NO4","All.Compound.Names":"Oxycodone|76-42-6|Dtxsid5023407","logHenry":-10.45,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.239,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.78,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.231,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.9,"MP.Reference":"EPA-CCD-OPERA","MW":315.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.2","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.57","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.82,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.55","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.03,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"76-42-6"}
{"Compound":"Paclitaxel","CAS":"33069-62-4","CAS.Checksum":true,"DTXSID":"DTXSID9023413","Formula":"C47H51NO14","All.Compound.Names":"Paclitaxel|33069-62-4|Dtxsid9023413","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.006,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.569,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.813,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.6,"MP.Reference":"EPA-CCD-OPERA","MW":853.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"33.5,14.9,75.4","Human.Caco2.Pab.Reference":"ChEMBL","Human.Foral":0.065,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.12","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"33069-62-4"}
{"Compound":"Paeoniflorin","CAS":"23180-57-6","CAS.Checksum":true,"DTXSID":"DTXSID2042648","Formula":"C23H28O11","All.Compound.Names":"Paeoniflorin|Dtxsid2042648|23180-57-6","logHenry":-10.86,"logHenry.Reference":"OPERA29","logP":0.16,"logP.Reference":"OPERA29","logWSol":-1.21,"logWSol.Reference":"OPERA29","MP":199,"MP.Reference":"OPERA29","MW":480.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.77","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"23180-57-6"}
{"Compound":"Paliperidone","CAS":"144598-75-4","CAS.Checksum":true,"DTXSID":"DTXSID7049059","Formula":"C23H27FN4O3","All.Compound.Names":"Paliperidone|144598-75-4|Dtxsid7049059","logHenry":-7.697,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.75,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.517,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.552,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.1,"MP.Reference":"EPA-CCD-OPERA","MW":426.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.28,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.24","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"144598-75-4"}
{"Compound":"Palonosetron","CAS":"135729-56-5","CAS.Checksum":true,"DTXSID":"DTXSID5048342","Formula":"C19H24N2O","All.Compound.Names":"Palonosetron|135729-56-5","logHenry":-7.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.968,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.404,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.614,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.7,"MP.Reference":"EPA-CCD-OPERA","MW":296.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.97,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.38","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"135729-61-2"}
{"Compound":"Pamidronic acid (pamidronate)","CAS":"40391-99-9","CAS.Checksum":true,"DTXSID":"DTXSID4023414","Formula":"C3H11NO7P2","All.Compound.Names":"Pamidronic acid (pamidronate)|Pamidronic acid|40391-99-9|Dtxsid4023414","logHenry":-8.636,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.349,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.86,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.08628,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.4,"MP.Reference":"EPA-CCD-OPERA","MW":235.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.86","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"4.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.7","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"40391-99-9"}
{"Compound":"Pancuronium","CAS":"15500-66-0","CAS.Checksum":true,"DTXSID":"DTXSID9023415","Formula":"C35H60Br2N2O4","All.Compound.Names":"Pancuronium|Pancuronium bromide|Dtxsid9023415|15500-66-0","logHenry":-4.95,"logHenry.Reference":"OPERA29","logP":4.53,"logP.Reference":"OPERA29","logWSol":-6.8,"logWSol.Reference":"OPERA29","MP":215,"MP.Reference":"OPERA29","MW":732.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.78","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.09","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"15500-66-0"}
{"Compound":"Panobinostat","CAS":"404950-80-7","CAS.Checksum":true,"DTXSID":"DTXSID40193506","Formula":"C21H23N3O2","All.Compound.Names":"Panobinostat|Dtxsid40193506|404950-80-7","logHenry":-8.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.493,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.942,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.847,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.3,"MP.Reference":"EPA-CCD-OPERA","MW":349.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"404950-80-7"}
{"Compound":"Pantoprazole","CAS":"102625-70-7","CAS.Checksum":true,"DTXSID":"DTXSID4023416","Formula":"C16H15F2N3O4S","All.Compound.Names":"Pantoprazole|102625-70-7|Dtxsid4023416","logHenry":-9.273,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.449,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.86,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.986,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.7,"MP.Reference":"EPA-CCD-OPERA","MW":383.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.36","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.54","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"8","Human.Clint.Reference":"Williamson 2020","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.85,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.9,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.77,"Human.Foral.Reference":"Varma 2010","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"102625-70-7"}
{"Compound":"Papaverine","CAS":"58-74-2","CAS.Checksum":true,"DTXSID":"DTXSID4023418","Formula":"C20H21NO4","All.Compound.Names":"Papaverine|58-74-2|Dtxsid4023418","logHenry":-5.164,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.951,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.57,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.872,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.3,"MP.Reference":"EPA-CCD-OPERA","MW":339.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"35","Human.Clint.Reference":"Williamson 2020","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.54,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.52,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.28,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.073","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"58-74-2"}
{"Compound":"Paricalcitol","CAS":"131918-61-1","CAS.Checksum":true,"DTXSID":"DTXSID4048640","Formula":"C27H44O3","All.Compound.Names":"Paricalcitol|131918-61-1|Dtxsid4048640","logHenry":-7.905,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.606,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.753,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.859,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.1,"MP.Reference":"EPA-CCD-OPERA","MW":416.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.86,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.04,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.96,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.72,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.0016","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"131918-61-1"}
{"Compound":"Paritaprevir","CAS":"1216941-48-8","CAS.Checksum":true,"DTXSID":"DTXSID601027922","Formula":"C40H43N7O7S","All.Compound.Names":"Paritaprevir|1216941-48-8","logHenry":-12.87,"logHenry.Reference":"OPERA29","logP":4.42,"logP.Reference":"OPERA29","logWSol":-3.94,"logWSol.Reference":"OPERA29","MP":296,"MP.Reference":"OPERA29","MW":765.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.022","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1216941-48-8"}
{"Compound":"Paroxetine","CAS":"61869-08-7","CAS.Checksum":true,"DTXSID":"DTXSID3023425","Formula":"C19H20FNO3","All.Compound.Names":"Paroxetine|(-)-paroxetine|61869-08-7|Dtxsid3023425","logHenry":-6.368,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.365,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.436,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.081,"logWSol.Reference":"EPA-CCD-OPERA","MP":135,"MP.Reference":"EPA-CCD-OPERA","MW":329.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.06","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"61869-08-7"}
{"Compound":"Patupilone","CAS":"152044-54-7","CAS.Checksum":true,"DTXSID":"DTXSID4046862","Formula":"C27H41NO6S","All.Compound.Names":"Patupilone|Epothilone b|Dtxsid4046862|152044-54-7","logHenry":-10.85,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.786,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.88,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.629,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.1,"MP.Reference":"EPA-CCD-OPERA","MW":507.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.76","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.22","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"152044-54-7"}
{"Compound":"Pazopanib","CAS":"444731-52-6","CAS.Checksum":true,"DTXSID":"DTXSID8048733","Formula":"C21H23N7O2S","All.Compound.Names":"Pazopanib|Dtxsid8048733|444731-52-6","logHenry":-7.849,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.647,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.989,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.187,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.2,"MP.Reference":"EPA-CCD-OPERA","MW":437.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"444731-52-6"}
{"Compound":"Pazufloxacin","CAS":"127045-41-4","CAS.Checksum":true,"DTXSID":"DTXSID5046697","Formula":"C16H15FN2O4","All.Compound.Names":"Pazufloxacin|Dtxsid5046697|127045-41-4","logHenry":-9.674,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.566,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.775,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.023,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.3,"MP.Reference":"EPA-CCD-OPERA","MW":318.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.38","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.79","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"127045-41-4"}
{"Compound":"Peldesine","CAS":"133432-71-0","CAS.Checksum":true,"DTXSID":"DTXSID10158107","Formula":"C12H11N5O","All.Compound.Names":"Peldesine|Dtxsid10158107|133432-71-0","logHenry":-9.564,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7648,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.487,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.28,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.2,"MP.Reference":"EPA-CCD-OPERA","MW":241.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.86","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"133432-71-0"}
{"Compound":"Pelrinone","CAS":"94386-65-9","CAS.Checksum":true,"DTXSID":"DTXSID20241458","Formula":"C12H11N5O","All.Compound.Names":"Pelrinone|Dtxsid20241458|94386-65-9","logHenry":-8.853,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4634,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.221,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.1,"MP.Reference":"EPA-CCD-OPERA","MW":241.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"94386-65-9"}
{"Compound":"Pemetrexed","CAS":"137281-23-3","CAS.Checksum":true,"DTXSID":"DTXSID2048329","Formula":"C20H21N5O6","All.Compound.Names":"Pemetrexed|Dtxsid2048329|137281-23-3","logHenry":-10.85,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5193,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.06,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.568,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.8,"MP.Reference":"EPA-CCD-OPERA","MW":427.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.19","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"137281-23-3"}
{"Compound":"Penciclovir","CAS":"39809-25-1","CAS.Checksum":true,"DTXSID":"DTXSID9046491","Formula":"C10H15N5O3","All.Compound.Names":"Penciclovir|39809-25-1|Dtxsid9046491","logHenry":-9.422,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8577,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.25,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.083,"logWSol.Reference":"EPA-CCD-OPERA","MP":221.1,"MP.Reference":"EPA-CCD-OPERA","MW":253.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.03","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.54,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.93,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.77,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.84","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"39809-25-1"}
{"Compound":"Penicillamine, d-","CAS":"52-67-5","CAS.Checksum":true,"DTXSID":"DTXSID6037069","Formula":"C5H11NO2S","All.Compound.Names":"Penicillamine, d-|D-penicillamine|52-67-5|Dtxsid6037069","logHenry":-7.929,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.777,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.218,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1284,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.5,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.12","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"52-67-5"}
{"Compound":"Pentamidine","CAS":"100-33-4","CAS.Checksum":true,"DTXSID":"DTXSID7023431","Formula":"C19H24N4O2","All.Compound.Names":"Pentamidine|100-33-4|Dtxsid7023431","logHenry":-11.2,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.951,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.453,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.259,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.1,"MP.Reference":"EPA-CCD-OPERA","MW":340.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.78","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.09","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"100-33-4"}
{"Compound":"Pentostatin","CAS":"53910-25-1","CAS.Checksum":true,"DTXSID":"DTXSID2023436","Formula":"C11H16N4O4","All.Compound.Names":"Pentostatin|Dtxsid2023436|53910-25-1","logHenry":-8.807,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.403,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.808,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.32,"logWSol.Reference":"EPA-CCD-OPERA","MP":220,"MP.Reference":"EPA-CCD-OPERA","MW":268.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.96","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"53910-25-1"}
{"Compound":"Pentoxifylline","CAS":"6493-05-6","CAS.Checksum":true,"DTXSID":"DTXSID7023437","Formula":"C13H18N4O3","All.Compound.Names":"Pentoxifylline|3,7-dihydro-3,7-dimethyl-1-(5-oxohexyl)-1h-purine-2,6-dione|6493-05-6|Dtxsid7023437","logHenry":-8.48,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2913,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.41,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5609,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.48,"MP.Reference":"EPA-CCD-OPERA","MW":278.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.25,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.51","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"6493-05-6"}
{"Compound":"Perampanel","CAS":"380917-97-5","CAS.Checksum":true,"DTXSID":"DTXSID80191501","Formula":"C23H15N3O","All.Compound.Names":"Perampanel|Dtxsid80191501|380917-97-5","logHenry":-8.742,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.975,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.709,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.022,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.9,"MP.Reference":"EPA-CCD-OPERA","MW":349.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"380917-97-5"}
{"Compound":"Perindoprilat","CAS":"95153-31-4","CAS.Checksum":true,"DTXSID":"DTXSID90869249","Formula":"C17H28N2O5","All.Compound.Names":"Perindoprilat|95153-31-4|Dtxsid90869249","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.164,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.43,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.74,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.2,"MP.Reference":"EPA-CCD-OPERA","MW":340.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.27","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.25,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.16","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"95153-31-4"}
{"Compound":"Perphenazine","CAS":"58-39-9","CAS.Checksum":true,"DTXSID":"DTXSID1023441","Formula":"C21H26ClN3OS","All.Compound.Names":"Perphenazine|58-39-9|Dtxsid1023441","logHenry":-10.31,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.199,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.087,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.195,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.06,"MP.Reference":"EPA-CCD-OPERA","MW":404,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.4,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.07","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"58-39-9"}
{"Compound":"Pf-4776548","CAS":"1515856-61-7","CAS.Checksum":true,"DTXSID":"DTXSID001031296","Formula":"C18H16FN3O3","All.Compound.Names":"Pf-4776548|1515856-61-7","logHenry":-9.15,"logHenry.Reference":"OPERA29","logP":2.22,"logP.Reference":"OPERA29","logWSol":-4.85,"logWSol.Reference":"OPERA29","MP":214,"MP.Reference":"OPERA29","MW":341.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.08","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1515856-61-7"}
{"Compound":"Phencyclidine","CAS":"77-10-1","CAS.Checksum":true,"DTXSID":"DTXSID6023446","Formula":"C17H25N","All.Compound.Names":"Phencyclidine|77-10-1|Dtxsid6023446","logHenry":-4.509,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.693,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.935,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.411,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.62,"MP.Reference":"EPA-CCD-OPERA","MW":243.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.49","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.98","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.93,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.81,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.72,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.35","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Funbound.plasma":"0.47","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"77-10-1"}
{"Compound":"Phenethicillin","CAS":"147-55-7","CAS.Checksum":true,"DTXSID":"DTXSID6023448","Formula":"C17H20N2O5S","All.Compound.Names":"Phenethicillin|Dtxsid6023448|147-55-7","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.201,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.311,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.607,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.4,"MP.Reference":"EPA-CCD-OPERA","MW":364.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.25","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"147-55-7"}
{"Compound":"Phenoxymethylpenicillin","CAS":"87-08-1","CAS.Checksum":true,"DTXSID":"DTXSID3023429","Formula":"C16H18N2O5S","All.Compound.Names":"Phenoxymethylpenicillin|Penicillin v|87-08-1|Dtxsid3023429","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.089,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.404,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.62,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.8,"MP.Reference":"EPA-CCD-OPERA","MW":350.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Mouse|Rat|Dog|Monkey","Dog.Foral":0.11,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.6,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.03,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.78,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.48,"Human.Foral.Reference":"Varma 2010","Human.Funbound.plasma":"0.45","Human.Funbound.plasma.Reference":"Lombardo 2018","Monkey.Foral":0.055,"Monkey.Foral.Reference":"Musther 2014","Mouse.Foral":0.29,"Mouse.Foral.Reference":"Musther 2014","Rat.Foral":0.116,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"87-08-1"}
{"Compound":"Phenprocoumon","CAS":"435-97-2","CAS.Checksum":true,"DTXSID":"DTXSID5023459","Formula":"C18H16O3","All.Compound.Names":"Phenprocoumon|Dtxsid5023459","logHenry":-8.199,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.617,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.021,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.314,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.5,"MP.Reference":"EPA-CCD-OPERA","MW":280.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.57","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"435-97-2"}
{"Compound":"Physostigmine","CAS":"57-47-6","CAS.Checksum":true,"DTXSID":"DTXSID3023471","Formula":"C15H21N3O2","All.Compound.Names":"Physostigmine|57-47-6|Dtxsid3023471","logHenry":-8.389,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.58,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.717,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.705,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.6,"MP.Reference":"EPA-CCD-OPERA","MW":275.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"12.15","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.64","Human.Clint.Reference":"Tonnelier 2012","Human.Fabs":0.05,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.26,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.76,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.1,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.64","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.02,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"57-47-6"}
{"Compound":"Picumast","CAS":"39577-19-0","CAS.Checksum":true,"DTXSID":"DTXSID20192693","Formula":"C25H29ClN2O3","All.Compound.Names":"Picumast|Dtxsid20192693|39577-19-0","logHenry":-7.333,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.35,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.5,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.5,"MP.Reference":"EPA-CCD-OPERA","MW":441,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"12.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"39577-19-0"}
{"Compound":"Pidotimod","CAS":"121808-62-6","CAS.Checksum":true,"DTXSID":"DTXSID0046199","Formula":"C9H12N2O4S","All.Compound.Names":"Pidotimod|Dtxsid0046199|121808-62-6","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4018,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.423,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.396,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.3,"MP.Reference":"EPA-CCD-OPERA","MW":244.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.96","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"121808-62-6"}
{"Compound":"Pimobendan","CAS":"74150-27-9","CAS.Checksum":true,"DTXSID":"DTXSID8048280","Formula":"C19H18N4O2","All.Compound.Names":"Pimobendan|Dtxsid8048280|74150-27-9","logHenry":-9.139,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.06,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.327,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.614,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.9,"MP.Reference":"EPA-CCD-OPERA","MW":334.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.05","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.17,11.91","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.024","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"74150-27-9"}
{"Compound":"Pinacidil","CAS":"60560-33-0","CAS.Checksum":true,"DTXSID":"DTXSID7048249","Formula":"C13H19N5","All.Compound.Names":"Pinacidil|60560-33-0|Dtxsid7048249","logHenry":-9.269,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.733,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.453,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.591,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.14,"MP.Reference":"EPA-CCD-OPERA","MW":245.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.57,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.6","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"60560-33-0"}
{"Compound":"Pipecuronium","CAS":"68399-58-6","CAS.Checksum":true,"DTXSID":"DTXSID20860643","Formula":"C35H62N4O4","All.Compound.Names":"Pipecuronium|Pipercuronium|Dtxsid20860643|68399-58-6","logHenry":-6.593,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.062,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.615,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.367,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.5,"MP.Reference":"EPA-CCD-OPERA","MW":602.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.98","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"68399-58-6"}
{"Compound":"Piperacillin","CAS":"61477-96-1","CAS.Checksum":true,"DTXSID":"DTXSID2023482","Formula":"C23H27N5O7S","All.Compound.Names":"Piperacillin|61477-96-1|Dtxsid2023482","logHenry":-10.85,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5005,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.033,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.699,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.9,"MP.Reference":"EPA-CCD-OPERA","MW":517.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.21","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.0325,0.0064,0.165","Human.Caco2.Pab.Reference":"ChEMBL","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.5","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"61477-96-1"}
{"Compound":"Piretanide","CAS":"55837-27-9","CAS.Checksum":true,"DTXSID":"DTXSID2023488","Formula":"C17H18N2O5S","All.Compound.Names":"Piretanide|55837-27-9|Dtxsid2023488","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.915,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.495,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.998,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.6,"MP.Reference":"EPA-CCD-OPERA","MW":362.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.92,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.058","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"55837-27-9"}
{"Compound":"Piritramide","CAS":"302-41-0","CAS.Checksum":true,"DTXSID":"DTXSID00184293","Formula":"C27H34N4O","All.Compound.Names":"Piritramide|Dtxsid00184293|302-41-0","logHenry":-7.376,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.91,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.303,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.62,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.5,"MP.Reference":"EPA-CCD-OPERA","MW":430.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.061","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"302-41-0"}
{"Compound":"Pirmenol","CAS":"68252-19-7","CAS.Checksum":true,"DTXSID":"DTXSID1043839","Formula":"C22H30N2O","All.Compound.Names":"Pirmenol|68252-19-7|Dtxsid1043839","logHenry":-6.482,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.078,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.515,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.89,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.3,"MP.Reference":"EPA-CCD-OPERA","MW":338.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.74","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.78","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.96,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.95,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.83,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.13","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"68252-19-7"}
{"Compound":"Pitavastatin","CAS":"147511-69-1","CAS.Checksum":true,"DTXSID":"DTXSID1048384","Formula":"C25H24FNO4","All.Compound.Names":"Pitavastatin|Dtxsid1048384|147511-69-1","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.306,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.105,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.473,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.9,"MP.Reference":"EPA-CCD-OPERA","MW":421.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"14.5","Human.Clint.Reference":"Dawson 2021","Human.Funbound.plasma":"0.005","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"147511-69-1"}
{"Compound":"Plazomicin","CAS":"1154757-24-0","CAS.Checksum":true,"DTXSID":"DTXSID001031303","Formula":"C25H48N6O10","All.Compound.Names":"Plazomicin|1154757-24-0","logHenry":-9.89,"logHenry.Reference":"OPERA29","logP":-2.48,"logP.Reference":"OPERA29","logWSol":-1.2,"logWSol.Reference":"OPERA29","MP":186,"MP.Reference":"OPERA29","MW":592.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.84","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1154757-24-0"}
{"Compound":"Posaconazole","CAS":"171228-49-2","CAS.Checksum":true,"DTXSID":"DTXSID6049066","Formula":"C37H42F2N8O4","All.Compound.Names":"Posaconazole|171228-49-2|Dtxsid6049066","logHenry":-7.877,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.358,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.296,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.176,"logWSol.Reference":"EPA-CCD-OPERA","MP":205,"MP.Reference":"EPA-CCD-OPERA","MW":700.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.96","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.96,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.013","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"171228-49-2"}
{"Compound":"Practolol","CAS":"6673-35-4","CAS.Checksum":true,"DTXSID":"DTXSID0021179","Formula":"C14H22N2O3","All.Compound.Names":"Practolol|6673-35-4|Dtxsid0021179","logHenry":-9.513,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7933,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.433,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.877,"logWSol.Reference":"EPA-CCD-OPERA","MP":135,"MP.Reference":"EPA-CCD-OPERA","MW":266.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.62","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.14,0.504,2.56","Human.Caco2.Pab.Reference":"Lanevskij","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.96,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.93","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"6673-35-4"}
{"Compound":"Pralatrexate (r)","CAS":"1320211-70-8","CAS.Checksum":true,"DTXSID":"DTXSID001031315","Formula":"C23H23N7O5","All.Compound.Names":"Pralatrexate (r)|Pralatrexate, (r)-","MW":477.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.33","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1320211-70-8"}
{"Compound":"Pralatrexate (s)","CAS":"1320211-69-5","CAS.Checksum":true,"DTXSID":"DTXSID601031325","Formula":"C23H23N7O5","All.Compound.Names":"Pralatrexate (s)|Pralatrexate, (s)-","MW":477.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.33","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1320211-69-5"}
{"Compound":"Pralidoxime","CAS":"51-15-0","CAS.Checksum":true,"DTXSID":"DTXSID1023495","Formula":"C7H9ClN2O","All.Compound.Names":"Pralidoxime|Pralidoxime chloride|Dtxsid1023495|51-15-0","logHenry":-6.977,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7678,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.777,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.428,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.4,"MP.Reference":"EPA-CCD-OPERA","MW":172.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"51-15-0"}
{"Compound":"Pramipexole","CAS":"104632-26-0","CAS.Checksum":true,"DTXSID":"DTXSID6023496","Formula":"C10H17N3S","All.Compound.Names":"Pramipexole|104632-26-0|Dtxsid6023496","logHenry":-9.093,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.036,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.151,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.12,"logWSol.Reference":"EPA-CCD-OPERA","MP":172,"MP.Reference":"EPA-CCD-OPERA","MW":211.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.93,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.85","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"104632-26-0"}
{"Compound":"Pramlintide","CAS":"151126-32-8","CAS.Checksum":true,"DTXSID":"DTXSID801027623","All.Compound.Names":"Pramlintide","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.4","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"151126-32-8"}
{"Compound":"Pravastatin","CAS":"81093-37-0","CAS.Checksum":true,"DTXSID":"DTXSID6023498","Formula":"C23H36O7","All.Compound.Names":"Pravastatin|Pravastatin (acid)|81093-37-0|Dtxsid6023498","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.18,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.249,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.606,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.4,"MP.Reference":"EPA-CCD-OPERA","MW":424.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.323,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.31,1.47,7.46","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Human.Fabs":0.34,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.8,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.67,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.51,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.5","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.123,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"81093-37-0"}
{"Compound":"Prilocaine","CAS":"721-50-6","CAS.Checksum":true,"DTXSID":"DTXSID7031955","Formula":"C13H20N2O","All.Compound.Names":"Prilocaine|Dtxsid7031955|721-50-6","logHenry":-9.702,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.111,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.282,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.178,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.66,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.58","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.51","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.72","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"721-50-6"}
{"Compound":"Probenecid","CAS":"57-66-9","CAS.Checksum":true,"DTXSID":"DTXSID9021188","Formula":"C13H19NO4S","All.Compound.Names":"Probenecid|57-66-9|Dtxsid9021188","logHenry":-9.539,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.208,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.705,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.701,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.9,"MP.Reference":"EPA-CCD-OPERA","MW":285.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.13","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"57-66-9"}
{"Compound":"Propiverine","CAS":"60569-19-9","CAS.Checksum":true,"DTXSID":"DTXSID5048265","Formula":"C23H29NO3","All.Compound.Names":"Propiverine|Dtxsid5048265|60569-19-9","logHenry":-6.248,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.458,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.123,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.946,"logWSol.Reference":"EPA-CCD-OPERA","MP":88.67,"MP.Reference":"EPA-CCD-OPERA","MW":367.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"28","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"60569-19-9"}
{"Compound":"Propoxyphene","CAS":"469-62-5","CAS.Checksum":true,"DTXSID":"DTXSID1023524","Formula":"C22H29NO2","All.Compound.Names":"Propoxyphene|Dextropropoxyphene|469-62-5|Dtxsid1023524","logHenry":-7.414,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.179,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.399,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.985,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.89,"MP.Reference":"EPA-CCD-OPERA","MW":339.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.253,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"11","Human.Clint.Reference":"Tonnelier 2012","Human.Foral":0.18,"Human.Foral.Reference":"Musther 2014","Human.Funbound.plasma":"0.24","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"469-62-5"}
{"Compound":"Proquazone","CAS":"22760-18-5","CAS.Checksum":true,"DTXSID":"DTXSID4021210","Formula":"C18H18N2O","All.Compound.Names":"Proquazone|22760-18-5|Dtxsid4021210","logHenry":-7.039,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.242,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.411,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.713,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.3,"MP.Reference":"EPA-CCD-OPERA","MW":278.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.07,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"22760-18-5"}
{"Compound":"Prucalopride","CAS":"179474-81-8","CAS.Checksum":true,"DTXSID":"DTXSID5057670","Formula":"C18H26ClN3O3","All.Compound.Names":"Prucalopride|Dtxsid5057670|179474-81-8","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.653,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.861,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.93,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.7,"MP.Reference":"EPA-CCD-OPERA","MW":367.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.7","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Funbound.plasma":"0.71","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"179474-81-8"}
{"Compound":"Quercetin","CAS":"117-39-5","CAS.Checksum":true,"DTXSID":"DTXSID4021218","Formula":"C15H10O7","All.Compound.Names":"Quercetin|Dtxsid4021218|117-39-5","logHenry":-10.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.24,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.166,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.653,"logWSol.Reference":"EPA-CCD-OPERA","MP":316.4,"MP.Reference":"EPA-CCD-OPERA","MW":302.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"5.75,2.55,13","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"75.2,43.1,96.7,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0176,4.06e-13,0.0381","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"117-39-5"}
{"Compound":"Quinacrine","CAS":"83-89-6","CAS.Checksum":true,"DTXSID":"DTXSID7022627","Formula":"C23H30ClN3O","All.Compound.Names":"Quinacrine|Atabrine|Dtxsid7022627|83-89-6","logHenry":-8.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.258,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.022,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.394,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.2,"MP.Reference":"EPA-CCD-OPERA","MW":400,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.13","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"83-89-6"}
{"Compound":"Quinaprilat","CAS":"82768-85-2","CAS.Checksum":true,"DTXSID":"DTXSID40868904","Formula":"C23H26N2O5","All.Compound.Names":"Quinaprilat|82768-85-2|Dtxsid40868904","logHenry":-10.94,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.621,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.748,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.722,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.5,"MP.Reference":"EPA-CCD-OPERA","MW":410.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.61,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.82,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.52,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.32","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"82768-85-2"}
{"Compound":"Quinine","CAS":"130-95-0","CAS.Checksum":true,"DTXSID":"DTXSID0044280","Formula":"C20H24N2O2","All.Compound.Names":"Quinine|130-95-0|Dtxsid0044280","logHenry":-8.574,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.439,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.181,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.009,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.9,"MP.Reference":"EPA-CCD-OPERA","MW":324.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.25","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.89","pKa_Donor.Reference":"Pearce 2017","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1","Human.Clint.Reference":"Williamson 2020","Human.Fabs":0.8,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.93,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.79,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.3","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.91,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Funbound.plasma":"0.25","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1.93,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"130-95-0"}
{"Compound":"Quinupristin","CAS":"120138-50-3","CAS.Checksum":true,"DTXSID":"DTXSID00873377","Formula":"C53H67N9O10S","All.Compound.Names":"Quinupristin|Dtxsid00873377|120138-50-3","logHenry":-12.86,"logHenry.Reference":"OPERA29","logP":1.85,"logP.Reference":"OPERA29","logWSol":-4.37,"logWSol.Reference":"OPERA29","MP":200,"MP.Reference":"OPERA29","MW":1022,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.34","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"120138-50-3"}
{"Compound":"Rabeprazole","CAS":"117976-89-3","CAS.Checksum":true,"DTXSID":"DTXSID3044122","Formula":"C18H21N3O3S","All.Compound.Names":"Rabeprazole|117976-89-3|Dtxsid3044122","logHenry":-6.515,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.576,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.686,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.439,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.8,"MP.Reference":"EPA-CCD-OPERA","MW":359.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.12","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.35","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Dog","Dog.Foral":0.2425,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.7,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.83,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.52,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.037","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"117976-89-3"}
{"Compound":"Raclopride","CAS":"84225-95-6","CAS.Checksum":true,"DTXSID":"DTXSID9045687","Formula":"C15H20Cl2N2O3","All.Compound.Names":"Raclopride|Dtxsid9045687|84225-95-6","logHenry":-9.242,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.764,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.543,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.932,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.2,"MP.Reference":"EPA-CCD-OPERA","MW":347.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.22","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"66,29.3,149","Human.Caco2.Pab.Reference":"ChEMBL","Human.Funbound.plasma":"0.06","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"84225-95-6"}
{"Compound":"Raloxifene","CAS":"84449-90-1","CAS.Checksum":true,"DTXSID":"DTXSID3023550","Formula":"C28H27NO4S","All.Compound.Names":"Raloxifene|84449-90-1|Dtxsid3023550","logHenry":-9.962,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.406,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.295,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.168,"logWSol.Reference":"EPA-CCD-OPERA","MP":238.9,"MP.Reference":"EPA-CCD-OPERA","MW":473.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.02,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"84449-90-1"}
{"Compound":"Raltitrexed","CAS":"112887-68-0","CAS.Checksum":true,"DTXSID":"DTXSID0046482","Formula":"C21H22N4O6S","All.Compound.Names":"Raltitrexed|112887-68-0|Dtxsid0046482","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.301,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.167,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.641,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.9,"MP.Reference":"EPA-CCD-OPERA","MW":458.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.15,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"112887-68-0"}
{"Compound":"Ramelteon","CAS":"196597-26-9","CAS.Checksum":true,"DTXSID":"DTXSID6045951","Formula":"C16H21NO2","All.Compound.Names":"Ramelteon|196597-26-9|Dtxsid6045951","logHenry":-8.82,"logHenry.Reference":"OPERA29","logP":2.4,"logP.Reference":"OPERA29","logWSol":-4.2,"logWSol.Reference":"OPERA29","MP":114,"MP.Reference":"OPERA29","MW":259.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"12","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.018,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.2","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"196597-26-9"}
{"Compound":"Ranolazine","CAS":"95635-55-5","CAS.Checksum":true,"DTXSID":"DTXSID3045196","Formula":"C24H33N3O4","All.Compound.Names":"Ranolazine|95635-55-5|Dtxsid3045196","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.116,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.509,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.495,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.4,"MP.Reference":"EPA-CCD-OPERA","MW":427.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.425,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.38","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"95635-55-5"}
{"Compound":"Reboxetine","CAS":"71620-89-8","CAS.Checksum":true,"DTXSID":"DTXSID1048257","Formula":"C19H23NO3","All.Compound.Names":"Reboxetine|71620-89-8|Dtxsid1048257","logHenry":-6.453,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.264,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.643,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.841,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.2,"MP.Reference":"EPA-CCD-OPERA","MW":313.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Mouse|Rat|Dog|Monkey","Dog.Foral":0.9,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1","Human.Clint.Reference":"Williamson 2020","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.98,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.97,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.94,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.019","Human.Funbound.plasma.Reference":"Lombardo 2018","Monkey.Foral":0.46,"Monkey.Foral.Reference":"Musther 2014","Mouse.Foral":0.21,"Mouse.Foral.Reference":"Musther 2014","Rat.Foral":0.05,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"71620-89-8"}
{"Compound":"Recainam","CAS":"74738-24-2","CAS.Checksum":true,"DTXSID":"DTXSID50868319","Formula":"C15H25N3O","All.Compound.Names":"Recainam|74738-24-2|Dtxsid50868319","logHenry":-9.845,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.68,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.569,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.873,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.4,"MP.Reference":"EPA-CCD-OPERA","MW":263.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.74","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog|Monkey","Dog.Foral":0.89,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.8,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.9,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.73,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.86","Human.Funbound.plasma.Reference":"Lombardo 2018","Monkey.Foral":0.97,"Monkey.Foral.Reference":"Musther 2014","Rat.Foral":0.51,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"74738-24-2"}
{"Compound":"Regadenoson","CAS":"313348-27-5","CAS.Checksum":true,"DTXSID":"DTXSID4057712","Formula":"C15H18N8O5","All.Compound.Names":"Regadenoson|Lexiscan|Dtxsid4057712|313348-27-5","logHenry":-10.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3882,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.889,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.186,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.9,"MP.Reference":"EPA-CCD-OPERA","MW":390.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.7","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"313348-27-5"}
{"Compound":"Remifentanil","CAS":"132875-61-7","CAS.Checksum":true,"DTXSID":"DTXSID00157826","Formula":"C20H28N2O5","All.Compound.Names":"Remifentanil|Dtxsid00157826|132875-61-7","logHenry":-9.018,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.318,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.41,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.61,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.6,"MP.Reference":"EPA-CCD-OPERA","MW":376.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.3","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"132875-61-7"}
{"Compound":"Remikiren","CAS":"126222-34-2","CAS.Checksum":true,"DTXSID":"DTXSID60155121","Formula":"C33H50N4O6S","All.Compound.Names":"Remikiren|126222-34-2|Dtxsid60155121","logHenry":-11.2,"logHenry.Reference":"OPERA29","logP":2.75,"logP.Reference":"OPERA29","logWSol":-4.47,"logWSol.Reference":"OPERA29","MP":221,"MP.Reference":"OPERA29","MW":630.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.05581","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"126222-34-2"}
{"Compound":"Remoxipride","CAS":"80125-14-0","CAS.Checksum":true,"DTXSID":"DTXSID6045668","Formula":"C16H23BrN2O3","All.Compound.Names":"Remoxipride|80125-14-0|Dtxsid6045668","logHenry":-8.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.101,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.492,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.781,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.2,"MP.Reference":"EPA-CCD-OPERA","MW":371.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.88","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.06","pKa_Donor.Reference":"Pearce 2017","All.Species":"Human|Rat|Mouse|Dog","Dog.Foral":0.94,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.95,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.95,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.16","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.7,"Human.Rblood2plasma.Reference":"Uchimura 2010","Mouse.Foral":0.08,"Mouse.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.74","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1.2,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"80125-14-0"}
{"Compound":"Repaglinide","CAS":"135062-02-1","CAS.Checksum":true,"DTXSID":"DTXSID3023552","Formula":"C27H36N2O4","All.Compound.Names":"Repaglinide|135062-02-1|Dtxsid3023552","logHenry":-10.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.016,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.649,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.445,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.9,"MP.Reference":"EPA-CCD-OPERA","MW":452.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.82","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"5.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.99,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.67,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.015","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Clint":"79.58","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.015","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"135062-02-1"}
{"Compound":"Ribavirin","CAS":"36791-04-5","CAS.Checksum":true,"DTXSID":"DTXSID8023557","Formula":"C8H12N4O5","All.Compound.Names":"Ribavirin|36791-04-5|Dtxsid8023557","logHenry":-9.985,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.85,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.23,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2387,"logWSol.Reference":"EPA-CCD-OPERA","MP":241.3,"MP.Reference":"EPA-CCD-OPERA","MW":244.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.49","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.88,12.56,13.88","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.182,0.0358,0.924","Human.Caco2.Pab.Reference":"Lanevskij","Human.Foral":0.6,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"36791-04-5"}
{"Compound":"Ridogrel","CAS":"110140-89-1","CAS.Checksum":true,"DTXSID":"DTXSID90872935","Formula":"C18H17F3N2O3","All.Compound.Names":"Ridogrel|Dtxsid90872935|110140-89-1","logHenry":-10.62,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.108,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.705,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.1,"MP.Reference":"EPA-CCD-OPERA","MW":366.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.54","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"-0.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.033","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.77,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Funbound.plasma":"0.05","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.8,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"110140-89-1"}
{"Compound":"Rifabutin","CAS":"72559-06-9","CAS.Checksum":true,"DTXSID":"DTXSID0033960","Formula":"C46H62N4O11","All.Compound.Names":"Rifabutin|Rifabutine|72559-06-9|Dtxsid0033960","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.4,"logMA.Reference":"Endo 2011","logP":4.5,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.068,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.822,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.9,"MP.Reference":"EPA-CCD-OPERA","MW":847,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.01","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.87,11.98,14.26","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.53,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.41,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.91,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.2,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.29","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.44,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"72559-06-9"}
{"Compound":"Rilmenidine","CAS":"54187-04-1","CAS.Checksum":true,"DTXSID":"DTXSID3045194","Formula":"C10H16N2O","All.Compound.Names":"Rilmenidine|Dtxsid3045194|54187-04-1","logHenry":-8.765,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6488,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.065,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2436,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.8,"MP.Reference":"EPA-CCD-OPERA","MW":180.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.25","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.9","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"54187-04-1"}
{"Compound":"Riluzole","CAS":"1744-22-5","CAS.Checksum":true,"DTXSID":"DTXSID3045192","Formula":"C8H5F3N2OS","All.Compound.Names":"Riluzole|6-(trifluoromethoxy)-2-benzothiazolamine|1744-22-5|Dtxsid3045192","logHenry":-8.093,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.014,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.628,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.905,"logWSol.Reference":"EPA-CCD-OPERA","MP":162,"MP.Reference":"EPA-CCD-OPERA","MW":234.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.71,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.04","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.7,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"1744-22-5"}
{"Compound":"Risedronic acid (risedronate)","CAS":"105462-24-6","CAS.Checksum":true,"DTXSID":"DTXSID2023563","Formula":"C7H11NO7P2","All.Compound.Names":"Risedronic acid (risedronate)|Risedronic acid|105462-24-6|Dtxsid2023563","logHenry":-8.646,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4102,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.888,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.03261,"logWSol.Reference":"EPA-CCD-OPERA","MP":229.9,"MP.Reference":"EPA-CCD-OPERA","MW":283.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.91","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"2.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.62,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.76","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.029,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"105462-24-6"}
{"Compound":"Risperidone","CAS":"106266-06-2","CAS.Checksum":true,"DTXSID":"DTXSID8045193","Formula":"C23H27FN4O2","All.Compound.Names":"Risperidone|106266-06-2|Dtxsid8045193","logHenry":-7.554,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.98,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.707,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.001,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.9,"MP.Reference":"EPA-CCD-OPERA","MW":410.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10.9","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.85,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.77,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.67,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Clint":"0","Rat.Clint.Reference":"Wood 2017","Rat.Foral":0.22,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.12","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.85,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"106266-06-2"}
{"Compound":"Ritanserin","CAS":"87051-43-2","CAS.Checksum":true,"DTXSID":"DTXSID9042594","Formula":"C27H25F2N3OS","All.Compound.Names":"Ritanserin|Dtxsid9042594|87051-43-2","logHenry":-7.588,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.478,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.524,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.1,"MP.Reference":"EPA-CCD-OPERA","MW":477.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.008","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.65,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Funbound.plasma":"0.02","Rat.Funbound.plasma.Reference":"Uchimura 2010","Rat.Rblood2plasma":0.74,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"87051-43-2"}
{"Compound":"Ritipenem","CAS":"84845-58-9","CAS.Checksum":true,"DTXSID":"DTXSID801005118","Formula":"C10H11N2NaO6S","All.Compound.Names":"Ritipenem|Sodium 6-(1-hydroxyethyl)-3-{[hydroxy(imino)methoxy]methyl}-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate|Dtxsid801005118|84845-58-9","logHenry":-10.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6046,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.994,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9712,"logWSol.Reference":"EPA-CCD-OPERA","MP":179,"MP.Reference":"EPA-CCD-OPERA","MW":310.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.72","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"84845-58-9"}
{"Compound":"Ritodrine","CAS":"26652-09-5","CAS.Checksum":true,"DTXSID":"DTXSID7048534","Formula":"C17H21NO3","All.Compound.Names":"Ritodrine|26652-09-5|Dtxsid7048534","logHenry":-10.21,"logHenry.Reference":"OPERA29","logP":2.4,"logP.Reference":"OPERA29","logWSol":-3.2,"logWSol.Reference":"OPERA29","MP":89,"MP.Reference":"OPERA29","MW":287.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.93","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.15,10.48;14.03","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.3,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.64","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"26652-09-5"}
{"Compound":"Rivaroxaban","CAS":"366789-02-8","CAS.Checksum":true,"DTXSID":"DTXSID3057723","Formula":"C19H18ClN3O5S","All.Compound.Names":"Rivaroxaban|Dtxsid3057723|366789-02-8","logHenry":-9.28,"logHenry.Reference":"OPERA29","logP":2.22,"logP.Reference":"OPERA29","logWSol":-3.41,"logWSol.Reference":"OPERA29","MP":174,"MP.Reference":"OPERA29","MW":435.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.06","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"366789-02-8"}
{"Compound":"Rivastigmine","CAS":"123441-03-2","CAS.Checksum":true,"DTXSID":"DTXSID7023564","Formula":"C14H22N2O2","All.Compound.Names":"Rivastigmine|123441-03-2|Dtxsid7023564","logHenry":-7.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.825,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.588,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.656,"logWSol.Reference":"EPA-CCD-OPERA","MP":103,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.72,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.6","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"123441-03-2"}
{"Compound":"Rizatriptan","CAS":"144034-80-0","CAS.Checksum":true,"DTXSID":"DTXSID2023565","Formula":"C15H19N5","All.Compound.Names":"Rizatriptan|144034-80-0|Dtxsid2023565","logHenry":-9.386,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.61,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.713,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.337,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.6,"MP.Reference":"EPA-CCD-OPERA","MW":269.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.82,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.86","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.04,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"144034-80-0"}
{"Compound":"Ro 02-70608","CAS":"1160849-72-8","CAS.Checksum":true,"DTXSID":"DTXSID001031327","Formula":"C23H18Cl3N3O4","All.Compound.Names":"Ro 02-70608|Ro-02-70608|1160849-72-8","logHenry":-9.03,"logHenry.Reference":"OPERA29","logP":2.31,"logP.Reference":"OPERA29","logWSol":-5.08,"logWSol.Reference":"OPERA29","MP":238,"MP.Reference":"OPERA29","MW":506.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1160849-72-8"}
{"Compound":"Ro25-6833","CAS":"161672-76-0","CAS.Checksum":true,"DTXSID":"DTXSID401031329","Formula":"C19H17F3N6O6S2","All.Compound.Names":"Ro25-6833|Ro 25-6833|161672-76-0","logHenry":-12.88,"logHenry.Reference":"OPERA29","logP":0.43,"logP.Reference":"OPERA29","logWSol":-3.87,"logWSol.Reference":"OPERA29","MP":265,"MP.Reference":"OPERA29","MW":546.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.04","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.043","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"161672-76-0"}
{"Compound":"Rocuronium","CAS":"143558-00-3","CAS.Checksum":true,"DTXSID":"DTXSID6048339","Formula":"C32H53N2O4","All.Compound.Names":"Rocuronium|Dtxsid6048339|143558-00-3","logHenry":-8.602,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.43,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.788,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.796,"logWSol.Reference":"EPA-CCD-OPERA","MP":164,"MP.Reference":"EPA-CCD-OPERA","MW":529.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.55","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.59","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.54","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"143558-00-3"}
{"Compound":"Rofecoxib","CAS":"162011-90-7","CAS.Checksum":true,"DTXSID":"DTXSID2023567","Formula":"C17H14O4S","All.Compound.Names":"Rofecoxib|162011-90-7|Dtxsid2023567","logHenry":-8.201,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.175,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.175,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.994,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.5,"MP.Reference":"EPA-CCD-OPERA","MW":314.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"23.4,10.4,52.8","Human.Caco2.Pab.Reference":"Lanevskij","Human.Foral":0.93,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.13","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"162011-90-7"}
{"Compound":"Roflumilast","CAS":"162401-32-3","CAS.Checksum":true,"DTXSID":"DTXSID8044123","Formula":"C17H14Cl2F2N2O3","All.Compound.Names":"Roflumilast|Dtxsid8044123|162401-32-3","logHenry":-10.45,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.467,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.929,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.698,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.6,"MP.Reference":"EPA-CCD-OPERA","MW":403.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"39,17.3,87.9","Human.Caco2.Pab.Reference":"ChEMBL","Human.Clint":"3","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"162401-32-3"}
{"Compound":"Rolapitant","CAS":"552292-08-7","CAS.Checksum":true,"DTXSID":"DTXSID90203740","Formula":"C25H26F6N2O2","All.Compound.Names":"Rolapitant|Dtxsid90203740|552292-08-7","logHenry":-9.649,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.448,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.054,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.394,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.8,"MP.Reference":"EPA-CCD-OPERA","MW":500.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.002","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"552292-08-7"}
{"Compound":"Rolipram","CAS":"61413-54-5","CAS.Checksum":true,"DTXSID":"DTXSID3044124","Formula":"C16H21NO3","All.Compound.Names":"Rolipram|4-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyrrolidone|61413-54-5|Dtxsid3044124","logHenry":-8.381,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.053,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.919,"logWSol.Reference":"EPA-CCD-OPERA","MP":103,"MP.Reference":"EPA-CCD-OPERA","MW":275.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.75,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.11","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"61413-54-5"}
{"Compound":"Rolitetracycline","CAS":"751-97-3","CAS.Checksum":true,"DTXSID":"DTXSID7023568","Formula":"C27H33N3O8","All.Compound.Names":"Rolitetracycline|Dtxsid7023568|751-97-3","logHenry":-12.16,"logHenry.Reference":"OPERA29","logP":0.44,"logP.Reference":"OPERA29","logWSol":-1.42,"logWSol.Reference":"OPERA29","MP":231,"MP.Reference":"OPERA29","MW":527.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.10,4.04","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"8.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.5","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"751-97-3"}
{"Compound":"Romidepsin","CAS":"128517-07-7","CAS.Checksum":true,"DTXSID":"DTXSID8048579","Formula":"C24H36N4O6S2","All.Compound.Names":"Romidepsin|Dtxsid8048579|128517-07-7","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4778,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.053,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.82,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.7,"MP.Reference":"EPA-CCD-OPERA","MW":540.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.07","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"128517-07-7"}
{"Compound":"Ropinirole","CAS":"91374-21-9","CAS.Checksum":true,"DTXSID":"DTXSID8045195","Formula":"C16H24N2O","All.Compound.Names":"Ropinirole|91374-21-9|Dtxsid8045195","logHenry":-8.996,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.702,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.45,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.67,"MP.Reference":"EPA-CCD-OPERA","MW":260.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.55,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.6","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"91374-21-9"}
{"Compound":"Ropivacaine","CAS":"84057-95-4","CAS.Checksum":true,"DTXSID":"DTXSID4040187","Formula":"C17H26N2O","All.Compound.Names":"Ropivacaine|Dtxsid4040187|84057-95-4","logHenry":-9.504,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.901,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.174,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.391,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.2,"MP.Reference":"EPA-CCD-OPERA","MW":274.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.93","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.62","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"15.49","Human.Clint.Reference":"Dawson 2021","Human.Funbound.plasma":"0.06","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.69,"Human.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"84057-95-4"}
{"Compound":"Rosiglitazone","CAS":"122320-73-4","CAS.Checksum":true,"DTXSID":"DTXSID7037131","Formula":"C18H19N3O3S","All.Compound.Names":"Rosiglitazone|122320-73-4|Dtxsid7037131","logHenry":-8.689,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.463,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.804,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.602,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.9,"MP.Reference":"EPA-CCD-OPERA","MW":357.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.23","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"8.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"13","Human.Clint.Reference":"Williamson 2020","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.97,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.002","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":1,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"122320-73-4"}
{"Compound":"Rosuvastatin","CAS":"287714-41-4","CAS.Checksum":true,"DTXSID":"DTXSID8048492","Formula":"C22H28FN3O6S","All.Compound.Names":"Rosuvastatin|287714-41-4|Dtxsid8048492","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.526,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.885,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.896,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.6,"MP.Reference":"EPA-CCD-OPERA","MW":481.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.7","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.5,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.6,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.67,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.2,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.12","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Clint":"12.5","Rat.Clint.Reference":"Wood 2017","Rat.Foral":0.19,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.064","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"287714-41-4"}
{"Compound":"Rotigotine","CAS":"99755-59-6","CAS.Checksum":true,"DTXSID":"DTXSID5046772","Formula":"C19H25NOS","All.Compound.Names":"Rotigotine|Dtxsid5046772|99755-59-6","logHenry":-9.057,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.702,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.979,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.21,"logWSol.Reference":"EPA-CCD-OPERA","MP":117.3,"MP.Reference":"EPA-CCD-OPERA","MW":315.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.5","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.08","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"99755-59-6"}
{"Compound":"S 12363","CAS":"123286-01-1","CAS.Checksum":true,"DTXSID":"DTXSID201031335","All.Compound.Names":"S 12363|Vinfosiline sulfate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"123286-01-1"}
{"Compound":"Sabeluzole","CAS":"104383-17-7","CAS.Checksum":true,"DTXSID":"DTXSID60869418","Formula":"C22H26FN3O2S","All.Compound.Names":"Sabeluzole|Dtxsid60869418|104383-17-7","logHenry":-6.892,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.605,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.67,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.057,"logWSol.Reference":"EPA-CCD-OPERA","MP":151,"MP.Reference":"EPA-CCD-OPERA","MW":415.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.8","pKa_Accept.Reference":"Pearce 2017","pKa_Donor":"9.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.014","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.82,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Clint":"0","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.02","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.84,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"104383-17-7"}
{"Compound":"Salvianolic acid b","CAS":"121521-90-2","CAS.Checksum":true,"DTXSID":"DTXSID201031347","Formula":"C36H30O16","All.Compound.Names":"Salvianolic acid b|Lithospermic acid b|121521-90-2","logHenry":-12.08,"logHenry.Reference":"OPERA29","logP":2.01,"logP.Reference":"OPERA29","logWSol":-3.03,"logWSol.Reference":"OPERA29","MP":165,"MP.Reference":"OPERA29","MW":718.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.21","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.08","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"121521-90-2"}
{"Compound":"Saquinavir","CAS":"127779-20-8","CAS.Checksum":true,"DTXSID":"DTXSID6044012","Formula":"C38H50N6O5","All.Compound.Names":"Saquinavir|127779-20-8|Dtxsid6044012","logHenry":-10.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.699,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.863,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.17,"logWSol.Reference":"EPA-CCD-OPERA","MP":197,"MP.Reference":"EPA-CCD-OPERA","MW":670.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.73","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.64,14.33","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat|Mouse","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"5.53,2.45,12.5","Human.Caco2.Pab.Reference":"Lanevskij,ChEMBL","Human.Clint":"0","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.8,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.19,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.45,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.07,"Human.Foral.Reference":"Varma 2010","Human.Funbound.plasma":"0.028","Human.Funbound.plasma.Reference":"Lombardo 2018","Mouse.Foral":0.4219,"Mouse.Foral.Reference":"Musther 2014","Rat.Clint":"1756","Rat.Clint.Reference":"Wood 2017","Rat.Foral":0.065,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.051","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"127779-20-8"}
{"Compound":"Satavaptan","CAS":"185913-78-4","CAS.Checksum":true,"DTXSID":"DTXSID60870165","Formula":"C33H45N3O8S","All.Compound.Names":"Satavaptan|N-tert-butyl-4-{5'-ethoxy-4-[2-(morpholin-4-yl)ethoxy]-2'-oxospiro[cyclohexane-1,3'-indole]-1'(2'h)-sulfonyl}-3-methoxybenzamide|Dtxsid60870165|185913-78-4","logHenry":-7.905,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.717,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.662,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.972,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.3,"MP.Reference":"EPA-CCD-OPERA","MW":643.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"185913-78-4"}
{"Compound":"Saxagliptin","CAS":"361442-04-8","CAS.Checksum":true,"DTXSID":"DTXSID7048580","Formula":"C18H25N3O2","All.Compound.Names":"Saxagliptin|Dtxsid7048580|361442-04-8","logHenry":-9.011,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3103,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.651,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.8,"logWSol.Reference":"EPA-CCD-OPERA","MP":205,"MP.Reference":"EPA-CCD-OPERA","MW":315.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"361442-04-8"}
{"Compound":"Sch34343","CAS":"95415-91-1","CAS.Checksum":true,"DTXSID":"DTXSID60873378","Formula":"C11H14N2O6S2","All.Compound.Names":"Sch34343|Sch 34343|Dtxsid60873378|95415-91-1","logHenry":-10.37,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2012,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.118,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.642,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.3,"MP.Reference":"EPA-CCD-OPERA","MW":334.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.1","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.35","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"95415-91-1"}
{"Compound":"Scutellarin","CAS":"27740-01-8","CAS.Checksum":true,"DTXSID":"DTXSID101336184","Formula":"C21H18O12","All.Compound.Names":"Scutellarin|27740-01-8","logHenry":-10.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.628,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.928,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.206,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.4,"MP.Reference":"EPA-CCD-OPERA","MW":462.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"27740-01-8"}
{"Compound":"Selegiline","CAS":"2323-36-6","CAS.Checksum":true,"DTXSID":"DTXSID60860142","Formula":"C13H17N","All.Compound.Names":"Selegiline|(+/-)-deprenyl|Dtxsid60860142|2323-36-6","logHenry":-3.411,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.897,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.866,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.343,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.85,"MP.Reference":"EPA-CCD-OPERA","MW":187.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.13","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.75,"Human.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"2323-36-6"}
{"Compound":"Sematilide","CAS":"101526-83-4","CAS.Checksum":true,"DTXSID":"DTXSID0058720","Formula":"C14H23N3O3S","All.Compound.Names":"Sematilide|101526-83-4|Dtxsid0058720","logHenry":-10.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.526,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.771,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.727,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.7,"MP.Reference":"EPA-CCD-OPERA","MW":313.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.24","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.69","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.65,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.95,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.613,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.96","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.09,"Human.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"101526-83-4"}
{"Compound":"Semaxanib","CAS":"194413-58-6","CAS.Checksum":true,"DTXSID":"DTXSID801025708","Formula":"C15H14N2O","All.Compound.Names":"Semaxanib|194413-58-6","logHenry":-8.64,"logHenry.Reference":"OPERA29","logP":1.37,"logP.Reference":"OPERA29","logWSol":-4.69,"logWSol.Reference":"OPERA29","MP":140,"MP.Reference":"OPERA29","MW":238.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.02","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"28","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.008","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"194413-58-6"}
{"Compound":"Silodosin","CAS":"160970-54-7","CAS.Checksum":true,"DTXSID":"DTXSID40167045","Formula":"C25H32F3N3O4","All.Compound.Names":"Silodosin|160970-54-7|Dtxsid40167045","logHenry":-9.933,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.402,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.029,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.351,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.4,"MP.Reference":"EPA-CCD-OPERA","MW":495.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.32,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"160970-54-7"}
{"Compound":"Sisomicin","CAS":"32385-11-8","CAS.Checksum":true,"DTXSID":"DTXSID0023583","Formula":"C19H37N5O7","All.Compound.Names":"Sisomicin|Dtxsid0023583|32385-11-8","logHenry":-9.94,"logHenry.Reference":"OPERA29","logP":-2.26,"logP.Reference":"OPERA29","logWSol":-2.24,"logWSol.Reference":"OPERA29","MP":217,"MP.Reference":"OPERA29","MW":447.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.59","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.15","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"32385-11-8"}
{"Compound":"Sitafloxacin","CAS":"127254-12-0","CAS.Checksum":true,"DTXSID":"DTXSID5048847","Formula":"C19H18ClF2N3O3","All.Compound.Names":"Sitafloxacin|127254-12-0|Dtxsid5048847","logHenry":-10.79,"logHenry.Reference":"OPERA29","logP":3.32,"logP.Reference":"OPERA29","logWSol":-2.45,"logWSol.Reference":"OPERA29","MP":243,"MP.Reference":"OPERA29","MW":409.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.47","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog|Monkey","Dog.Foral":0.512,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.97,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.96,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.89,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.51","Human.Funbound.plasma.Reference":"Lombardo 2018","Monkey.Foral":0.927,"Monkey.Foral.Reference":"Musther 2014","Rat.Foral":0.309,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"127254-12-0"}
{"Compound":"Sitagliptin","CAS":"486460-32-6","CAS.Checksum":true,"DTXSID":"DTXSID70197572","Formula":"C16H15F6N5O","All.Compound.Names":"Sitagliptin|486460-32-6|Dtxsid70197572","logHenry":-9.197,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.558,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.411,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.386,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.5,"MP.Reference":"EPA-CCD-OPERA","MW":407.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.62","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog|Monkey","Dog.Foral":1,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.99,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.95,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.87,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.62","Human.Funbound.plasma.Reference":"Lombardo 2018","Monkey.Foral":0.68,"Monkey.Foral.Reference":"Musther 2014","Rat.Foral":0.76,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"486460-32-6"}
{"Compound":"Sk-896","CAS":"131418-27-4","CAS.Checksum":true,"DTXSID":"DTXSID601031349","Formula":"C125H197N35O37","All.Compound.Names":"Sk-896|Motilin (swine), 13-l-leucine-22a-l-homoserine-","MW":2782,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.03","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"131418-27-4"}
{"Compound":"Solifenacin","CAS":"242478-37-1","CAS.Checksum":true,"DTXSID":"DTXSID3048289","Formula":"C23H26N2O2","All.Compound.Names":"Solifenacin|242478-37-1|Dtxsid3048289","logHenry":-6.26,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.369,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.392,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.191,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.6,"MP.Reference":"EPA-CCD-OPERA","MW":362.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4","Human.Clint.Reference":"Williamson 2020","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.96,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.92,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"242478-37-1"}
{"Compound":"Sotalol","CAS":"3930-20-9","CAS.Checksum":true,"DTXSID":"DTXSID0023589","Formula":"C12H20N2O3S","All.Compound.Names":"Sotalol|3930-20-9|Dtxsid0023589","logHenry":-8.733,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2427,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.293,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.247,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.7,"MP.Reference":"EPA-CCD-OPERA","MW":272.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.43","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"8.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.841,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.16,0.513,2.61","Human.Caco2.Pab.Reference":"ChEMBL,Lanevskij","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.95,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.62","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"3930-20-9"}
{"Compound":"Sparfloxacin","CAS":"110871-86-8","CAS.Checksum":true,"DTXSID":"DTXSID9023590","Formula":"C19H22F2N4O3","All.Compound.Names":"Sparfloxacin|110871-86-8|Dtxsid9023590","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.0166,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.371,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.526,"logWSol.Reference":"EPA-CCD-OPERA","MP":190,"MP.Reference":"EPA-CCD-OPERA","MW":392.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.08","pKa_Accept.Reference":"Pearce 2017","pKa_Donor":"-0.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog|Monkey","Dog.Foral":0.8442,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"32.4,14.4,72.9","Human.Caco2.Pab.Reference":"Lanevskij","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.9,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.92,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.55","Human.Funbound.plasma.Reference":"Lombardo 2018","Monkey.Foral":0.7973,"Monkey.Foral.Reference":"Musther 2014","Rat.Foral":0.6161,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.55","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"110871-86-8"}
{"Compound":"Spiramycin","CAS":"8025-81-8","CAS.Checksum":true,"DTXSID":"DTXSID6045402","All.Compound.Names":"Spiramycin|Dtxsid6045402|8025-81-8","logHenry":-5.49,"logHenry.Reference":"OPERA29","logP":3.33,"logP.Reference":"OPERA29","logWSol":-3.48,"logWSol.Reference":"OPERA29","MP":133,"MP.Reference":"OPERA29","MW":856.5,"MW.Reference":"OPERA29","pKa_Donor":"9.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.26","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"8025-81-8"}
{"Compound":"Stavudine","CAS":"3056-17-5","CAS.Checksum":true,"DTXSID":"DTXSID1023819","Formula":"C10H12N2O4","All.Compound.Names":"Stavudine|3056-17-5|Dtxsid1023819","logHenry":-8.677,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7204,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.794,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.882,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.6,"MP.Reference":"EPA-CCD-OPERA","MW":224.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.82,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"3056-17-5"}
{"Compound":"Streptomycin","CAS":"57-92-1","CAS.Checksum":true,"DTXSID":"DTXSID4023597","Formula":"C21H39N7O12","All.Compound.Names":"Streptomycin|Streptomycin a|57-92-1|Dtxsid4023597","logHenry":-10.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.441,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.06,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2347,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.3,"MP.Reference":"EPA-CCD-OPERA","MW":581.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.90,11.40,8.00","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"4.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.65","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"57-92-1"}
{"Compound":"Sufentanil","CAS":"56030-54-7","CAS.Checksum":true,"DTXSID":"DTXSID6023604","Formula":"C22H30N2O2S","All.Compound.Names":"Sufentanil|56030-54-7|Dtxsid6023604","logHenry":-6.944,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.95,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.739,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.713,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.95,"MP.Reference":"EPA-CCD-OPERA","MW":386.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.35,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.075","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.74,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Funbound.plasma":"0.07","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.74,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"56030-54-7"}
{"Compound":"Sulbactam","CAS":"68373-14-8","CAS.Checksum":true,"DTXSID":"DTXSID1023605","Formula":"C8H11NO5S","All.Compound.Names":"Sulbactam|Dtxsid1023605|68373-14-8","logHenry":-9.752,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2455,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.727,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9777,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.2,"MP.Reference":"EPA-CCD-OPERA","MW":233.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Human.Funbound.plasma":"0.62","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"68373-14-8"}
{"Compound":"Sulbenicillin","CAS":"41744-40-5","CAS.Checksum":true,"DTXSID":"DTXSID90873381","Formula":"C16H18N2O7S2","All.Compound.Names":"Sulbenicillin|D-(-)-sulbenicillin|Dtxsid90873381|41744-40-5","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2211,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.607,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.296,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.4,"MP.Reference":"EPA-CCD-OPERA","MW":414.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.5","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"41744-40-5"}
{"Compound":"Sulfadiazine","CAS":"68-35-9","CAS.Checksum":true,"DTXSID":"DTXSID7044130","Formula":"C10H10N4O2S","All.Compound.Names":"Sulfadiazine|68-35-9|Dtxsid7044130","logHenry":-10.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.08861,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.222,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.476,"logWSol.Reference":"EPA-CCD-OPERA","MP":241.9,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.9","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.85,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.44","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"68-35-9"}
{"Compound":"Sulfamethoxazole","CAS":"723-46-6","CAS.Checksum":true,"DTXSID":"DTXSID8026064","Formula":"C10H11N3O3S","All.Compound.Names":"Sulfamethoxazole|723-46-6|Dtxsid8026064","logHenry":-9.763,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.891,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.13,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.675,"logWSol.Reference":"EPA-CCD-OPERA","MP":167,"MP.Reference":"EPA-CCD-OPERA","MW":253.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.97,0.25","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"6.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"26.3,11.7,59.3","Human.Caco2.Pab.Reference":"Lanevskij","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.23","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.79,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"723-46-6"}
{"Compound":"Sulfinpyrazone","CAS":"57-96-5","CAS.Checksum":true,"DTXSID":"DTXSID0023618","Formula":"C23H20N2O3S","All.Compound.Names":"Sulfinpyrazone|57-96-5|Dtxsid0023618","logHenry":-9.334,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.304,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.375,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.83,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.5,"MP.Reference":"EPA-CCD-OPERA","MW":404.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.93,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.017","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"57-96-5"}
{"Compound":"Sulfisoxazole","CAS":"127-69-5","CAS.Checksum":true,"DTXSID":"DTXSID6021292","Formula":"C11H13N3O3S","All.Compound.Names":"Sulfisoxazole|127-69-5|Dtxsid6021292","logHenry":-9.773,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.012,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.063,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.91,"logWSol.Reference":"EPA-CCD-OPERA","MP":191,"MP.Reference":"EPA-CCD-OPERA","MW":267.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.17,1.42","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"4.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"24.6,10.9,55.3","Human.Caco2.Pab.Reference":"Lanevskij","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.97,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.96,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.079","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.77,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"127-69-5"}
{"Compound":"Sulmazole","CAS":"73384-60-8","CAS.Checksum":true,"DTXSID":"DTXSID1040617","Formula":"C14H13N3O2S","All.Compound.Names":"Sulmazole|Dtxsid1040617|73384-60-8","logHenry":-6.4,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.182,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.029,"logWSol.Reference":"EPA-CCD-OPERA","MP":204,"MP.Reference":"EPA-CCD-OPERA","MW":287.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.41","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"73384-60-8"}
{"Compound":"Sumatriptan","CAS":"103628-46-2","CAS.Checksum":true,"DTXSID":"DTXSID4023628","Formula":"C14H21N3O2S","All.Compound.Names":"Sumatriptan|103628-46-2|Dtxsid4023628","logHenry":-7.694,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9304,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.235,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.872,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.7,"MP.Reference":"EPA-CCD-OPERA","MW":295.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.54","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"10.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.5622,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.02,1.34,6.8","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"2.414","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.57,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.73,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.33,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.84,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.83","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.03,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.37,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"103628-46-2"}
{"Compound":"Suprofen","CAS":"40828-46-4","CAS.Checksum":true,"DTXSID":"DTXSID5045469","Formula":"C14H12O3S","All.Compound.Names":"Suprofen|40828-46-4|Dtxsid5045469","logHenry":-8.994,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.388,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.076,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.474,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.1,"MP.Reference":"EPA-CCD-OPERA","MW":260.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9.77","Human.Clint.Reference":"Dawson 2021","Human.Fabs":0.92,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.03,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.97,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.92,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.006","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"40828-46-4"}
{"Compound":"Suramin","CAS":"145-63-1","CAS.Checksum":true,"DTXSID":"DTXSID1046344","Formula":"C51H40N6O23S6","All.Compound.Names":"Suramin|145-63-1|Dtxsid1046344","logHenry":-10.61,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.515,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.118,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.609,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.3,"MP.Reference":"EPA-CCD-OPERA","MW":1297,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.003","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"145-63-1"}
{"Compound":"Susalimod","CAS":"149556-49-0","CAS.Checksum":true,"DTXSID":"DTXSID80164336","Formula":"C21H16N2O5S","All.Compound.Names":"Susalimod|Dtxsid80164336|149556-49-0","logHenry":-9.512,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.545,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.825,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.684,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.2,"MP.Reference":"EPA-CCD-OPERA","MW":408.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.0019","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"149556-49-0"}
{"Compound":"Suvorexant","CAS":"1030377-33-3","CAS.Checksum":true,"DTXSID":"DTXSID90145616","Formula":"C23H23ClN6O2","All.Compound.Names":"Suvorexant|Dtxsid90145616|1030377-33-3","logHenry":-7.916,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.372,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.307,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.231,"logWSol.Reference":"EPA-CCD-OPERA","MP":139,"MP.Reference":"EPA-CCD-OPERA","MW":450.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1030377-33-3"}
{"Compound":"Tacrolimus","CAS":"104987-11-3","CAS.Checksum":true,"DTXSID":"DTXSID5046354","Formula":"C44H69NO12","All.Compound.Names":"Tacrolimus|104987-11-3|Dtxsid5046354","logHenry":-8.724,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.428,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.185,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.223,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.4,"MP.Reference":"EPA-CCD-OPERA","MW":804,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.19","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.96,14.08,14.81","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Mouse|Rat|Dog","Dog.Foral":0.065,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.Reference":"Wood 2017","Human.Fabs":0.15,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.03,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.97,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.25,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Mouse.Foral":0.22,"Mouse.Foral.Reference":"Musther 2014","Rat.Foral":0.262,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"104987-11-3"}
{"Compound":"Talinolol","CAS":"57460-41-0","CAS.Checksum":true,"DTXSID":"DTXSID6046426","Formula":"C20H33N3O3","All.Compound.Names":"Talinolol|57460-41-0|Dtxsid6046426","logHenry":-8.856,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.742,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.688,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.899,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.3,"MP.Reference":"EPA-CCD-OPERA","MW":363.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.76","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"12.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.137,0.0338,0.554","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Fabs":0.65,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.94,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.9,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.55,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.39","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.29,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"57460-41-0"}
{"Compound":"Tamsulosin","CAS":"106133-20-4","CAS.Checksum":true,"DTXSID":"DTXSID3023631","Formula":"C20H28N2O5S","All.Compound.Names":"Tamsulosin|106133-20-4|Dtxsid3023631","logHenry":-9.683,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.347,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.105,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.681,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.2,"MP.Reference":"EPA-CCD-OPERA","MW":408.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.64","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.93","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat|Dog","Dog.Foral":0.297,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.144,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"106133-20-4"}
{"Compound":"Tazobactam","CAS":"89786-04-9","CAS.Checksum":true,"DTXSID":"DTXSID8023634","Formula":"C10H12N4O5S","All.Compound.Names":"Tazobactam|Dtxsid8023634|89786-04-9","logHenry":-9.753,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.05334,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.45,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.584,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.4,"MP.Reference":"EPA-CCD-OPERA","MW":300.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.71","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.7","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"89786-04-9"}
{"Compound":"Tedizolid","CAS":"856866-72-3","CAS.Checksum":true,"DTXSID":"DTXSID10234975","Formula":"C17H15FN6O3","All.Compound.Names":"Tedizolid|Dtxsid10234975|856866-72-3","logHenry":-8.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.146,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.162,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.657,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.8,"MP.Reference":"EPA-CCD-OPERA","MW":370.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.11","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"856866-72-3"}
{"Compound":"Tegaserod","CAS":"145158-71-0","CAS.Checksum":true,"DTXSID":"DTXSID6045955","Formula":"C16H23N5O","All.Compound.Names":"Tegaserod|145158-71-0|Dtxsid6045955","logHenry":-9.389,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.795,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.43,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.441,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.5,"MP.Reference":"EPA-CCD-OPERA","MW":301.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"11,4.88,24.8","Human.Caco2.Pab.Reference":"ChEMBL","Human.Fabs":0.5,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.94,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.23,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.72,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"145158-71-0"}
{"Compound":"Teicoplanin a2-1","CAS":"91032-34-7","CAS.Checksum":true,"DTXSID":"DTXSID90872359","Formula":"C88H95Cl2N9O33","All.Compound.Names":"Teicoplanin a2-1|Teichomycin a2 factor 1","MW":1878,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.14","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"91032-34-7"}
{"Compound":"Teicoplanin a2-2","CAS":"91032-26-7","CAS.Checksum":true,"DTXSID":"DTXSID30872358","Formula":"C88H97Cl2N9O33","All.Compound.Names":"Teicoplanin a2-2|Teichomycin a2 factor 2","MW":1880,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.09","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"91032-26-7"}
{"Compound":"Teicoplanin a2-3","CAS":"91032-36-9","CAS.Checksum":true,"DTXSID":"DTXSID70872357","Formula":"C88H97Cl2N9O33","All.Compound.Names":"Teicoplanin a2-3|Teichomycin a2 factor 3","MW":1880,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.06","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"91032-36-9"}
{"Compound":"Teicoplanin a2-4","CAS":"91032-37-0","CAS.Checksum":true,"DTXSID":"DTXSID50872355","Formula":"C89H99Cl2N9O33","All.Compound.Names":"Teicoplanin a2-4|Teichomycin a2 factor 4","MW":1894,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.044","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"91032-37-0"}
{"Compound":"Teicoplanin a2-5","CAS":"91032-38-1","CAS.Checksum":true,"DTXSID":"DTXSID10872356","Formula":"C89H99Cl2N9O33","All.Compound.Names":"Teicoplanin a2-5|Teichomycin a2 factor 5","MW":1894,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.033","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"91032-38-1"}
{"Compound":"Telavancin","CAS":"372151-71-8","CAS.Checksum":true,"DTXSID":"DTXSID10873383","Formula":"C80H106Cl2N11O27P","All.Compound.Names":"Telavancin","MW":1756,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.07","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"372151-71-8"}
{"Compound":"Telithromycin","CAS":"191114-48-4","CAS.Checksum":true,"DTXSID":"DTXSID3046455","Formula":"C43H65N5O10","All.Compound.Names":"Telithromycin|191114-48-4|Dtxsid3046455","logHenry":-8.011,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.688,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.967,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.12,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.6,"MP.Reference":"EPA-CCD-OPERA","MW":812,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.65,5.70,4.08","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"5.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.57,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.41","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"191114-48-4"}
{"Compound":"Telmisartan","CAS":"144701-48-4","CAS.Checksum":true,"DTXSID":"DTXSID8023636","Formula":"C33H30N4O2","All.Compound.Names":"Telmisartan|144701-48-4|Dtxsid8023636","logHenry":-7.666,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.862,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.514,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.97,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.1,"MP.Reference":"EPA-CCD-OPERA","MW":514.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.13,4.78","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"8.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.98","Human.Clint.Reference":"Dawson 2021","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.75,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.64,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.004","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"144701-48-4"}
{"Compound":"Temocillin","CAS":"66148-78-5","CAS.Checksum":true,"DTXSID":"DTXSID201009398","Formula":"C16H18N2O7S2","All.Compound.Names":"Temocillin|Negaban|Dtxsid201009398|66148-78-5","logHenry":-10.92,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4175,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.962,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.175,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.5,"MP.Reference":"EPA-CCD-OPERA","MW":414.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.21","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"66148-78-5"}
{"Compound":"Temoporfin","CAS":"122341-38-2","CAS.Checksum":true,"DTXSID":"DTXSID7048619","Formula":"C44H32N4O4","All.Compound.Names":"Temoporfin|Dtxsid7048619|122341-38-2","logHenry":-10.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.216,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.366,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.909,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.7,"MP.Reference":"EPA-CCD-OPERA","MW":680.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.14","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"122341-38-2"}
{"Compound":"Teniposide","CAS":"29767-20-2","CAS.Checksum":true,"DTXSID":"DTXSID8023638","Formula":"C32H32O13S","All.Compound.Names":"Teniposide|29767-20-2|Dtxsid8023638","logHenry":-11.16,"logHenry.Reference":"OPERA29","logP":1.24,"logP.Reference":"OPERA29","logWSol":-4.04,"logWSol.Reference":"OPERA29","MP":244,"MP.Reference":"OPERA29","MW":656.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.41,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.0044","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"29767-20-2"}
{"Compound":"Tenofovir","CAS":"147127-20-6","CAS.Checksum":true,"DTXSID":"DTXSID9040132","Formula":"C9H14N5O4P","All.Compound.Names":"Tenofovir|147127-20-6|Dtxsid9040132","logHenry":-9.946,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.287,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.822,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7867,"logWSol.Reference":"EPA-CCD-OPERA","MP":193,"MP.Reference":"EPA-CCD-OPERA","MW":287.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.09","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"1.35,7.91","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.25,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.93","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"147127-20-6"}
{"Compound":"Terazosin","CAS":"63590-64-7","CAS.Checksum":true,"DTXSID":"DTXSID3023639","Formula":"C19H25N5O4","All.Compound.Names":"Terazosin|63590-64-7|Dtxsid3023639","logHenry":-10.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.292,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.96,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.239,"logWSol.Reference":"EPA-CCD-OPERA","MP":273,"MP.Reference":"EPA-CCD-OPERA","MW":387.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.95,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.96,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.87,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.08","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.84,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.678,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"63590-64-7"}
{"Compound":"Teriflunomide","CAS":"163451-81-8","CAS.Checksum":true,"DTXSID":"DTXSID80893457","Formula":"C12H9F3N2O2","All.Compound.Names":"Teriflunomide|Dtxsid80893457","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.934,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.812,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.175,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.9,"MP.Reference":"EPA-CCD-OPERA","MW":270.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"163451-81-8"}
{"Compound":"Terodiline","CAS":"15793-40-5","CAS.Checksum":true,"DTXSID":"DTXSID60860001","Formula":"C20H27N","All.Compound.Names":"Terodiline|15793-40-5|Dtxsid60860001","logHenry":-5.343,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.255,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.357,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.993,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.401,"MP.Reference":"EPA-CCD-OPERA","MW":281.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.23,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.97,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.96,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.82,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.08","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"15793-40-5"}
{"Compound":"Tesaglitazar","CAS":"251565-85-2","CAS.Checksum":true,"DTXSID":"DTXSID4048773","Formula":"C20H24O7S","All.Compound.Names":"Tesaglitazar|251565-85-2|Dtxsid4048773","logHenry":-7.69,"logHenry.Reference":"OPERA29","logP":3.58,"logP.Reference":"OPERA29","logWSol":-4.43,"logWSol.Reference":"OPERA29","MP":170,"MP.Reference":"OPERA29","MW":408.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.0011","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"251565-85-2"}
{"Compound":"Testosterone","CAS":"58-22-0","CAS.Checksum":true,"DTXSID":"DTXSID8022371","Formula":"C19H28O2","All.Compound.Names":"Testosterone|58-22-0|Dtxsid8022371","logHenry":-7.152,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.318,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.675,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.04,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.9,"MP.Reference":"EPA-CCD-OPERA","MW":288.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"49.6,22,112","Human.Caco2.Pab.Reference":"Lanevskij,ChEMBL","Human.Clint":"28.83","Human.Clint.Reference":"Brown 2007","Human.Foral":0.04,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.057","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"58-22-0"}
{"Compound":"Tetrahydrocannabinol, d9-","CAS":"1972-08-3","CAS.Checksum":true,"DTXSID":"DTXSID6021327","Formula":"C21H30O2","All.Compound.Names":"Tetrahydrocannabinol, d9-|1-trans-delta-9-tetrahydrocannabinol|Tetrahydrocannabinol|Dtxsid6021327|1972-08-3","logHenry":-9.076,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.164,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.656,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.892,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.7,"MP.Reference":"EPA-CCD-OPERA","MW":314.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"1972-08-3"}
{"Compound":"Tezosentan","CAS":"180384-57-0","CAS.Checksum":true,"DTXSID":"DTXSID20170956","Formula":"C27H27N9O6S","All.Compound.Names":"Tezosentan|Dtxsid20170956|180384-57-0","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.955,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.588,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.841,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.8,"MP.Reference":"EPA-CCD-OPERA","MW":605.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.23","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.19,6.96","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.0085","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"180384-57-0"}
{"Compound":"Thalidomide","CAS":"50-35-1","CAS.Checksum":true,"DTXSID":"DTXSID9022524","Formula":"C13H10N2O4","All.Compound.Names":"Thalidomide|Dtxsid9022524|50-35-1","logHenry":-8.654,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3288,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.188,"logWSol.Reference":"EPA-CCD-OPERA","MP":269.9,"MP.Reference":"EPA-CCD-OPERA","MW":258.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"23.4,10.4,52.8","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"4","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.4","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"50-35-1"}
{"Compound":"Thiamphenicol glycinate","CAS":"2393-92-2","CAS.Checksum":true,"DTXSID":"DTXSID7048326","Formula":"C14H18Cl2N2O6S","All.Compound.Names":"Thiamphenicol glycinate|Dtxsid7048326|2393-92-2","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.08545,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.244,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.913,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.8,"MP.Reference":"EPA-CCD-OPERA","MW":413.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.27","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"2393-92-2"}
{"Compound":"Thiotepa","CAS":"52-24-4","CAS.Checksum":true,"DTXSID":"DTXSID0021339","Formula":"C6H12N3PS","All.Compound.Names":"Thiotepa|Dtxsid0021339|52-24-4","logHenry":-6.469,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5297,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.217,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.00108,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.54,"MP.Reference":"EPA-CCD-OPERA","MW":189.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.9","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"52-24-4"}
{"Compound":"Tiagabine","CAS":"115103-54-3","CAS.Checksum":true,"DTXSID":"DTXSID5023663","Formula":"C20H25NO2S2","All.Compound.Names":"Tiagabine|115103-54-3|Dtxsid5023663","logHenry":-8.357,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.859,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.538,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.702,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.6,"MP.Reference":"EPA-CCD-OPERA","MW":375.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.26","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"6.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.54,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.93,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.04","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.25,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"115103-54-3"}
{"Compound":"Tianeptine","CAS":"72797-41-2","CAS.Checksum":true,"DTXSID":"DTXSID7048295","Formula":"C21H25ClN2O4S","All.Compound.Names":"Tianeptine|Dtxsid7048295|72797-41-2","logHenry":-9.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.529,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.019,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.392,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.7,"MP.Reference":"EPA-CCD-OPERA","MW":437,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"72797-41-2"}
{"Compound":"Tiaprofenic acid","CAS":"33005-95-7","CAS.Checksum":true,"DTXSID":"DTXSID5023665","Formula":"C14H12O3S","All.Compound.Names":"Tiaprofenic acid|33005-95-7|Dtxsid5023665","logHenry":-9.14,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.381,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.083,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.073,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.24,"MP.Reference":"EPA-CCD-OPERA","MW":260.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"38.9,17.3,87.6","Human.Caco2.Pab.Reference":"Lanevskij","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.015","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"33005-95-7"}
{"Compound":"Tiazofurin","CAS":"60084-10-8","CAS.Checksum":true,"DTXSID":"DTXSID00208827","Formula":"C9H12N2O5S","All.Compound.Names":"Tiazofurin|Dtxsid00208827|60084-10-8","logHenry":-9.771,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.729,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.12,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.368,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.7,"MP.Reference":"EPA-CCD-OPERA","MW":260.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.23","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.47","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"60084-10-8"}
{"Compound":"Ticagrelor","CAS":"274693-27-5","CAS.Checksum":true,"DTXSID":"DTXSID901009337","Formula":"C23H28F2N6O4S","All.Compound.Names":"Ticagrelor|Dtxsid901009337|274693-27-5","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.805,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.668,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.3,"MP.Reference":"EPA-CCD-OPERA","MW":522.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.002","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"274693-27-5"}
{"Compound":"Ticarcillin","CAS":"34787-01-4","CAS.Checksum":true,"DTXSID":"DTXSID0023668","Formula":"C15H16N2O6S2","All.Compound.Names":"Ticarcillin|34787-01-4|Dtxsid0023668","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6194,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.74,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.135,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.3,"MP.Reference":"EPA-CCD-OPERA","MW":384.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.55","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"34787-01-4"}
{"Compound":"Tigecycline","CAS":"220620-09-7","CAS.Checksum":true,"DTXSID":"DTXSID2048581","Formula":"C29H39N5O8","All.Compound.Names":"Tigecycline|220620-09-7|Dtxsid2048581","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1991,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.731,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.909,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.2,"MP.Reference":"EPA-CCD-OPERA","MW":585.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.69","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.2","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"220620-09-7"}
{"Compound":"Tilidine","CAS":"32447-90-8","CAS.Checksum":true,"DTXSID":"DTXSID9023671","Formula":"C17H23NO2","All.Compound.Names":"Tilidine|32447-90-8","logHenry":-7.741,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.337,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.183,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.547,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.7,"MP.Reference":"EPA-CCD-OPERA","MW":273.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.19,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.32,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.21","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"51931-66-9"}
{"Compound":"Tiludronate","CAS":"89987-06-4","CAS.Checksum":true,"DTXSID":"DTXSID10237966","Formula":"C7H9ClO6P2S","All.Compound.Names":"Tiludronate|Tiludronic acid|89987-06-4|Dtxsid10237966","logHenry":-8.045,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3362,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.756,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7269,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.9,"MP.Reference":"EPA-CCD-OPERA","MW":318.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.06,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"89987-06-4"}
{"Compound":"Tinidazole","CAS":"19387-91-8","CAS.Checksum":true,"DTXSID":"DTXSID4023676","Formula":"C8H13N3O4S","All.Compound.Names":"Tinidazole|19387-91-8|Dtxsid4023676","logHenry":-6.437,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3516,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.797,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.697,"logWSol.Reference":"EPA-CCD-OPERA","MP":127.5,"MP.Reference":"EPA-CCD-OPERA","MW":247.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":1,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.98,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.8","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"19387-91-8"}
{"Compound":"Tiopronin","CAS":"1953-02-2","CAS.Checksum":true,"DTXSID":"DTXSID4023678","Formula":"C5H9NO3S","All.Compound.Names":"Tiopronin|1953-02-2|Dtxsid4023678","logHenry":-9.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.379,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.234,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01027,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.1,"MP.Reference":"EPA-CCD-OPERA","MW":163.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.63,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.45","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1953-02-2"}
{"Compound":"Tiotropium","CAS":"186691-13-4","CAS.Checksum":true,"DTXSID":"DTXSID5044281","Formula":"C19H22NO4S2","All.Compound.Names":"Tiotropium|186691-13-4|Dtxsid5044281","logHenry":-8.78,"logHenry.Reference":"OPERA29","logP":0.21,"logP.Reference":"OPERA29","logWSol":-4.4,"logWSol.Reference":"OPERA29","MP":121,"MP.Reference":"OPERA29","MW":392.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.025,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.28","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"186691-13-4"}
{"Compound":"Tipifarnib","CAS":"192185-72-1","CAS.Checksum":true,"DTXSID":"DTXSID5041140","Formula":"C27H22Cl2N4O","All.Compound.Names":"Tipifarnib|Dtxsid5041140|192185-72-1","logHenry":-10.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.091,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.074,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.816,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.2,"MP.Reference":"EPA-CCD-OPERA","MW":489.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.006","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"192185-72-1"}
{"Compound":"Tirapazamine","CAS":"27314-97-2","CAS.Checksum":true,"DTXSID":"DTXSID30865361","Formula":"C8H7N3O2","All.Compound.Names":"Tirapazamine|Dtxsid30865361|27314-97-2","logHenry":-8.68,"logHenry.Reference":"OPERA29","logP":0.92,"logP.Reference":"OPERA29","logWSol":-2.19,"logWSol.Reference":"OPERA29","MP":194,"MP.Reference":"OPERA29","MW":177.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.38","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.85,13","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.81","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"27314-97-2"}
{"Compound":"Tirilazad","CAS":"110101-66-1","CAS.Checksum":true,"DTXSID":"DTXSID30869521","Formula":"C38H52N6O2","All.Compound.Names":"Tirilazad|Dtxsid30869521|110101-66-1","logHenry":-5.3,"logHenry.Reference":"OPERA29","logP":5.11,"logP.Reference":"OPERA29","logWSol":-3.94,"logWSol.Reference":"OPERA29","MP":268,"MP.Reference":"OPERA29","MW":624.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.006","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"110101-66-1"}
{"Compound":"N-(Butane-1-sulfonyl)-O-[4-(piperidin-4-yl)butyl]tyrosine--hydrogen chloride (1/1)","CAS":"142373-60-2","CAS.Checksum":true,"DTXSID":"DTXSID70931418","Formula":"C22H37ClN2O5S","All.Compound.Names":"Tirofiban|N-(butane-1-sulfonyl)-o-[4-(piperidin-4-yl)butyl]tyrosine--hydrogen chloride (1/1)|Dtxsid70931418|142373-60-2","logHenry":-7.696,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.028,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.328,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.882,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.1,"MP.Reference":"EPA-CCD-OPERA","MW":477.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.36","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"142373-60-2"}
{"Compound":"Tizanidine","CAS":"51322-75-9","CAS.Checksum":true,"DTXSID":"DTXSID9023679","Formula":"C9H8ClN5S","All.Compound.Names":"Tizanidine|51322-75-9|Dtxsid9023679","logHenry":-8.031,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.126,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.855,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.838,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.8,"MP.Reference":"EPA-CCD-OPERA","MW":253.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.83","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.39,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.54,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.21,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.7","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"51322-75-9"}
{"Compound":"Tobramycin","CAS":"32986-56-4","CAS.Checksum":true,"DTXSID":"DTXSID8023680","Formula":"C18H37N5O9","All.Compound.Names":"Tobramycin|32986-56-4|Dtxsid8023680","logHenry":-10.64,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.905,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.5,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.066,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.6,"MP.Reference":"EPA-CCD-OPERA","MW":467.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.54,13.13,13.75","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"32986-56-4"}
{"Compound":"Tocainide","CAS":"41708-72-9","CAS.Checksum":true,"DTXSID":"DTXSID9040766","Formula":"C11H16N2O","All.Compound.Names":"Tocainide|41708-72-9|Dtxsid9040766","logHenry":-8.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7634,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.419,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.164,"logWSol.Reference":"EPA-CCD-OPERA","MP":255.7,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.02","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.65","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.95,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.94,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.89,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.87","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"41708-72-9"}
{"Compound":"Tofacitinib","CAS":"477600-75-2","CAS.Checksum":true,"DTXSID":"DTXSID90197271","Formula":"C16H20N6O","All.Compound.Names":"Tofacitinib|Dtxsid90197271|477600-75-2","logHenry":-8.925,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8109,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.577,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.064,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.2,"MP.Reference":"EPA-CCD-OPERA","MW":312.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.6","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"477600-75-2"}
{"Compound":"Tofogliflozin","CAS":"903565-83-3","CAS.Checksum":true,"DTXSID":"DTXSID90238097","Formula":"C22H26O6","All.Compound.Names":"Tofogliflozin|Dtxsid90238097|903565-83-3","logHenry":-9.938,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.503,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.926,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.953,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.1,"MP.Reference":"EPA-CCD-OPERA","MW":386.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.46","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"903565-83-3"}
{"Compound":"Tolamolol","CAS":"38103-61-6","CAS.Checksum":true,"DTXSID":"DTXSID4046230","Formula":"C19H24N2O4","All.Compound.Names":"Tolamolol|Dtxsid4046230|38103-61-6","logHenry":-10.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.218,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.114,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.89,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.8,"MP.Reference":"EPA-CCD-OPERA","MW":344.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.75","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"9.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"8","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.089","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"38103-61-6"}
{"Compound":"Tolcapone","CAS":"134308-13-7","CAS.Checksum":true,"DTXSID":"DTXSID3023685","Formula":"C14H11NO5","All.Compound.Names":"Tolcapone|134308-13-7|Dtxsid3023685","logHenry":-8.055,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.798,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.271,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.135,"logWSol.Reference":"EPA-CCD-OPERA","MP":193,"MP.Reference":"EPA-CCD-OPERA","MW":273.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"50.2,27.9,90.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"22,17.2,24.8,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.62,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.0133,0.00673,0.0291","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"134308-13-7"}
{"Compound":"Tolfenamic acid","CAS":"13710-19-5","CAS.Checksum":true,"DTXSID":"DTXSID1045409","Formula":"C14H12ClNO2","All.Compound.Names":"Tolfenamic acid|13710-19-5|Dtxsid1045409","logHenry":-9.744,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.167,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.069,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.522,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.3,"MP.Reference":"EPA-CCD-OPERA","MW":261.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"128","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.6,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.003","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"13710-19-5"}
{"Compound":"Toloxatone","CAS":"29218-27-7","CAS.Checksum":true,"DTXSID":"DTXSID40865478","Formula":"C11H13NO3","All.Compound.Names":"Toloxatone|29218-27-7|Dtxsid40865478","logHenry":-9.023,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.134,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.853,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.56,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.98,"MP.Reference":"EPA-CCD-OPERA","MW":207.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.51","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.61","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.56,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.49","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"29218-27-7"}
{"Compound":"Tolterodine","CAS":"124937-51-5","CAS.Checksum":true,"DTXSID":"DTXSID3023687","Formula":"C22H31NO","All.Compound.Names":"Tolterodine|(r)-(+)-tolterodine|124937-51-5|Dtxsid3023687","logHenry":-9.016,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.915,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.849,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.174,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.84,"MP.Reference":"EPA-CCD-OPERA","MW":325.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.81","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Mouse|Rat|Dog","Dog.Foral":0.605,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"30","Human.Clint.Reference":"Williamson 2020","Human.Fabs":0.77,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.53,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.63,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.26,"Human.Foral.Reference":"Varma 2010","Human.Funbound.plasma":"0.037","Human.Funbound.plasma.Reference":"Lombardo 2018","Mouse.Foral":0.1415,"Mouse.Foral.Reference":"Musther 2014","Rat.Foral":0.11,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"124937-51-5"}
{"Compound":"Tolvaptan","CAS":"150683-30-0","CAS.Checksum":true,"DTXSID":"DTXSID3048780","Formula":"C26H25ClN2O3","All.Compound.Names":"Tolvaptan|Dtxsid3048780|150683-30-0","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.756,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.915,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.565,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.9,"MP.Reference":"EPA-CCD-OPERA","MW":449,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.82","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"22","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"150683-30-0"}
{"Compound":"Tomopenem","CAS":"222400-20-6","CAS.Checksum":true,"DTXSID":"DTXSID70873384","Formula":"C23H35N7O6S","All.Compound.Names":"Tomopenem|Dtxsid70873384|222400-20-6","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.01334,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.556,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.721,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.9,"MP.Reference":"EPA-CCD-OPERA","MW":537.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.91","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"222400-20-6"}
{"Compound":"Tonapofylline","CAS":"340021-17-2","CAS.Checksum":true,"DTXSID":"DTXSID30187611","Formula":"C22H32N4O4","All.Compound.Names":"Tonapofylline|Dtxsid30187611|340021-17-2","logHenry":-7.816,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.746,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.94,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.653,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.8,"MP.Reference":"EPA-CCD-OPERA","MW":416.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.51","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.1","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"340021-17-2"}
{"Compound":"Topiramate","CAS":"97240-79-4","CAS.Checksum":true,"DTXSID":"DTXSID8023688","Formula":"C12H21NO8S","All.Compound.Names":"Topiramate|97240-79-4|Dtxsid8023688","logHenry":-8.033,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2649,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.085,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4973,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.26,"MP.Reference":"EPA-CCD-OPERA","MW":339.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"30.9,13.7,69.6","Human.Caco2.Pab.Reference":"Lanevskij","Human.Foral":0.7,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.72","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"97240-79-4"}
{"Compound":"Topotecan","CAS":"123948-87-8","CAS.Checksum":true,"DTXSID":"DTXSID3042685","Formula":"C23H23N3O5","All.Compound.Names":"Topotecan|123948-87-8|Dtxsid3042685","logHenry":-9.434,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.789,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.872,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.673,"logWSol.Reference":"EPA-CCD-OPERA","MP":207,"MP.Reference":"EPA-CCD-OPERA","MW":421.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.24","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8,11.72","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.32,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.65","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"123948-87-8"}
{"Compound":"Torsemide","CAS":"56211-40-6","CAS.Checksum":true,"DTXSID":"DTXSID2023690","Formula":"C16H20N4O3S","All.Compound.Names":"Torsemide|56211-40-6|Dtxsid2023690","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.366,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.981,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.759,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.5,"MP.Reference":"EPA-CCD-OPERA","MW":348.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.73","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.77,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.96,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.91,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.9271,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"56211-40-6"}
{"Compound":"Trabectedin","CAS":"114899-77-3","CAS.Checksum":true,"DTXSID":"DTXSID2046880","Formula":"C39H43N3O11S","All.Compound.Names":"Trabectedin|Dtxsid2046880|114899-77-3","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.423,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.135,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.924,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.1,"MP.Reference":"EPA-CCD-OPERA","MW":761.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.66,5.11","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"9.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.06","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"114899-77-3"}
{"Compound":"Tramadol","CAS":"27203-92-5","CAS.Checksum":true,"DTXSID":"DTXSID90858931","Formula":"C16H25NO2","All.Compound.Names":"Tramadol|27203-92-5|Dtxsid90858931","logHenry":-5.952,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.512,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.425,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.053,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.7,"MP.Reference":"EPA-CCD-OPERA","MW":263.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.69","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.80","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat|Dog","Dog.Foral":0.65,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.76,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.8","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.03,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.324,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"27203-92-5"}
{"Compound":"Trametinib","CAS":"871700-17-3","CAS.Checksum":true,"DTXSID":"DTXSID901007381","Formula":"C26H23FIN5O4","All.Compound.Names":"Trametinib|N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2h)-yl]phenyl}ethanimidic acid|Dtxsid901007381|871700-17-3","logHenry":-10.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.796,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.772,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.651,"logWSol.Reference":"EPA-CCD-OPERA","MP":225.4,"MP.Reference":"EPA-CCD-OPERA","MW":615.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.03","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"871700-17-3"}
{"Compound":"Trandolapril","CAS":"87679-37-6","CAS.Checksum":true,"DTXSID":"DTXSID2023692","Formula":"C24H34N2O5","All.Compound.Names":"Trandolapril|87679-37-6|Dtxsid2023692","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.793,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.764,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.832,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.1,"MP.Reference":"EPA-CCD-OPERA","MW":430.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.1,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.17","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"87679-37-6"}
{"Compound":"Tranexamic acid","CAS":"1197-18-8","CAS.Checksum":true,"DTXSID":"DTXSID3045350","Formula":"C8H15NO2","All.Compound.Names":"Tranexamic acid|1197-18-8|Dtxsid3045350","logHenry":-7.507,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.11,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.96,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.02632,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.6,"MP.Reference":"EPA-CCD-OPERA","MW":157.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.22","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"3.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"7.83,3.48,17.6","Human.Caco2.Pab.Reference":"ChEMBL","Human.Foral":0.34,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.97","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1197-18-8"}
{"Compound":"Traxoprodil","CAS":"134234-12-1","CAS.Checksum":true,"DTXSID":"DTXSID90158605","Formula":"C20H25NO3","All.Compound.Names":"Traxoprodil|Dtxsid90158605|134234-12-1","logHenry":-8.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.257,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.022,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.008,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.6,"MP.Reference":"EPA-CCD-OPERA","MW":327.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.63","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"134234-12-1"}
{"Compound":"Trazodone","CAS":"19794-93-5","CAS.Checksum":true,"DTXSID":"DTXSID5045043","Formula":"C19H22ClN5O","All.Compound.Names":"Trazodone|19794-93-5|Dtxsid5045043","logHenry":-7.925,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.416,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.287,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.034,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.05,"MP.Reference":"EPA-CCD-OPERA","MW":371.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7.399","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.82,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.94,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.93,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.08","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.81,"Human.Rblood2plasma.Reference":"Paixao 2012","Rat.Foral":0.2721,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"19794-93-5"}
{"Compound":"Treprostinil","CAS":"81846-19-7","CAS.Checksum":true,"DTXSID":"DTXSID901021654","Formula":"C23H34O5","All.Compound.Names":"Treprostinil|81846-19-7","logHenry":-10.31,"logHenry.Reference":"OPERA29","logP":4.1,"logP.Reference":"OPERA29","logWSol":-4.73,"logWSol.Reference":"OPERA29","MP":167,"MP.Reference":"OPERA29","MW":390.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.09","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"81846-19-7"}
{"Compound":"Triamcinolone acetonide","CAS":"76-25-5","CAS.Checksum":true,"DTXSID":"DTXSID6021371","Formula":"C24H31FO6","All.Compound.Names":"Triamcinolone acetonide|76-25-5|Dtxsid6021371","logHenry":-10.25,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.531,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.974,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.316,"logWSol.Reference":"EPA-CCD-OPERA","MP":292.8,"MP.Reference":"EPA-CCD-OPERA","MW":434.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.23,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.2","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"76-25-5"}
{"Compound":"Triamterene","CAS":"396-01-0","CAS.Checksum":true,"DTXSID":"DTXSID6021373","Formula":"C12H11N7","All.Compound.Names":"Triamterene|396-01-0|Dtxsid6021373","logHenry":-10.95,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9803,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.946,"logWSol.Reference":"EPA-CCD-OPERA","MP":315.9,"MP.Reference":"EPA-CCD-OPERA","MW":253.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.998","Human.Clint.pValue":0.9985,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.51,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.333,0.248,0.414","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"396-01-0"}
{"Compound":"Trimethoprim","CAS":"738-70-5","CAS.Checksum":true,"DTXSID":"DTXSID3023712","Formula":"C14H18N4O3","All.Compound.Names":"Trimethoprim|738-70-5|Dtxsid3023712","logHenry":-7.783,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9101,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.428,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.876,"logWSol.Reference":"EPA-CCD-OPERA","MP":201,"MP.Reference":"EPA-CCD-OPERA","MW":290.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.97,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.83,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.95,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.65,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.5","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":1.03,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"738-70-5"}
{"Compound":"Trimetrexate","CAS":"52128-35-5","CAS.Checksum":true,"DTXSID":"DTXSID3023714","Formula":"C19H23N5O3","All.Compound.Names":"Trimetrexate|52128-35-5|Dtxsid3023714","logHenry":-9.896,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.55,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.842,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.377,"logWSol.Reference":"EPA-CCD-OPERA","MP":216,"MP.Reference":"EPA-CCD-OPERA","MW":369.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.45,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"52128-35-5"}
{"Compound":"Trimipramine","CAS":"739-71-9","CAS.Checksum":true,"DTXSID":"DTXSID8023715","Formula":"C20H26N2","All.Compound.Names":"Trimipramine|739-71-9|Dtxsid8023715","logHenry":-5.308,"logHenry.Reference":"EPA-CCD-OPERA","logMA":4.74,"logMA.Reference":"Endo 2011","logP":4.845,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.978,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.755,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.32,"MP.Reference":"EPA-CCD-OPERA","MW":294.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"58.41","Human.Clint.Reference":"Wood 2017","Human.Foral":0.4,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.051","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"739-71-9"}
{"Compound":"Trospectomycin","CAS":"88669-04-9","CAS.Checksum":true,"DTXSID":"DTXSID20869010","Formula":"C17H30N2O7","All.Compound.Names":"Trospectomycin|Dtxsid20869010|88669-04-9","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2213,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.254,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.935,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.1,"MP.Reference":"EPA-CCD-OPERA","MW":374.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.12","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.58,13.25,13.93","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.65","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"88669-04-9"}
{"Compound":"Trospium","CAS":"47608-32-2","CAS.Checksum":true,"DTXSID":"DTXSID6048337","Formula":"C25H30NO3","All.Compound.Names":"Trospium|Dtxsid6048337|47608-32-2","logHenry":-9.88,"logHenry.Reference":"OPERA29","logP":3.84,"logP.Reference":"OPERA29","logWSol":-6.77,"logWSol.Reference":"OPERA29","MP":125,"MP.Reference":"OPERA29","MW":392.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.33","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"47608-32-2"}
{"Compound":"Trovafloxacin","CAS":"147059-72-1","CAS.Checksum":true,"DTXSID":"DTXSID0041145","Formula":"C20H15F3N4O3","All.Compound.Names":"Trovafloxacin|147059-72-1|Dtxsid0041145","logHenry":-9.485,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3094,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.226,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.528,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.1,"MP.Reference":"EPA-CCD-OPERA","MW":416.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.5","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog|Monkey","Dog.Foral":0.58,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"30.2,13.4,68","Human.Caco2.Pab.Reference":"Lanevskij","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.98,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.95,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.91,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.24","Human.Funbound.plasma.Reference":"Lombardo 2018","Monkey.Foral":0.85,"Monkey.Foral.Reference":"Musther 2014","Rat.Foral":0.68,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"147059-72-1"}
{"Compound":"Tubocurarine","CAS":"57-94-3","CAS.Checksum":true,"DTXSID":"DTXSID2023727","Formula":"C37H42Cl2N2O6","All.Compound.Names":"Tubocurarine|(+)-tubocurarine chloride hydrochloride|Dtxsid2023727|57-94-3","logHenry":-8.967,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.146,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.594,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.842,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.7,"MP.Reference":"EPA-CCD-OPERA","MW":681.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.05","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"8.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.58","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"57-94-3"}
{"Compound":"Tzp 101","CAS":"842131-33-3","CAS.Checksum":true,"DTXSID":"DTXSID00233139","Formula":"C30H39FN4O4","All.Compound.Names":"Tzp 101|Ulimorelin|Dtxsid00233139|842131-33-3","logHenry":-10.99,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.476,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.043,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.423,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.3,"MP.Reference":"EPA-CCD-OPERA","MW":538.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"26.92","Human.Clint.Reference":"Dawson 2021","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"842131-33-3"}
{"Compound":"Uk-240,455","CAS":"178908-09-3","CAS.Checksum":true,"DTXSID":"DTXSID30873385","Formula":"C11H11Cl2N3O5S","All.Compound.Names":"Uk-240,455|Uk 240455|Dtxsid30873385|178908-09-3","logHenry":-10.85,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7086,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.617,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.723,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.1,"MP.Reference":"EPA-CCD-OPERA","MW":368.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.13","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"178908-09-3"}
{"Compound":"Umeclidinium","CAS":"869185-19-3","CAS.Checksum":true,"DTXSID":"DTXSID00235971","Formula":"C29H34NO2","All.Compound.Names":"Umeclidinium|Dtxsid00235971|869185-19-3","logHenry":-7.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.032,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.238,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.341,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.5,"MP.Reference":"EPA-CCD-OPERA","MW":428.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.11","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"869185-19-3"}
{"Compound":"Vaborbactam","CAS":"1360457-46-0","CAS.Checksum":true,"DTXSID":"DTXSID901027690","Formula":"C12H16BNO5S","All.Compound.Names":"Vaborbactam|1360457-46-0","logHenry":-9.84,"logHenry.Reference":"OPERA29","logP":1.43,"logP.Reference":"OPERA29","logWSol":-2.36,"logWSol.Reference":"OPERA29","MP":222,"MP.Reference":"OPERA29","MW":297.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.67","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1360457-46-0"}
{"Compound":"Valbenazine","CAS":"1025504-45-3","CAS.Checksum":true,"DTXSID":"DTXSID801026306","Formula":"C24H38N2O4","All.Compound.Names":"Valbenazine|1025504-45-3","logHenry":-7.73,"logHenry.Reference":"OPERA29","logP":3.15,"logP.Reference":"OPERA29","logWSol":-4.49,"logWSol.Reference":"OPERA29","MP":144,"MP.Reference":"OPERA29","MW":418.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1025504-45-3"}
{"Compound":"Valdecoxib","CAS":"181695-72-7","CAS.Checksum":true,"DTXSID":"DTXSID6044226","Formula":"C16H14N2O3S","All.Compound.Names":"Valdecoxib|181695-72-7|Dtxsid6044226","logHenry":-8.129,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.316,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.629,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.027,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.7,"MP.Reference":"EPA-CCD-OPERA","MW":314.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.83,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"181695-72-7"}
{"Compound":"Valsartan","CAS":"137862-53-4","CAS.Checksum":true,"DTXSID":"DTXSID6023735","Formula":"C24H29N5O3","All.Compound.Names":"Valsartan|137862-53-4|Dtxsid6023735","logHenry":-7.71,"logHenry.Reference":"OPERA29","logP":1.97,"logP.Reference":"OPERA29","logWSol":-3.39,"logWSol.Reference":"OPERA29","MP":117,"MP.Reference":"OPERA29","MW":435.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.55,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.72,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.24,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.04","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"137862-53-4"}
{"Compound":"Valspodar","CAS":"121584-18-7","CAS.Checksum":true,"DTXSID":"DTXSID90873386","Formula":"C63H111N11O12","All.Compound.Names":"Valspodar|Dtxsid90873386|121584-18-7","logHenry":-12.03,"logHenry.Reference":"OPERA29","logP":2.8,"logP.Reference":"OPERA29","logWSol":-3.69,"logWSol.Reference":"OPERA29","MP":170,"MP.Reference":"OPERA29","MW":1215,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.022","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"121584-18-7"}
{"Compound":"Vancomycin","CAS":"1404-90-6","CAS.Checksum":true,"DTXSID":"DTXSID0042664","Formula":"C66H75Cl2N9O24","All.Compound.Names":"Vancomycin|1404-90-6|Dtxsid0042664","logHenry":-10.57,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.246,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.4,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.616,"logWSol.Reference":"EPA-CCD-OPERA","MP":357,"MP.Reference":"OPERA29","MW":1449,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.05,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.05,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.7","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"1404-90-6"}
{"Compound":"Vardenafil","CAS":"224785-90-4","CAS.Checksum":true,"DTXSID":"DTXSID3048318","Formula":"C23H32N6O4S","All.Compound.Names":"Vardenafil|224785-90-4|Dtxsid3048318","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.208,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.101,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.266,"logWSol.Reference":"EPA-CCD-OPERA","MP":221,"MP.Reference":"EPA-CCD-OPERA","MW":488.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.21,2.14","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"6.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.273,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.37,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.43,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.15,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.05","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.0998,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"224785-90-4"}
{"Compound":"Vecuronium bromide","CAS":"50700-72-6","CAS.Checksum":true,"DTXSID":"DTXSID1023736","Formula":"C34H57BrN2O4","All.Compound.Names":"Vecuronium bromide|Dtxsid1023736|50700-72-6","logHenry":-6.568,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.042,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.635,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.398,"logWSol.Reference":"EPA-CCD-OPERA","MP":228,"MP.Reference":"EPA-CCD-OPERA","MW":637.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.25","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"50700-72-6"}
{"Compound":"Venlafaxine","CAS":"93413-69-5","CAS.Checksum":true,"DTXSID":"DTXSID6023737","Formula":"C17H27NO2","All.Compound.Names":"Venlafaxine|93413-69-5|Dtxsid6023737","logHenry":-5.682,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.129,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.445,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.901,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.4,"MP.Reference":"EPA-CCD-OPERA","MW":277.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.4","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.42","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat|Dog|Monkey","Dog.Foral":0.598,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1","Human.Clint.Reference":"Williamson 2020","Human.Fabs":0.97,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.03,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.42,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.45,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.73","Human.Funbound.plasma.Reference":"Lombardo 2018","Monkey.Foral":0.065,"Monkey.Foral.Reference":"Musther 2014","Rat.Foral":0.126,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"93413-69-5"}
{"Compound":"Verlukast","CAS":"115104-28-4","CAS.Checksum":true,"DTXSID":"DTXSID5048390","Formula":"C26H27ClN2O3S2","All.Compound.Names":"Verlukast|Mk-571|115104-28-4","logHenry":-8.265,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.984,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.584,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.302,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.3,"MP.Reference":"EPA-CCD-OPERA","MW":515.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.11","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"3.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"4e-04","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"120443-16-5"}
{"Compound":"Vilanterol","CAS":"503068-34-6","CAS.Checksum":true,"DTXSID":"DTXSID80198318","Formula":"C24H33Cl2NO5","All.Compound.Names":"Vilanterol|Dtxsid80198318|503068-34-6","logHenry":-11.19,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.23,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.064,"logWSol.Reference":"EPA-CCD-OPERA","MP":170,"MP.Reference":"EPA-CCD-OPERA","MW":486.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.06","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"503068-34-6"}
{"Compound":"Vilazodone","CAS":"163521-12-8","CAS.Checksum":true,"DTXSID":"DTXSID80870086","Formula":"C26H27N5O2","All.Compound.Names":"Vilazodone|Dtxsid80870086|163521-12-8","logHenry":-7.657,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.503,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.208,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.73,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.7,"MP.Reference":"EPA-CCD-OPERA","MW":441.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.19","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.03","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"163521-12-8"}
{"Compound":"Vildagliptin","CAS":"274901-16-5","CAS.Checksum":true,"DTXSID":"DTXSID80881091","Formula":"C17H25N3O2","All.Compound.Names":"Vildagliptin|274901-16-5|Dtxsid80881091","logHenry":-7.24,"logHenry.Reference":"OPERA29","logP":0.66,"logP.Reference":"OPERA29","logWSol":-2.24,"logWSol.Reference":"OPERA29","MP":189,"MP.Reference":"OPERA29","MW":303.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.85,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.8851","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"274901-16-5"}
{"Compound":"Vinblastine","CAS":"865-21-4","CAS.Checksum":true,"DTXSID":"DTXSID8021430","Formula":"C46H58N4O9","All.Compound.Names":"Vinblastine|865-21-4|Dtxsid8021430","logHenry":-7.964,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.921,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.621,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.6,"MP.Reference":"EPA-CCD-OPERA","MW":811,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.86,8.26","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"9.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.175,0.0345,0.888","Human.Caco2.Pab.Reference":"Obringer,ChEMBL","Human.Fabs":0.05,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.14","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"865-21-4"}
{"Compound":"Vincristine","CAS":"57-22-7","CAS.Checksum":true,"DTXSID":"DTXSID1032278","Formula":"C46H56N4O10","All.Compound.Names":"Vincristine|Dtxsid1032278|57-22-7","logHenry":-8.007,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.333,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.274,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.17,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.9,"MP.Reference":"EPA-CCD-OPERA","MW":825,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.66,8.02","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"9.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.4","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"57-22-7"}
{"Compound":"Vinorelbine","CAS":"71486-22-1","CAS.Checksum":true,"DTXSID":"DTXSID8040640","Formula":"C45H54N4O8","All.Compound.Names":"Vinorelbine|71486-22-1|Dtxsid8040640","logHenry":-8.105,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.785,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.009,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.607,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.2,"MP.Reference":"EPA-CCD-OPERA","MW":778.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.72,7.99","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"10.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Williamson 2020","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.87","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.58,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"71486-22-1"}
{"Compound":"Vinpocetine","CAS":"42971-09-5","CAS.Checksum":true,"DTXSID":"DTXSID5023740","Formula":"C22H26N2O2","All.Compound.Names":"Vinpocetine|42971-09-5|Dtxsid5023740","logHenry":-7.808,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.938,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.78,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.225,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.5,"MP.Reference":"EPA-CCD-OPERA","MW":350.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.000936","Human.Clint.Reference":"Paixao 2012","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.57,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"42971-09-5"}
{"Compound":"Vismodegib","CAS":"879085-55-9","CAS.Checksum":true,"DTXSID":"DTXSID40236689","Formula":"C19H14Cl2N2O3S","All.Compound.Names":"Vismodegib|Dtxsid40236689|879085-55-9","logHenry":-8.885,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.75,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.494,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.468,"logWSol.Reference":"EPA-CCD-OPERA","MP":206,"MP.Reference":"EPA-CCD-OPERA","MW":421.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"879085-55-9"}
{"Compound":"Vorapaxar","CAS":"618385-01-6","CAS.Checksum":true,"DTXSID":"DTXSID201009336","Formula":"C29H33FN2O4","All.Compound.Names":"Vorapaxar|Dtxsid201009336|618385-01-6","logHenry":-7.394,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.514,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.677,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.096,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.4,"MP.Reference":"EPA-CCD-OPERA","MW":492.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"618385-01-6"}
{"Compound":"Voriconazole","CAS":"137234-62-9","CAS.Checksum":true,"DTXSID":"DTXSID5046485","Formula":"C16H14F3N5O","All.Compound.Names":"Voriconazole|137234-62-9|Dtxsid5046485","logHenry":-9.019,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.095,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.285,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.316,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.9,"MP.Reference":"EPA-CCD-OPERA","MW":349.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.22","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.71","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.96,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.42","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"137234-62-9"}
{"Compound":"Vorinostat","CAS":"149647-78-9","CAS.Checksum":true,"DTXSID":"DTXSID6041133","Formula":"C14H20N2O3","All.Compound.Names":"Vorinostat|Suberoylanilide hydroxamic acid|149647-78-9|Dtxsid6041133","logHenry":-9.765,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.346,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.907,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.825,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.9,"MP.Reference":"EPA-CCD-OPERA","MW":264.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"4.85,2.15,10.9","Human.Caco2.Pab.Reference":"ChEMBL","Human.Foral":0.43,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.29","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"149647-78-9"}
{"Compound":"Vortioxetine","CAS":"508233-74-7","CAS.Checksum":true,"DTXSID":"DTXSID80965062","Formula":"C18H22N2S","All.Compound.Names":"Vortioxetine|Dtxsid80965062|508233-74-7","logHenry":-9.059,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.377,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.221,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.538,"logWSol.Reference":"EPA-CCD-OPERA","MP":153,"MP.Reference":"EPA-CCD-OPERA","MW":298.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"508233-74-7"}
{"Compound":"Xamoterol","CAS":"81801-12-9","CAS.Checksum":true,"DTXSID":"DTXSID8045222","Formula":"C16H25N3O5","All.Compound.Names":"Xamoterol|81801-12-9|Dtxsid8045222","logHenry":-9.883,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.09644,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.511,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7822,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.7,"MP.Reference":"EPA-CCD-OPERA","MW":339.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.76","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"9.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.2316,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.05,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.05,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.95,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.07,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.97","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"81801-12-9"}
{"Compound":"Xk469r","CAS":"157435-10-4","CAS.Checksum":true,"DTXSID":"DTXSID101031356","Formula":"C17H13ClN2O4","All.Compound.Names":"Xk469r|2-(4-((7-chloro-2-quinoxalinyl)oxy)phenoxy)propanoic acid|157435-10-4","logHenry":-9.04,"logHenry.Reference":"OPERA29","logP":3.5,"logP.Reference":"OPERA29","logWSol":-5.26,"logWSol.Reference":"OPERA29","MP":195,"MP.Reference":"OPERA29","MW":344.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.0036","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"157435-10-4"}
{"Compound":"Xr5000","CAS":"89459-25-6","CAS.Checksum":true,"DTXSID":"DTXSID60237739","Formula":"C18H19N3O","All.Compound.Names":"Xr5000|N-(2'-(dimethylamino)ethyl)acridine-4-carboxamide|Dtxsid60237739|89459-25-6","logHenry":-9.612,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.052,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.44,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.679,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.7,"MP.Reference":"EPA-CCD-OPERA","MW":293.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.03","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"89459-25-6"}
{"Compound":"Yohimbine","CAS":"146-48-5","CAS.Checksum":true,"DTXSID":"DTXSID9040130","Formula":"C21H26N2O3","All.Compound.Names":"Yohimbine|146-48-5|Dtxsid9040130","logHenry":-8.215,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.538,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.964,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.727,"logWSol.Reference":"EPA-CCD-OPERA","MP":250.7,"MP.Reference":"EPA-CCD-OPERA","MW":354.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.33,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.2","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"146-48-5"}
{"Compound":"Zalcitabine","CAS":"7481-89-2","CAS.Checksum":true,"DTXSID":"DTXSID0023747","Formula":"C9H13N3O3","All.Compound.Names":"Zalcitabine|2',3'-dideoxycytidine|7481-89-2|Dtxsid0023747","logHenry":-7.944,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.3,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4426,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.5,"MP.Reference":"EPA-CCD-OPERA","MW":211.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.32","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.67","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Mouse","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.93,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.95,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.88,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.96","Human.Funbound.plasma.Reference":"Lombardo 2018","Mouse.Foral":0.3,"Mouse.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"7481-89-2"}
{"Compound":"Zaleplon","CAS":"151319-34-5","CAS.Checksum":true,"DTXSID":"DTXSID5023748","Formula":"C17H15N5O","All.Compound.Names":"Zaleplon|151319-34-5|Dtxsid5023748","logHenry":-7.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.231,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.047,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.7,"MP.Reference":"EPA-CCD-OPERA","MW":305.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.843","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.02,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.3,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.4","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.99,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"151319-34-5"}
{"Compound":"Zanamivir","CAS":"139110-80-8","CAS.Checksum":true,"DTXSID":"DTXSID0023749","Formula":"C12H20N4O7","All.Compound.Names":"Zanamivir|139110-80-8|Dtxsid0023749","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.324,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.89,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.516,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.4,"MP.Reference":"EPA-CCD-OPERA","MW":332.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.91","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"-0.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Mouse","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.11,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.28,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.02,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.86","Human.Funbound.plasma.Reference":"Lombardo 2018","Mouse.Foral":0.03,"Mouse.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"139110-80-8"}
{"Compound":"Zd-9331","CAS":"153537-73-6","CAS.Checksum":true,"DTXSID":"DTXSID10165351","Formula":"C26H25FN8O4","All.Compound.Names":"Zd-9331|Plevitrexed|Dtxsid10165351|153537-73-6","logHenry":-10.97,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.06308,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.553,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.911,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.2,"MP.Reference":"EPA-CCD-OPERA","MW":532.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.48","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"1.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"153537-73-6"}
{"Compound":"Ziconotide","CAS":"107452-89-1","CAS.Checksum":true,"DTXSID":"DTXSID60883174","Formula":"C102H172N36O32S7","All.Compound.Names":"Ziconotide","MW":2639,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.5","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"107452-89-1"}
{"Compound":"Zimelidine","CAS":"56775-88-3","CAS.Checksum":true,"DTXSID":"DTXSID6048462","Formula":"C16H17BrN2","All.Compound.Names":"Zimelidine|Zimeldine|56775-88-3|Dtxsid6048462","logHenry":-7.946,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.861,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.8,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.309,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.5,"MP.Reference":"EPA-CCD-OPERA","MW":317.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.29,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.086","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"56775-88-3"}
{"Compound":"Ziprasidone","CAS":"146939-27-7","CAS.Checksum":true,"DTXSID":"DTXSID4023753","Formula":"C21H21ClN4OS","All.Compound.Names":"Ziprasidone|146939-27-7|Dtxsid4023753","logHenry":-8.225,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.762,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.445,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.73,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.5,"MP.Reference":"EPA-CCD-OPERA","MW":412.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.83","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.18,14.89","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"12.3,5.46,27.7","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"15","Human.Clint.Reference":"Williamson 2020","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.85,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.78,"Human.Fhep.Reference":"Varma 2010","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.0012","Human.Funbound.plasma.Reference":"Lombardo 2018","Human.Rblood2plasma":0.81,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"146939-27-7"}
{"Compound":"Ziracin","CAS":"109545-84-8","CAS.Checksum":true,"DTXSID":"DTXSID60883194","Formula":"C70H97Cl2NO38","All.Compound.Names":"Ziracin|Evernimicin","MW":1631,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.04","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"109545-84-8"}
{"Compound":"Zoledronic acid","CAS":"118072-93-8","CAS.Checksum":true,"DTXSID":"DTXSID0042668","Formula":"C5H10N2O7P2","All.Compound.Names":"Zoledronic acid|Zoledronate|Dtxsid0042668|118072-93-8","logHenry":-8.645,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.279,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.76,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.004,"logWSol.Reference":"EPA-CCD-OPERA","MP":221.7,"MP.Reference":"EPA-CCD-OPERA","MW":272.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.67","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"3.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.78","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"118072-93-8"}
{"Compound":"Zolmitriptan","CAS":"139264-17-8","CAS.Checksum":true,"DTXSID":"DTXSID8045933","Formula":"C16H21N3O2","All.Compound.Names":"Zolmitriptan|139264-17-8|Dtxsid8045933","logHenry":-9.045,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.501,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.782,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.399,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.1,"MP.Reference":"EPA-CCD-OPERA","MW":287.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.81","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.79,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.92,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.53,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.8,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.45,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.75","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.41,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"139264-17-8"}
{"Compound":"Zoniporide","CAS":"241800-98-6","CAS.Checksum":true,"DTXSID":"DTXSID0057883","Formula":"C17H16N6O","All.Compound.Names":"Zoniporide|Dtxsid0057883|241800-98-6","logHenry":-10.38,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.849,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.452,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.602,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.4,"MP.Reference":"EPA-CCD-OPERA","MW":320.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.34","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"241800-98-6"}
{"Compound":"Zopiclone","CAS":"43200-80-2","CAS.Checksum":true,"DTXSID":"DTXSID4041155","Formula":"C17H17ClN6O3","All.Compound.Names":"Zopiclone|43200-80-2|Dtxsid4041155","logHenry":-9.243,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.8,"logMA.Reference":"Endo 2011","logP":2.236,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.451,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.589,"logWSol.Reference":"EPA-CCD-OPERA","MP":178,"MP.Reference":"EPA-CCD-OPERA","MW":388.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.56","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.04","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Rat|Dog","Dog.Foral":1,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.93,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.86,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.8,"Human.Foral.Reference":"Varma 2010","Human.Funbound.plasma":"0.2","Human.Funbound.plasma.Reference":"Lombardo 2018","Rat.Foral":0.44,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"43200-80-2"}
{"Compound":"Zotarolimus","CAS":"221877-54-9","CAS.Checksum":true,"DTXSID":"DTXSID50873387","Formula":"C52H79N5O12","All.Compound.Names":"Zotarolimus|Dtxsid50873387|221877-54-9","logHenry":-9.786,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.224,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.853,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.24,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.7,"MP.Reference":"EPA-CCD-OPERA","MW":966.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.26","Human.Funbound.plasma.Reference":"Lombardo 2018","Chemical.Class":"","_row":"221877-54-9"}
{"Compound":"Acrylamide","CAS":"79-06-1","CAS.Checksum":true,"DTXSID":"DTXSID5020027","Formula":"C3H5NO","All.Compound.Names":"Acrylamide|Dtxsid5020027|79-06-1","logHenry":-7.605,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6705,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.959,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9537,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.51,"MP.Reference":"EPA-CCD-OPERA","MW":71.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.83","pKa_Accept.Reference":"TNO","pKa_Donor":"9.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"32.4,14.4,72.9","Human.Caco2.Pab.Reference":"Lanevskij","Human.Rblood2plasma":0.8238,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"79-06-1"}
{"Compound":"Methoxyacetic acid","CAS":"625-45-6","CAS.Checksum":true,"DTXSID":"DTXSID1031591","Formula":"C3H6O3","All.Compound.Names":"Methoxyacetic acid|Dtxsid1031591|625-45-6","logHenry":-7.196,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6379,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.73,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.044,"logWSol.Reference":"EPA-CCD-OPERA","MP":7.73,"MP.Reference":"EPA-CCD-OPERA","MW":90.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"625-45-6"}
{"Compound":"4'-Hydroxydiclofenac","CAS":"64118-84-9","CAS.Checksum":true,"DTXSID":"DTXSID40214326","Formula":"C14H11Cl2NO3","All.Compound.Names":"Diclofenac|4'-hydroxydiclofenac|Dtxsid40214326|64118-84-9","logHenry":-9.039,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.709,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.578,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.189,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.8,"MP.Reference":"EPA-CCD-OPERA","MW":312.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6.6E-3","Human.Clint.Reference":"Ito/Riley","Human.Funbound.plasma":"1.7000000000000001E-2","Human.Funbound.plasma.Reference":"Ito/Riley","Human.Rblood2plasma":0.6986,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"64118-84-9"}
{"Compound":"2,5-hexanedione","CAS":"110-13-4","CAS.Checksum":true,"DTXSID":"DTXSID8030138","Formula":"C6H10O2","All.Compound.Names":"2,5-hexanedione|Dtxsid8030138","logHenry":-6.183,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2669,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.992,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.05837,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.666,"MP.Reference":"EPA-CCD-OPERA","MW":114.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.93","Human.Funbound.plasma.Reference":"ECVAM","Human.Rblood2plasma":0.6857,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"110-13-4"}
{"Compound":"Benzene","CAS":"71-43-2","CAS.Checksum":true,"DTXSID":"DTXSID3039242","Formula":"C6H6","All.Compound.Names":"Benzene|Dtxsid3039242","logHenry":-2.258,"logHenry.Reference":"EPA-CCD-OPERA","logMA":2.02,"logMA.Reference":"Endo 2011","logP":2.131,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6945,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.645,"logWSol.Reference":"EPA-CCD-OPERA","MP":4.455,"MP.Reference":"EPA-CCD-OPERA","MW":78.11,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.34","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.46","Human.Funbound.plasma.Reference":"ECVAM","Human.Rblood2plasma":0.9146,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"18.11","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.5121","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"71-43-2"}
{"Compound":"Deltamethrin","CAS":"52918-63-5","CAS.Checksum":true,"DTXSID":"DTXSID8020381","Formula":"C22H19Br2NO3","All.Compound.Names":"Deltamethrin|Dtxsid8020381","logHenry":-8.728,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.488,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.731,"logWSol.Reference":"EPA-CCD-OPERA","MP":99.94,"MP.Reference":"EPA-CCD-OPERA","MW":505.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.62","pKa_Donor.Reference":"TNO","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"ECVAM","Human.Rblood2plasma":0.6718,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"7","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.049","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"52918-63-5"}
{"Compound":"Diethylene glycol","CAS":"111-46-6","CAS.Checksum":true,"DTXSID":"DTXSID8020462","Formula":"C4H10O3","All.Compound.Names":"Diethylene glycol|Dtxsid8020462|111-46-6","logHenry":-8.529,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.094,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.224,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9739,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.42,"MP.Reference":"EPA-CCD-OPERA","MW":106.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.06","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.82,15.42","pKa_Donor.Reference":"TNO","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.97","Human.Funbound.plasma.Reference":"ECVAM","Human.Rblood2plasma":0.6319,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"111-46-6"}
{"Compound":"Diquat","CAS":"2764-72-9","CAS.Checksum":true,"DTXSID":"DTXSID6034554","Formula":"C12H12N2","All.Compound.Names":"Diquat|Dtxsid6034554|2764-72-9","logHenry":-3.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.758,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.613,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5493,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.6,"MP.Reference":"EPA-CCD-OPERA","MW":184.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.59","Human.Funbound.plasma.Reference":"ECVAM","Human.Rblood2plasma":0.8886,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"2764-72-9"}
{"Compound":"Domoic acid","CAS":"14277-97-5","CAS.Checksum":true,"DTXSID":"DTXSID20274180","Formula":"C15H21NO6","All.Compound.Names":"Domoic acid|L-domoic acid|Dtxsid20274180|14277-97-5","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4557,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.845,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9899,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.3,"MP.Reference":"EPA-CCD-OPERA","MW":311.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.83","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.92","Human.Funbound.plasma.Reference":"ECVAM","Human.Rblood2plasma":0.6968,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"14277-97-5"}
{"Compound":"Glycidamide","CAS":"5694-00-8","CAS.Checksum":true,"DTXSID":"DTXSID2031374","Formula":"C3H5NO2","All.Compound.Names":"Glycidamide|Dtxsid2031374|5694-00-8","logHenry":-7.852,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5305,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.451,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6994,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.11,"MP.Reference":"EPA-CCD-OPERA","MW":87.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.98","Human.Funbound.plasma.Reference":"ECVAM","Human.Rblood2plasma":0.614,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"5694-00-8"}
{"Compound":"Gossypol","CAS":"303-45-7","CAS.Checksum":true,"DTXSID":"DTXSID5023110","Formula":"C30H30O8","All.Compound.Names":"Gossypol|Dtxsid5023110|303-45-7","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.59,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.956,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.159,"logWSol.Reference":"EPA-CCD-OPERA","MP":250.5,"MP.Reference":"EPA-CCD-OPERA","MW":518.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"ECVAM","Human.Rblood2plasma":0.6718,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"303-45-7"}
{"Compound":"Hexachlorobenzene","CAS":"118-74-1","CAS.Checksum":true,"DTXSID":"DTXSID2020682","Formula":"C6Cl6","All.Compound.Names":"Hexachlorobenzene|Dtxsid2020682","logHenry":-2.771,"logHenry.Reference":"EPA-CCD-OPERA","logMA":5.33,"logMA.Reference":"Endo 2011","logP":5.729,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.645,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.676,"logWSol.Reference":"EPA-CCD-OPERA","MP":231.6,"MP.Reference":"EPA-CCD-OPERA","MW":284.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"ECVAM","Human.Rblood2plasma":0.6718,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"118-74-1"}
{"Compound":"Hexachlorophene","CAS":"70-30-4","CAS.Checksum":true,"DTXSID":"DTXSID6020690","Formula":"C13H6Cl6O2","All.Compound.Names":"Hexachlorophene|Dtxsid6020690|70-30-4","logHenry":-10.44,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.538,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.814,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.462,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.5,"MP.Reference":"EPA-CCD-OPERA","MW":406.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.9988,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"8.62e-09,1.71e-13,0.000781","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":0.8086,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"70-30-4"}
{"Compound":"Lead acetate","CAS":"6080-56-4","CAS.Checksum":true,"DTXSID":"DTXSID3031521","Formula":"C4H12O7Pb","All.Compound.Names":"Lead acetate|Lead(ii) acetate trihydrate|Dtxsid3031521|6080-56-4","logHenry":-7,"logHenry.Reference":"OPERA29","logP":-1.59,"logP.Reference":"OPERA29","logWSol":1.13,"logWSol.Reference":"OPERA29","MP":236,"MP.Reference":"OPERA29","MW":379.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.88","Human.Funbound.plasma.Reference":"ECVAM","Human.Rblood2plasma":0.7352,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"6080-56-4"}
{"Compound":"Ochratoxin a","CAS":"303-47-9","CAS.Checksum":true,"DTXSID":"DTXSID7021073","Formula":"C20H18ClNO6","All.Compound.Names":"Ochratoxin a|Dtxsid7021073|303-47-9","logHenry":-10.21,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.735,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.647,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.583,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.1,"MP.Reference":"EPA-CCD-OPERA","MW":403.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"2.19,0.971,4.93","Human.Caco2.Pab.Reference":"Lanevskij","Human.Funbound.plasma":"2.0000000000000001E-4","Human.Funbound.plasma.Reference":"ECVAM","Human.Rblood2plasma":0.5773,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"303-47-9"}
{"Compound":"Phenanthrene","CAS":"85-01-8","CAS.Checksum":true,"DTXSID":"DTXSID6024254","Formula":"C14H10","All.Compound.Names":"Phenanthrene|Dtxsid6024254","logHenry":-4.371,"logHenry.Reference":"EPA-CCD-OPERA","logMA":4.86,"logMA.Reference":"Endo 2011","logP":4.465,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.085,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.845,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.9,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"7.6e-06,2.55e-13,0.978","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":0.7847,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"85-01-8"}
{"Compound":"Potassium cyanide","CAS":"151-50-8","CAS.Checksum":true,"DTXSID":"DTXSID0024268","Formula":"CKN","All.Compound.Names":"Potassium cyanide|Dtxsid0024268","logHenry":-3.874,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1324,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5695,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.305,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.4,"MP.Reference":"EPA-CCD-OPERA","MW":65.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.5","pKa_Accept.Reference":"TNO","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.91","Human.Funbound.plasma.Reference":"ECVAM","Human.Rblood2plasma":0.7071,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"151-50-8"}
{"Compound":"Toluene","CAS":"108-88-3","CAS.Checksum":true,"DTXSID":"DTXSID7021360","Formula":"C7H8","All.Compound.Names":"Toluene|1-methylbenzene|Dtxsid7021360","logHenry":-2.179,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.729,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7656,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.228,"logWSol.Reference":"EPA-CCD-OPERA","MP":-93.28,"MP.Reference":"EPA-CCD-OPERA","MW":92.14,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"17.66","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.3","Human.Funbound.plasma.Reference":"ECVAM","Human.Rblood2plasma":0.9131,"Human.Rblood2plasma.Reference":"TNO","Rat.Clint":"95.77","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.3433","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"108-88-3"}
{"Compound":"Trimethadione","CAS":"127-48-0","CAS.Checksum":true,"DTXSID":"DTXSID9021396","Formula":"C6H9NO3","All.Compound.Names":"Trimethadione|Dtxsid9021396|127-48-0","logHenry":-4.577,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2418,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.492,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4608,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.07,"MP.Reference":"EPA-CCD-OPERA","MW":143.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.89","Human.Funbound.plasma.Reference":"ECVAM","Human.Rblood2plasma":0.7263,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"127-48-0"}
{"Compound":"Trimethyltin","CAS":"1631-73-8","CAS.Checksum":true,"DTXSID":"DTXSID6035102","Formula":"C3H10Sn","All.Compound.Names":"Trimethyltin","logP":1.64,"logP.Reference":"TNO","MW":164.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.6","Human.Funbound.plasma.Reference":"ECVAM","Human.Rblood2plasma":0.8857,"Human.Rblood2plasma.Reference":"TNO","Chemical.Class":"","_row":"1066-45-1"}
{"Compound":"Aflatoxin","CAS":"1162-65-8","CAS.Checksum":true,"DTXSID":"DTXSID9020035","Formula":"C17H12O6","All.Compound.Names":"Aflatoxin|Aflatoxin b1|Dtxsid9020035","logHenry":-5.725,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3739,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.08,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.981,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.4,"MP.Reference":"EPA-CCD-OPERA","MW":312.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"11.28","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0.1045,0.09512,0.1139","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"1162-65-8"}
{"Compound":"Aminoglutethimide","CAS":"125-84-8","CAS.Checksum":true,"DTXSID":"DTXSID8022589","Formula":"C13H16N2O2","All.Compound.Names":"Aminoglutethimide|125-84-8|Dtxsid8022589","logHenry":-9.217,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.471,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.64,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.601,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.6,"MP.Reference":"EPA-CCD-OPERA","MW":232.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.35","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.723","Human.Clint.Reference":"Tonnelier 2012","Human.Foral":0.95,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.563","Human.Funbound.plasma.Reference":"Tonnelier 2012","Chemical.Class":"","_row":"125-84-8"}
{"Compound":"Aminopterin","CAS":"54-62-6","CAS.Checksum":true,"DTXSID":"DTXSID3022588","Formula":"C19H20N8O5","All.Compound.Names":"Aminopterin|4-aminofolic acid|Dtxsid3022588|54-62-6","logHenry":-10.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.05046,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.592,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.498,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.6,"MP.Reference":"EPA-CCD-OPERA","MW":440.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.09","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.Reference":"Tonnelier 2012","Human.Funbound.plasma":"0.75","Human.Funbound.plasma.Reference":"Tonnelier 2012","Chemical.Class":"","_row":"54-62-6"}
{"Compound":"Amphetamine","CAS":"300-62-9","CAS.Checksum":true,"DTXSID":"DTXSID4022600","Formula":"C9H13N","All.Compound.Names":"Amphetamine|Dtxsid4022600|300-62-9","logHenry":-5.568,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.76,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.078,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8747,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.64,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.511","Human.Clint.Reference":"Tonnelier 2012","Human.Funbound.plasma":"0.3282","Human.Funbound.plasma.Reference":"Tonnelier 2012","Chemical.Class":"","_row":"300-62-9"}
{"Compound":"Cycloheximide","CAS":"66-81-9","CAS.Checksum":true,"DTXSID":"DTXSID6024882","Formula":"C15H23NO4","All.Compound.Names":"Cycloheximide|Dtxsid6024882|66-81-9","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5478,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.732,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.131,"logWSol.Reference":"EPA-CCD-OPERA","MP":119.1,"MP.Reference":"EPA-CCD-OPERA","MW":281.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"18.1,10.1,32.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"1.74","Human.Clint.Reference":"Tonnelier 2012","Human.Funbound.plasma":"0.629","Human.Funbound.plasma.Reference":"Tonnelier 2012","Chemical.Class":"","_row":"66-81-9"}
{"Compound":"Diethylphthalate","CAS":"84-66-2","CAS.Checksum":true,"DTXSID":"DTXSID7021780","Formula":"C12H14O4","All.Compound.Names":"Diethylphthalate|Diethyl phthalate|Dtxsid7021780","logHenry":-7.626,"logHenry.Reference":"EPA-CCD-OPERA","logMA":1.77,"logMA.Reference":"Endo 2011","logP":2.444,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.304,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.333,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.04,"MP.Reference":"EPA-CCD-OPERA","MW":222.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"42.5","Human.Clint.Reference":"Tonnelier 2012","Human.Funbound.plasma":"0.19","Human.Funbound.plasma.Reference":"Tonnelier 2012","Chemical.Class":"","_row":"84-66-2"}
{"Compound":"Fenpropathrin","CAS":"39515-41-8","CAS.Checksum":true,"DTXSID":"DTXSID0024002","Formula":"C22H23NO3","All.Compound.Names":"Fenpropathrin|Dtxsid0024002","logHenry":-6.969,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.698,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.76,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.674,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.08,"MP.Reference":"EPA-CCD-OPERA","MW":349.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.62","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"19.7,11.4,31.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00458,0.00142,0.0217","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"39515-41-8"}
{"Compound":"Fenvalerate","CAS":"67614-33-9","CAS.Checksum":true,"DTXSID":"DTXSID3020621","Formula":"C25H22ClNO3","All.Compound.Names":"Fenvalerate|(r,r)-fenvalerate|Dtxsid3020621","logHenry":-7.085,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.488,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.514,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.37,"MP.Reference":"EPA-CCD-OPERA","MW":419.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.766","Human.Clint.Reference":"Tonnelier 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Tonnelier 2012","Chemical.Class":"","_row":"67614-33-9"}
{"Compound":"Gibberellic_acid","CAS":"77-06-5","CAS.Checksum":true,"DTXSID":"DTXSID0020656","Formula":"C19H22O6","All.Compound.Names":"Gibberellic_acid|Gibberellic acid|Dtxsid0020656|77-06-5","logHenry":-10.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2422,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.054,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.866,"logWSol.Reference":"EPA-CCD-OPERA","MP":234,"MP.Reference":"EPA-CCD-OPERA","MW":346.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.Reference":"Tonnelier 2012","Human.Funbound.plasma":"0.24","Human.Funbound.plasma.Reference":"Tonnelier 2012","Rat.Clint":"0","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.8015","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"77-06-5"}
{"Compound":"Nalidixic_acid","CAS":"389-08-2","CAS.Checksum":true,"DTXSID":"DTXSID3020912","Formula":"C12H12N2O3","All.Compound.Names":"Nalidixic_acid|Nalidixic acid|389-08-2|Dtxsid3020912","logHenry":-8.592,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.59,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.722,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.414,"logWSol.Reference":"EPA-CCD-OPERA","MP":229.4,"MP.Reference":"EPA-CCD-OPERA","MW":232.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.69","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"-0.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.1","Human.Clint.Reference":"Tonnelier 2012","Human.Foral":0.96,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.749","Human.Funbound.plasma.Reference":"Tonnelier 2012","Rat.Funbound.plasma":"0.29","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"389-08-2"}
{"Compound":"Orphenadrine","CAS":"83-98-7","CAS.Checksum":true,"DTXSID":"DTXSID3023396","Formula":"C18H23NO","All.Compound.Names":"Orphenadrine|83-98-7|Dtxsid3023396","logHenry":-5.188,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.769,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.199,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.557,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.2,"MP.Reference":"EPA-CCD-OPERA","MW":269.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.723","Human.Clint.Reference":"Tonnelier 2012","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.175","Human.Funbound.plasma.Reference":"Tonnelier 2012","Chemical.Class":"","_row":"83-98-7"}
{"Compound":"Pcb136","CAS":"38411-22-2","CAS.Checksum":true,"DTXSID":"DTXSID6073499","Formula":"C12H4Cl6","All.Compound.Names":"Pcb136|2,2',3,3',6,6'-hexachlorobiphenyl (pcb 136)|Pcb136 (2,2',3,3',6,6'-\r\nhexachlorobiphenyl)|2,2',3,3',6,6'-hexachlorobiphenyl|Dtxsid6073499","logHenry":-4.061,"logHenry.Reference":"EPA-CCD-OPERA","logMA":5.9,"logMA.Reference":"Endo 2011","logP":7.121,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.612,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.077,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.1,"MP.Reference":"EPA-CCD-OPERA","MW":360.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.00027","Human.Clint.Reference":"Tonnelier 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Tonnelier 2012","Chemical.Class":"","_row":"38411-22-2"}
{"Compound":"Pcb153","CAS":"35065-27-1","CAS.Checksum":true,"DTXSID":"DTXSID2032180","Formula":"C12H4Cl6","All.Compound.Names":"Pcb153|Pcb153 (2,2',4,4',5,5'-\r\nhexachlorobiphenyl)|2,2',4,4',5,5'-hexachlorobiphenyl|Dtxsid2032180","logHenry":-4.634,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.562,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.171,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.858,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.43,"MP.Reference":"EPA-CCD-OPERA","MW":360.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.72e-06","Human.Clint.Reference":"Tonnelier 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Tonnelier 2012","Chemical.Class":"","_row":"35065-27-1"}
{"Compound":"Pcb155","CAS":"33979-03-2","CAS.Checksum":true,"DTXSID":"DTXSID3040302","Formula":"C12H4Cl6","All.Compound.Names":"Pcb155|2,2',4,4',6,6'-hexachlorobiphenyl (pcb 155)|2,2',4,4',6,6'-hexachlorobiphenyl (pcb) 15|Pcb155 (2,2',4,4',6,6'-\r\nhexachlorobiphenyl)|2,2',4,4',6,6'-hexachlorobiphenyl|Dtxsid3040302","logHenry":-4.068,"logHenry.Reference":"EPA-CCD-OPERA","logMA":5.93,"logMA.Reference":"Endo 2011","logP":7.278,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.819,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.305,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.44,"MP.Reference":"EPA-CCD-OPERA","MW":360.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9.24e-06","Human.Clint.Reference":"Tonnelier 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Tonnelier 2012","Chemical.Class":"","_row":"33979-03-2"}
{"Compound":"Pcb77","CAS":"32598-13-3","CAS.Checksum":true,"DTXSID":"DTXSID5022514","Formula":"C12H6Cl4","All.Compound.Names":"Pcb77|Pcb77   (3,3',4,4'-tetrachlorobiphenyl)|3,3',4,4'-tetrachlorobiphenyl|Dtxsid5022514","logHenry":-5.011,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.619,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.989,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.482,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.22,"MP.Reference":"EPA-CCD-OPERA","MW":292,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6.83e-05","Human.Clint.Reference":"Tonnelier 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Tonnelier 2012","Chemical.Class":"","_row":"32598-13-3"}
{"Compound":"Pcb80","CAS":"33284-52-5","CAS.Checksum":true,"DTXSID":"DTXSID4058657","Formula":"C12H6Cl4","All.Compound.Names":"Pcb80|Pcb80   (3,3',5,5'-tetrachlorobiphenyl)|3,3',5,5'-tetrachlorobiphenyl|Dtxsid4058657","logHenry":-3.699,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.719,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.808,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.85,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.9,"MP.Reference":"EPA-CCD-OPERA","MW":292,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.33e-05","Human.Clint.Reference":"Tonnelier 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Tonnelier 2012","Chemical.Class":"","_row":"33284-52-5"}
{"Compound":"Strychnine","CAS":"57-24-9","CAS.Checksum":true,"DTXSID":"DTXSID6023600","Formula":"C21H22N2O2","All.Compound.Names":"Strychnine|Dtxsid6023600|57-24-9","logHenry":-8.168,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.929,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.752,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.323,"logWSol.Reference":"EPA-CCD-OPERA","MP":286.8,"MP.Reference":"EPA-CCD-OPERA","MW":334.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"9.85,5.48,17.7","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"2","Human.Clint.Reference":"Tonnelier 2012","Human.Funbound.plasma":"0.457","Human.Funbound.plasma.Reference":"Tonnelier 2012","Chemical.Class":"","_row":"57-24-9"}
{"Compound":"Dibutylphthalate","CAS":"84-74-2","CAS.Checksum":true,"DTXSID":"DTXSID2021781","Formula":"C16H22O4","All.Compound.Names":"Dibutylphthalate|Dibutyl phthalate|Dibutyl 1,2-benzenedicarboxylate|Dtxsid2021781","logHenry":-5.744,"logHenry.Reference":"EPA-CCD-OPERA","logMA":4.23,"logMA.Reference":"Endo 2011","logP":4.609,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.234,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.396,"logWSol.Reference":"EPA-CCD-OPERA","MP":-34.43,"MP.Reference":"EPA-CCD-OPERA","MW":278.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"42.5","Human.Clint.Reference":"Tonnelier 2012","Human.Funbound.plasma":"0.028","Human.Funbound.plasma.Reference":"Tonnelier 2012","Rat.Clint":"79.3","Rat.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"84-74-2"}
{"Compound":"Calcitriol","CAS":"32222-06-3","CAS.Checksum":true,"DTXSID":"DTXSID5022722","Formula":"C27H44O3","All.Compound.Names":"Calcitriol|32222-06-3|Dtxsid5022722","logHenry":-7.72,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.47,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.893,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.922,"logWSol.Reference":"EPA-CCD-OPERA","MP":115.1,"MP.Reference":"EPA-CCD-OPERA","MW":416.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.15","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.49","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.63,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0","Human.Funbound.plasma.Reference":"Paixao 2012","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"32222-06-3"}
{"Compound":"Gemfibrozil","CAS":"25812-30-0","CAS.Checksum":true,"DTXSID":"DTXSID0020652","Formula":"C15H22O3","All.Compound.Names":"Gemfibrozil|25812-30-0|Dtxsid0020652","logHenry":-8.243,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.431,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.171,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.606,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.12,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"46.1,25.6,82.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"52.18","Human.Clint.Reference":"Wood 2017","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.03","Human.Funbound.plasma.Reference":"Paixao 2012","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"25812-30-0"}
{"Compound":"Hydrochlorothiazide","CAS":"58-93-5","CAS.Checksum":true,"DTXSID":"DTXSID2020713","Formula":"C7H8ClN3O4S2","All.Compound.Names":"Hydrochlorothiazide|58-93-5|Dtxsid2020713","logHenry":-9.564,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.07002,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.597,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.628,"logWSol.Reference":"EPA-CCD-OPERA","MP":274,"MP.Reference":"EPA-CCD-OPERA","MW":297.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Monkey","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.333,0.0822,1.35","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.998","Human.Clint.pValue":0.9977,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.72,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.274,0.205,0.359","Human.Funbound.plasma.Reference":"Wambaugh 2019","Human.Rblood2plasma":1.7,"Human.Rblood2plasma.Reference":"Paixao 2012","Monkey.Foral":0.307,"Monkey.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"58-93-5"}
{"Compound":"Quetiapine","CAS":"111974-69-7","CAS.Checksum":true,"DTXSID":"DTXSID9023546","Formula":"C21H25N3O2S","All.Compound.Names":"Quetiapine|111974-69-7|Dtxsid9023546","logHenry":-9.772,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.771,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.582,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.403,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.4,"MP.Reference":"EPA-CCD-OPERA","MW":383.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.17","Human.Funbound.plasma.Reference":"Paixao 2012","Human.Rblood2plasma":0.9,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"111974-69-7"}
{"Compound":"Timolol hemihydrate","CAS":"91524-16-2","CAS.Checksum":true,"DTXSID":"DTXSID70238611","Formula":"C26H50N8O7S2","All.Compound.Names":"Timolol hemihydrate|Dtxsid70238611|91524-16-2","logHenry":-8.802,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.043,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.658,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.3,"MP.Reference":"EPA-CCD-OPERA","MW":650.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.6","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.08","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":1,"Human.Foral.Reference":"Paixao 2012","Human.Funbound.plasma":"0.9","Human.Funbound.plasma.Reference":"Paixao 2012","Human.Rblood2plasma":0.87,"Human.Rblood2plasma.Reference":"Paixao 2012","Chemical.Class":"","_row":"91524-16-2"}
{"Compound":"4,4'-methylenedianiline","CAS":"101-77-9","CAS.Checksum":true,"DTXSID":"DTXSID6022422","Formula":"C13H14N2","All.Compound.Names":"4,4'-methylenedianiline|4,4'-diaminobiphenyl methane|Dtxsid6022422|101-77-9","logHenry":-6.972,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.589,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.788,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.301,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.72,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"51.5,28.7,92.7","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"3.37,1.4,5.46,0.00018","Human.Clint.pValue":0.00018,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.261,0.229,0.302","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"101-77-9"}
{"Compound":"5hpp-33","CAS":"105624-86-0","CAS.Checksum":true,"DTXSID":"DTXSID1046970","Formula":"C20H21NO3","All.Compound.Names":"5hpp-33|2-(2,6-diisopropylphenyl)-5-hydroxy-1h-isoindole-1,3-dione|Dtxsid1046970|105624-86-0","logHenry":-8.116,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.28,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.064,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.128,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.1,"MP.Reference":"EPA-CCD-OPERA","MW":323.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.64","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.87","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"30.4,16.9,54.7","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"47,32.3,55.1,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0415,0.0289,0.0673","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"105624-86-0"}
{"Compound":"Loxiglumide","CAS":"107097-80-3","CAS.Checksum":true,"DTXSID":"DTXSID6057615","Formula":"C21H30Cl2N2O5","All.Compound.Names":"Loxiglumide|107097-80-3|Dtxsid6057615","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.827,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.812,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.692,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.8,"MP.Reference":"EPA-CCD-OPERA","MW":461.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.96,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.97,"Human.Foral.Reference":"Varma 2010","Chemical.Class":"","_row":"107097-80-3"}
{"Compound":"Fenpyroximate (z,e)","CAS":"111812-58-9","CAS.Checksum":true,"DTXSID":"DTXSID2032550","Formula":"C24H27N3O4","All.Compound.Names":"Fenpyroximate (z,e)|Dtxsid2032550|111812-58-9","logHenry":-7.089,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.008,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.729,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.358,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.1,"MP.Reference":"EPA-CCD-OPERA","MW":421.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"16.8,5.41,26.2,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0046,0.00235,0.00918","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"111812-58-9"}
{"Compound":"Fluthiacet-methyl","CAS":"117337-19-6","CAS.Checksum":true,"DTXSID":"DTXSID2032556","Formula":"C15H15ClFN3O3S2","All.Compound.Names":"Fluthiacet-methyl|Dtxsid2032556|117337-19-6","logHenry":-8.906,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.766,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.236,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.678,"logWSol.Reference":"EPA-CCD-OPERA","MP":106,"MP.Reference":"EPA-CCD-OPERA","MW":403.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"645,267,1280,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"117337-19-6"}
{"Compound":"Dexniguldipine","CAS":"120054-86-6","CAS.Checksum":true,"DTXSID":"DTXSID70152666","Formula":"C36H39N3O6","All.Compound.Names":"Dexniguldipine|(+)-niguldipine|Dtxsid70152666|120054-86-6","logHenry":-7.427,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.259,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.416,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.77,"logWSol.Reference":"EPA-CCD-OPERA","MP":164,"MP.Reference":"EPA-CCD-OPERA","MW":609.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120054-86-6"}
{"Compound":"Maleic hydrazide","CAS":"123-33-1","CAS.Checksum":true,"DTXSID":"DTXSID9020792","Formula":"C4H4N2O2","All.Compound.Names":"Maleic hydrazide|Dtxsid9020792|123-33-1","logHenry":-8.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8396,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.294,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.333,"logWSol.Reference":"EPA-CCD-OPERA","MP":305.8,"MP.Reference":"EPA-CCD-OPERA","MW":112.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.05","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"7.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,1240,0.631","Human.Clint.pValue":0.6314,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"123-33-1"}
{"Compound":"Intoplicine","CAS":"125974-72-3","CAS.Checksum":true,"DTXSID":"DTXSID80155022","Formula":"C21H24N4O","All.Compound.Names":"Intoplicine|Dtxsid80155022|125974-72-3","logHenry":-8.555,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.002,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.395,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.285,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.6,"MP.Reference":"EPA-CCD-OPERA","MW":348.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.69","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"125974-72-3"}
{"Compound":"2,2',4,4'-tetrahydroxybenzophenone","CAS":"131-55-5","CAS.Checksum":true,"DTXSID":"DTXSID5041306","Formula":"C13H10O5","All.Compound.Names":"2,2',4,4'-tetrahydroxybenzophenone|Dtxsid5041306|131-55-5","logHenry":-10.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.598,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.786,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.147,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.6,"MP.Reference":"EPA-CCD-OPERA","MW":246.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"28.9,16.1,51.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"19.2,6.91,31.5,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0354,0.027,0.0489","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"103","Rat.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"131-55-5"}
{"Compound":"2,4-dihydroxybenzophenone","CAS":"131-56-6","CAS.Checksum":true,"DTXSID":"DTXSID8022406","Formula":"C13H10O3","All.Compound.Names":"2,4-dihydroxybenzophenone|Dtxsid8022406|131-56-6","logHenry":-8.859,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.595,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.754,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.179,"logWSol.Reference":"EPA-CCD-OPERA","MP":144,"MP.Reference":"EPA-CCD-OPERA","MW":214.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"39.3,24.6,51.6,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0113,0.00921,0.0179","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"45.5","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0188","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"131-56-6"}
{"Compound":"Hydroflumethazide","CAS":"135-09-1","CAS.Checksum":true,"DTXSID":"DTXSID3023132","Formula":"C8H8F3N3O4S2","All.Compound.Names":"Hydroflumethazide|Hydroflumethiazide|135-09-1|Dtxsid3023132","logHenry":-9.597,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3616,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.96,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.023,"logWSol.Reference":"EPA-CCD-OPERA","MP":270.5,"MP.Reference":"EPA-CCD-OPERA","MW":331.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"135-09-1"}
{"Compound":"Nefopam","CAS":"13669-70-0","CAS.Checksum":true,"DTXSID":"DTXSID2048535","Formula":"C17H19NO","All.Compound.Names":"Nefopam|13669-70-0|Dtxsid2048535","logHenry":-4.798,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.127,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.828,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.843,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.9,"MP.Reference":"EPA-CCD-OPERA","MW":253.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.36,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.507","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"13669-70-0"}
{"Compound":"Darbufelone mesylate","CAS":"139340-56-0","CAS.Checksum":true,"DTXSID":"DTXSID0047246","Formula":"C19H28N2O5S2","All.Compound.Names":"Darbufelone mesylate|Dtxsid0047246|139340-56-0","logHenry":-9.606,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5448,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.738,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.357,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.3,"MP.Reference":"EPA-CCD-OPERA","MW":428.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.53","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"6.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.991","Human.Clint.pValue":0.9908,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00678,0.00411,0.0147","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"139340-56-0"}
{"Compound":"Trifloxystrobin","CAS":"141517-21-7","CAS.Checksum":true,"DTXSID":"DTXSID4032580","Formula":"C20H19F3N2O4","All.Compound.Names":"Trifloxystrobin|Dtxsid4032580|141517-21-7","logHenry":-9.43,"logHenry.Reference":"OPERA29","logP":4.5,"logP.Reference":"OPERA29","logWSol":-5.83,"logWSol.Reference":"OPERA29","MP":73,"MP.Reference":"OPERA29","MW":408.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"466,19.3,1280,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0072,0.00428,0.0157","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"141517-21-7"}
{"Compound":"Ifetroban","CAS":"143443-90-7","CAS.Checksum":true,"DTXSID":"DTXSID40869931","Formula":"C25H32N2O5","All.Compound.Names":"Ifetroban|Dtxsid40869931|143443-90-7","logHenry":-7.62,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.609,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.029,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.898,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.5,"MP.Reference":"EPA-CCD-OPERA","MW":440.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"19.5,8.65,43.9","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"143443-90-7"}
{"Compound":"Repinotan","CAS":"144980-29-0","CAS.Checksum":true,"DTXSID":"DTXSID80162857","Formula":"C21H24N2O4S","All.Compound.Names":"Repinotan|Dtxsid80162857|144980-29-0","logHenry":-8.159,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.685,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.613,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.333,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.8,"MP.Reference":"EPA-CCD-OPERA","MW":400.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"144980-29-0"}
{"Compound":"Endothal","CAS":"145-73-3","CAS.Checksum":true,"DTXSID":"DTXSID7024081","Formula":"C8H10O5","All.Compound.Names":"Endothal|Dtxsid7024081|145-73-3","logHenry":-9.236,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.907,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.933,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2697,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.1,"MP.Reference":"EPA-CCD-OPERA","MW":186.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.999,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.867,0.544,0.988","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"145-73-3"}
{"Compound":"Troxacitabine","CAS":"145918-75-8","CAS.Checksum":true,"DTXSID":"DTXSID2048791","Formula":"C8H11N3O4","All.Compound.Names":"Troxacitabine|Dtxsid2048791|145918-75-8","logHenry":-7.989,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.532,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.695,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6646,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.6,"MP.Reference":"EPA-CCD-OPERA","MW":213.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.82","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.85","pKa_Donor.Reference":"Strope 2018","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"145918-75-8"}
{"Compound":"Bisphenol af","CAS":"1478-61-1","CAS.Checksum":true,"DTXSID":"DTXSID7037717","Formula":"C15H10F6O2","All.Compound.Names":"Bisphenol af|Dtxsid7037717|1478-61-1","logHenry":-5.098,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.017,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.117,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.91,"logWSol.Reference":"EPA-CCD-OPERA","MP":162,"MP.Reference":"EPA-CCD-OPERA","MW":336.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"125,44.3,158,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00685,0.00354,0.0183","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"165","Rat.Clint.Reference":"Black 2021","Chemical.Class":"PFAS","_row":"1478-61-1"}
{"Compound":"Squalamine","CAS":"148717-90-2","CAS.Checksum":true,"DTXSID":"DTXSID40869971","Formula":"C34H65N3O5S","All.Compound.Names":"Squalamine|Dtxsid40869971|148717-90-2","logHenry":-10.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.94,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.583,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.359,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.3,"MP.Reference":"EPA-CCD-OPERA","MW":628,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.81","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"-1.15","pKa_Donor.Reference":"Strope 2018","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"148717-90-2"}
{"Compound":"Ginkgolide a","CAS":"15291-75-5","CAS.Checksum":true,"DTXSID":"DTXSID10873222","Formula":"C20H24O9","All.Compound.Names":"Ginkgolide a|15291-75-5|Dtxsid10873222","logHenry":-10.99,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4747,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.053,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.399,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.8,"MP.Reference":"EPA-CCD-OPERA","MW":408.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.91,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.97,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.8,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"15291-75-5"}
{"Compound":"Lincomycin","CAS":"154-21-2","CAS.Checksum":true,"DTXSID":"DTXSID3023215","Formula":"C18H34N2O6S","All.Compound.Names":"Lincomycin|154-21-2|Dtxsid3023215","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.288,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.639,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.7,"MP.Reference":"EPA-CCD-OPERA","MW":406.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.95","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.37,12.97,13.56","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.25,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"154-21-2"}
{"Compound":"Topixantrone","CAS":"156090-18-5","CAS.Checksum":true,"DTXSID":"DTXSID30166042","Formula":"C21H26N6O2","All.Compound.Names":"Topixantrone|Dtxsid30166042|156090-18-5","logHenry":-10.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.895,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.505,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.095,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.7,"MP.Reference":"EPA-CCD-OPERA","MW":394.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"156090-18-5"}
{"Compound":"Irofulven","CAS":"158440-71-2","CAS.Checksum":true,"DTXSID":"DTXSID50166423","Formula":"C15H18O3","All.Compound.Names":"Irofulven|Dtxsid50166423|158440-71-2","logHenry":-5.975,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3892,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.092,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.5,"MP.Reference":"EPA-CCD-OPERA","MW":246.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"158440-71-2"}
{"Compound":"Daminozide","CAS":"1596-84-5","CAS.Checksum":true,"DTXSID":"DTXSID9020370","Formula":"C6H12N2O3","All.Compound.Names":"Daminozide|Dtxsid9020370|1596-84-5","logHenry":-7.631,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.495,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.09,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1398,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.5,"MP.Reference":"EPA-CCD-OPERA","MW":160.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.19","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"2.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.29,0.672,4.83,0.0157","Human.Clint.pValue":0.0157,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.939,0.655,0.989","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1596-84-5"}
{"Compound":"Ethephon","CAS":"16672-87-0","CAS.Checksum":true,"DTXSID":"DTXSID7024085","Formula":"C2H6ClO3P","All.Compound.Names":"Ethephon|Dtxsid7024085|2-cloroethylphosphonic acid|16672-87-0","logHenry":-6.957,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2202,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.072,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8396,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.28,"MP.Reference":"EPA-CCD-OPERA","MW":144.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16672-87-0"}
{"Compound":"Methomyl","CAS":"16752-77-5","CAS.Checksum":true,"DTXSID":"DTXSID1022267","Formula":"C5H10N2O2S","All.Compound.Names":"Methomyl|Dtxsid1022267|16752-77-5","logHenry":-7.702,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6005,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.875,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4608,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.05,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.69","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"9.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"51.8,28.8,93.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"2.05,1.05,3.07,0.00026","Human.Clint.pValue":0.00026,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.716,0.56,0.899","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"16752-77-5"}
{"Compound":"Spectinomycin","CAS":"1695-77-8","CAS.Checksum":true,"DTXSID":"DTXSID9023592","Formula":"C14H24N2O7","All.Compound.Names":"Spectinomycin|Dtxsid9023592|1695-77-8","logHenry":-10.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.286,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.75,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.863,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.7,"MP.Reference":"EPA-CCD-OPERA","MW":332.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.82","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.58,13.26,13.98","pKa_Donor.Reference":"Strope 2018","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1695-77-8"}
{"Compound":"Clopyralid","CAS":"1702-17-6","CAS.Checksum":true,"DTXSID":"DTXSID9029221","Formula":"C6H3Cl2NO2","All.Compound.Names":"Clopyralid|Dtxsid9029221|1702-17-6","logHenry":-8.309,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.062,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.325,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1354,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.1,"MP.Reference":"EPA-CCD-OPERA","MW":192,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.34","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"1.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.934,0,3.35,0.454","Human.Clint.pValue":0.454,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.438,0.287,0.557","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1702-17-6"}
{"Compound":"Eniporide","CAS":"176644-21-6","CAS.Checksum":true,"DTXSID":"DTXSID30870132","Formula":"C14H16N4O3S","All.Compound.Names":"Eniporide|Dtxsid30870132|176644-21-6","logHenry":-11.1,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2448,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.577,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.461,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.5,"MP.Reference":"EPA-CCD-OPERA","MW":320.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.16","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"6.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.2","Human.Clint.Reference":"Yamagata 2017","Human.Funbound.plasma":"0.28","Human.Funbound.plasma.Reference":"Yamagata 2017","Human.Rblood2plasma":0.9,"Human.Rblood2plasma.Reference":"Yamagata 2017","Chemical.Class":"","_row":"176644-21-6"}
{"Compound":"Sb236057a","CAS":"180084-01-9","CAS.Checksum":true,"DTXSID":"DTXSID5047320","Formula":"C33H35ClN4O3","All.Compound.Names":"Sb236057a|Dtxsid5047320|180084-01-9","logHenry":-7.438,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.528,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.147,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.585,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.1,"MP.Reference":"EPA-CCD-OPERA","MW":571.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.65,1.08,8.01,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.015,0.00967,0.0289","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"180084-01-9"}
{"Compound":"Propoxycarbazone-sodium","CAS":"181274-15-7","CAS.Checksum":true,"DTXSID":"DTXSID9034864","Formula":"C15H17N4NaO7S","All.Compound.Names":"Propoxycarbazone-sodium|Dtxsid9034864|181274-15-7","logHenry":-8.855,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.191,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.227,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.002,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.4,"MP.Reference":"EPA-CCD-OPERA","MW":420.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.0636,0.0157,0.258","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0.91,0,2.21,0.339","Human.Clint.pValue":0.3389,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00891,0.00697,0.0152","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"181274-15-7"}
{"Compound":"Olcegepant","CAS":"204697-65-4","CAS.Checksum":true,"DTXSID":"DTXSID10174443","Formula":"C38H47Br2N9O5","All.Compound.Names":"Olcegepant|Dtxsid10174443|204697-65-4","logHenry":-10.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.218,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.364,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.066,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.1,"MP.Reference":"EPA-CCD-OPERA","MW":869.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.19,8.69","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"5.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"204697-65-4"}
{"Compound":"Benperidol","CAS":"2062-84-2","CAS.Checksum":true,"DTXSID":"DTXSID7045364","Formula":"C22H24FN3O2","All.Compound.Names":"Benperidol|2062-84-2|Dtxsid7045364","logHenry":-8.828,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.901,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.349,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.282,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.9,"MP.Reference":"EPA-CCD-OPERA","MW":381.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.15","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.4,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.219","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"2062-84-2"}
{"Compound":"Zonampanel","CAS":"210245-80-0","CAS.Checksum":true,"DTXSID":"DTXSID50175232","Formula":"C13H9N5O6","All.Compound.Names":"Zonampanel|Dtxsid50175232|210245-80-0","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6353,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.98,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.79,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.8,"MP.Reference":"EPA-CCD-OPERA","MW":331.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.5","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"210245-80-0"}
{"Compound":"Alcuronium","CAS":"23214-96-2","CAS.Checksum":true,"DTXSID":"DTXSID8048234","Formula":"C44H50N4O2","All.Compound.Names":"Alcuronium|23214-96-2|Dtxsid8048234","logHenry":-7.548,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.711,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.083,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.557,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.6,"MP.Reference":"EPA-CCD-OPERA","MW":666.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"23214-96-2"}
{"Compound":"Chlorazepate","CAS":"23887-31-2","CAS.Checksum":true,"DTXSID":"DTXSID20863674","Formula":"C16H11ClN2O3","All.Compound.Names":"Chlorazepate|Clorazepate|23887-31-2|Dtxsid20863674","logHenry":-9.703,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.772,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.578,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.325,"logWSol.Reference":"EPA-CCD-OPERA","MP":199,"MP.Reference":"EPA-CCD-OPERA","MW":314.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.91,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"23887-31-2"}
{"Compound":"Basic blue 7","CAS":"2390-60-5","CAS.Checksum":true,"DTXSID":"DTXSID5038888","Formula":"C33H40ClN3","All.Compound.Names":"Basic blue 7|Dtxsid5038888|2390-60-5","logHenry":-7.388,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.876,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.305,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.523,"logWSol.Reference":"EPA-CCD-OPERA","MP":176,"MP.Reference":"EPA-CCD-OPERA","MW":514.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.0138,0.00342,0.0561","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"3.21,1.39,4.76,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"1.56e-08,1.8e-13,0.00134","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2390-60-5"}
{"Compound":"Cj-013610","CAS":"249296-43-3","CAS.Checksum":true,"DTXSID":"DTXSID2047272","Formula":"C23H27N3O5S2","All.Compound.Names":"Cj-013610|Dtxsid2047272|249296-43-3","logHenry":-9.026,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4695,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.722,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.313,"logWSol.Reference":"EPA-CCD-OPERA","MP":181,"MP.Reference":"EPA-CCD-OPERA","MW":489.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.01","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"8.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.79,0,6.21,0.256","Human.Clint.pValue":0.2558,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0645,0.06,0.0717","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"249296-43-3"}
{"Compound":"Ribostamycin","CAS":"25546-65-0","CAS.Checksum":true,"DTXSID":"DTXSID6048541","Formula":"C17H34N4O10","All.Compound.Names":"Ribostamycin|Dtxsid6048541|25546-65-0","logHenry":-9.91,"logHenry.Reference":"OPERA29","logP":-4.3,"logP.Reference":"OPERA29","logWSol":-0.42,"logWSol.Reference":"OPERA29","MP":193,"MP.Reference":"OPERA29","MW":454.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.95","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.19,12.97,13.83","pKa_Donor.Reference":"Strope 2018","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25546-65-0"}
{"Compound":"1,1,1-tris(p-hydroxyphenyl)ethane","CAS":"27955-94-8","CAS.Checksum":true,"DTXSID":"DTXSID2037712","Formula":"C20H18O3","All.Compound.Names":"1,1,1-tris(p-hydroxyphenyl)ethane|4,4',4''-ethane-1,1,1-triyltriphenol|4,4',4\"-ethane-1,1,1-triyltriphenol|Dtxsid2037712|27955-94-8","logHenry":-8.56,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.301,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.989,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.476,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.7,"MP.Reference":"EPA-CCD-OPERA","MW":306.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"30.8,11.9,41.8,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0141,0.0106,0.0227","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"27955-94-8"}
{"Compound":"Doxapram","CAS":"309-29-5","CAS.Checksum":true,"DTXSID":"DTXSID2022963","Formula":"C24H30N2O2","All.Compound.Names":"Doxapram|309-29-5|Dtxsid2022963","logHenry":-6.95,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.237,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.455,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.096,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.4,"MP.Reference":"EPA-CCD-OPERA","MW":378.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7","Human.Clint.Reference":"Williamson 2020","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.78,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.78,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.64,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.44","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"309-29-5"}
{"Compound":"Edrophonium","CAS":"312-48-1","CAS.Checksum":true,"DTXSID":"DTXSID4046943","Formula":"C10H16NO","All.Compound.Names":"Edrophonium|312-48-1|Dtxsid4046943","logHenry":-5.468,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.988,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.444,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.624,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.17,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"312-48-1"}
{"Compound":"Azacitidine","CAS":"320-67-2","CAS.Checksum":true,"DTXSID":"DTXSID9020116","Formula":"C8H12N4O5","All.Compound.Names":"Azacitidine|5-azacytidine|Dtxsid9020116|320-67-2","logHenry":-9.898,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.17,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.8,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.395,"logWSol.Reference":"EPA-CCD-OPERA","MP":229,"MP.Reference":"EPA-CCD-OPERA","MW":244.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.4","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.55,13.93,14.79","pKa_Donor.Reference":"Strope 2018","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"320-67-2"}
{"Compound":"Asulam","CAS":"3337-71-1","CAS.Checksum":true,"DTXSID":"DTXSID8023890","Formula":"C8H10N2O4S","All.Compound.Names":"Asulam|Dtxsid8023890|3337-71-1","logHenry":-9.778,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2672,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.403,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.257,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.1,"MP.Reference":"EPA-CCD-OPERA","MW":230.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.02","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"5.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.8,0,3.5,0.228","Human.Clint.pValue":0.2283,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.456,0.403,0.535","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"3337-71-1"}
{"Compound":"Dibekacin","CAS":"34493-98-6","CAS.Checksum":true,"DTXSID":"DTXSID2022915","Formula":"C18H37N5O8","All.Compound.Names":"Dibekacin|Dtxsid2022915|34493-98-6","logHenry":-10.64,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.659,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.24,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.448,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.5,"MP.Reference":"EPA-CCD-OPERA","MW":451.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.63","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.54,13.13,13.75","pKa_Donor.Reference":"Strope 2018","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34493-98-6"}
{"Compound":"Urapidil","CAS":"34661-75-1","CAS.Checksum":true,"DTXSID":"DTXSID9021425","Formula":"C20H29N5O3","All.Compound.Names":"Urapidil|34661-75-1|Dtxsid9021425","logHenry":-7.444,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.601,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.08,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.437,"logWSol.Reference":"EPA-CCD-OPERA","MP":157,"MP.Reference":"EPA-CCD-OPERA","MW":387.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.74","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.13","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.88,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.89,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.78,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"34661-75-1"}
{"Compound":"Melperone","CAS":"3575-80-2","CAS.Checksum":true,"DTXSID":"DTXSID0023298","Formula":"C16H22FNO","All.Compound.Names":"Melperone|Methylperone|Dtxsid0023298|3575-80-2","logHenry":-8.052,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.115,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.409,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.968,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.96,"MP.Reference":"EPA-CCD-OPERA","MW":263.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3575-80-2"}
{"Compound":"Trimazosin","CAS":"35795-16-5","CAS.Checksum":true,"DTXSID":"DTXSID50189319","Formula":"C20H29N5O6","All.Compound.Names":"Trimazosin|35795-16-5|Dtxsid50189319","logHenry":-10.6,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.11,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.518,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.438,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.3,"MP.Reference":"EPA-CCD-OPERA","MW":435.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.75","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.59","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.61,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"35795-16-5"}
{"Compound":"Denaverine","CAS":"3579-62-2","CAS.Checksum":true,"DTXSID":"DTXSID10189315","Formula":"C24H33NO3","All.Compound.Names":"Denaverine|Dtxsid10189315|3579-62-2","logHenry":-6.185,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.024,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.66,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.91,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.89,"MP.Reference":"EPA-CCD-OPERA","MW":383.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3579-62-2"}
{"Compound":"Endralazine","CAS":"39715-02-1","CAS.Checksum":true,"DTXSID":"DTXSID40192791","Formula":"C14H15N5O","All.Compound.Names":"Endralazine|39715-02-1|Dtxsid40192791","logHenry":-9.069,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.575,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.604,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.967,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.3,"MP.Reference":"EPA-CCD-OPERA","MW":269.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.75,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"39715-02-1"}
{"Compound":"Cefcanel","CAS":"41952-52-7","CAS.Checksum":true,"DTXSID":"DTXSID00866067","Formula":"C19H18N4O5S3","All.Compound.Names":"Cefcanel|41952-52-7|Dtxsid00866067","logHenry":-10.85,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.504,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.971,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.261,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.1,"MP.Reference":"EPA-CCD-OPERA","MW":478.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.20","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"6.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.42,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.96,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.4,"Human.Foral.Reference":"Varma 2010","Chemical.Class":"","_row":"41952-52-7"}
{"Compound":"Acivicin","CAS":"42228-92-2","CAS.Checksum":true,"DTXSID":"DTXSID0046010","Formula":"C5H7ClN2O3","All.Compound.Names":"Acivicin|Dtxsid0046010|42228-92-2","logHenry":-7.635,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6977,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.403,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2048,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.7,"MP.Reference":"EPA-CCD-OPERA","MW":178.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.59","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"2.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42228-92-2"}
{"Compound":"Monomethyl phthalate","CAS":"4376-18-5","CAS.Checksum":true,"DTXSID":"DTXSID9040001","Formula":"C9H8O4","All.Compound.Names":"Monomethyl phthalate|Dtxsid9040001|4376-18-5","logHenry":-8.548,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.139,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.614,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.935,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.1,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.714,0.176,2.89","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,151,0.924","Human.Clint.pValue":0.9244,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.372,0.272,0.516","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"4376-18-5"}
{"Compound":"Viloxazine","CAS":"46817-91-8","CAS.Checksum":true,"DTXSID":"DTXSID6057900","Formula":"C13H19NO3","All.Compound.Names":"Viloxazine|Dtxsid6057900|46817-91-8","logHenry":-7.389,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.715,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.596,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.703,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.2,"MP.Reference":"EPA-CCD-OPERA","MW":237.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"46817-91-8"}
{"Compound":"Ketobemidone","CAS":"469-79-4","CAS.Checksum":true,"DTXSID":"DTXSID00196977","Formula":"C15H21NO2","All.Compound.Names":"Ketobemidone|469-79-4|Dtxsid00196977","logHenry":-8.969,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.025,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.017,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.624,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.4,"MP.Reference":"EPA-CCD-OPERA","MW":247.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.09","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"9.44","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.34,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"469-79-4"}
{"Compound":"Diprophylline","CAS":"479-18-5","CAS.Checksum":true,"DTXSID":"DTXSID6022975","Formula":"C10H14N4O4","All.Compound.Names":"Diprophylline|Dyphylline|479-18-5|Dtxsid6022975","logHenry":-9.766,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.096,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.46,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.02081,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.5,"MP.Reference":"EPA-CCD-OPERA","MW":254.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.11","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.91","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.96,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.97,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"479-18-5"}
{"Compound":"Daidzein","CAS":"486-66-8","CAS.Checksum":true,"DTXSID":"DTXSID9022310","Formula":"C15H10O4","All.Compound.Names":"Daidzein|7,4'-dihydroxyisoflavone|Dtxsid9022310|486-66-8","logHenry":-8.898,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.243,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.927,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.593,"logWSol.Reference":"EPA-CCD-OPERA","MP":278.5,"MP.Reference":"EPA-CCD-OPERA","MW":254.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"11.9,6.61,21.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"15.4,10.3,20.2,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0553,0.0454,0.0738","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"31.8","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0315","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"486-66-8"}
{"Compound":"Trichlorfon","CAS":"52-68-6","CAS.Checksum":true,"DTXSID":"DTXSID0021389","Formula":"C4H8Cl3O4P","All.Compound.Names":"Trichlorfon|Dtxsid0021389|52-68-6","logHenry":-6.832,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5114,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.727,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2879,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.95,"MP.Reference":"EPA-CCD-OPERA","MW":257.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.35","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.12","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"30.3,16.8,54.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"31.7,25.3,37.9,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.696,0.24,0.987","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"52-68-6"}
{"Compound":"Estrone","CAS":"53-16-7","CAS.Checksum":true,"DTXSID":"DTXSID4022367","Formula":"C18H22O2","All.Compound.Names":"Estrone|Dtxsid4022367|53-16-7","logHenry":-8.98,"logHenry.Reference":"EPA-CCD-OPERA","logMA":3.92,"logMA.Reference":"Endo 2011","logP":3.132,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.827,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.576,"logWSol.Reference":"EPA-CCD-OPERA","MP":260.1,"MP.Reference":"EPA-CCD-OPERA","MW":270.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"38.4,21.3,69","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,8.27,0.834","Human.Clint.pValue":0.8335,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0308,0.0213,0.0466","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"61.6","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0442","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"53-16-7"}
{"Compound":"Vindesine","CAS":"53643-48-4","CAS.Checksum":true,"DTXSID":"DTXSID6023739","Formula":"C43H55N5O7","All.Compound.Names":"Vindesine|Dtxsid6023739|53643-48-4","logHenry":-8.821,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.108,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.447,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.589,"logWSol.Reference":"EPA-CCD-OPERA","MP":231,"MP.Reference":"EPA-CCD-OPERA","MW":753.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.81","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.34,13.87,14.56","pKa_Donor.Reference":"Strope 2018","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53643-48-4"}
{"Compound":"Hypericin","CAS":"548-04-9","CAS.Checksum":true,"DTXSID":"DTXSID40203270","Formula":"C30H16O8","All.Compound.Names":"Hypericin|548-04-9|Dtxsid40203270","logHenry":-10.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.816,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.735,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.117,"logWSol.Reference":"EPA-CCD-OPERA","MP":235.1,"MP.Reference":"EPA-CCD-OPERA","MW":504.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.36","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"7.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.25,0.0492,1.27","Human.Caco2.Pab.Reference":"ChEMBL","Human.Foral":0.2,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"548-04-9"}
{"Compound":"Tamoxifen citrate","CAS":"54965-24-1","CAS.Checksum":true,"DTXSID":"DTXSID8021301","Formula":"C32H37NO8","All.Compound.Names":"Tamoxifen citrate|Dtxsid8021301|54965-24-1","logHenry":-7.651,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8373,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.86,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.318,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.8,"MP.Reference":"EPA-CCD-OPERA","MW":563.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,8.54,0.878","Human.Clint.pValue":0.878,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0012,1.59e-12,0.00336","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"23.6","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0075","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"54965-24-1"}
{"Compound":"Cefuroxime","CAS":"55268-75-2","CAS.Checksum":true,"DTXSID":"DTXSID5022774","Formula":"C16H16N4O8S","All.Compound.Names":"Cefuroxime|55268-75-2|Dtxsid5022774","logHenry":-12.03,"logHenry.Reference":"OPERA29","logP":-0.16,"logP.Reference":"OPERA29","logWSol":-3.32,"logWSol.Reference":"OPERA29","MP":182,"MP.Reference":"OPERA29","MW":424.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.44,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.32,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"55268-75-2"}
{"Compound":"Lithium carbonate","CAS":"554-13-2","CAS.Checksum":true,"DTXSID":"DTXSID1023784","Formula":"CLi2O3","All.Compound.Names":"Lithium carbonate|Dtxsid1023784|554-13-2","logHenry":-8.423,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1049,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.471,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.769,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.2,"MP.Reference":"EPA-CCD-OPERA","MW":73.89,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"554-13-2"}
{"Compound":"Acarbose","CAS":"56180-94-0","CAS.Checksum":true,"DTXSID":"DTXSID8046034","Formula":"C25H43NO18","All.Compound.Names":"Acarbose|56180-94-0|Dtxsid8046034","logHenry":-11.55,"logHenry.Reference":"OPERA29","logP":-2.59,"logP.Reference":"OPERA29","logWSol":-0.64,"logWSol.Reference":"OPERA29","MP":151,"MP.Reference":"OPERA29","MW":645.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.61","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.23,12.01,12.45","pKa_Donor.Reference":"Strope 2018","All.Species":"Human|Dog","Dog.Foral":0.04,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.01,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1.01,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.99,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.02,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"56180-94-0"}
{"Compound":"Medroxalol","CAS":"56290-94-9","CAS.Checksum":true,"DTXSID":"DTXSID30866550","Formula":"C20H24N2O5","All.Compound.Names":"Medroxalol|56290-94-9|Dtxsid30866550","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.331,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.101,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.323,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.7,"MP.Reference":"EPA-CCD-OPERA","MW":372.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.80","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.38,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"56290-94-9"}
{"Compound":"Clopyralid-olamine","CAS":"57754-85-5","CAS.Checksum":true,"DTXSID":"DTXSID6034265","Formula":"C8H10Cl2N2O3","All.Compound.Names":"Clopyralid-olamine|Dtxsid6034265|57754-85-5","logHenry":-8.309,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.453,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.933,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1354,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.5,"MP.Reference":"EPA-CCD-OPERA","MW":253.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.34","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"1.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9996,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.464,0.372,0.569","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"57754-85-5"}
{"Compound":"17alpha-estradiol","CAS":"57-91-0","CAS.Checksum":true,"DTXSID":"DTXSID8022377","Formula":"C18H24O2","All.Compound.Names":"17alpha-estradiol|Dtxsid8022377|57-91-0","logHenry":-5.426,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.909,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.244,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.874,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.9,"MP.Reference":"EPA-CCD-OPERA","MW":272.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"55.6,15.5,107,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"3.98e-05,2.88e-13,0.24","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"57-91-0"}
{"Compound":"Prochlorperazine","CAS":"58-38-8","CAS.Checksum":true,"DTXSID":"DTXSID7023514","Formula":"C20H24ClN3S","All.Compound.Names":"Prochlorperazine|58-38-8|Dtxsid7023514","logHenry":-7.188,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.879,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.827,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.398,"logWSol.Reference":"EPA-CCD-OPERA","MP":227.6,"MP.Reference":"EPA-CCD-OPERA","MW":373.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.452","Human.Clint.Reference":"Wood 2017","Human.Foral":0.15,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.0027","Human.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"58-38-8"}
{"Compound":"Ethacrynic acid","CAS":"58-54-8","CAS.Checksum":true,"DTXSID":"DTXSID3025257","Formula":"C13H12Cl2O4","All.Compound.Names":"Ethacrynic acid|58-54-8|Dtxsid3025257","logHenry":-8.484,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.264,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.35,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.103,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.5,"MP.Reference":"EPA-CCD-OPERA","MW":303.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"58-54-8"}
{"Compound":"Alizapride","CAS":"59338-93-1","CAS.Checksum":true,"DTXSID":"DTXSID10866755","Formula":"C16H21N5O2","All.Compound.Names":"Alizapride|Dtxsid10866755|59338-93-1","logHenry":-10.72,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.37,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.95,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.115,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.3,"MP.Reference":"EPA-CCD-OPERA","MW":315.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.26","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.86,13.57","pKa_Donor.Reference":"Strope 2018","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59338-93-1"}
{"Compound":"Thiodicarb","CAS":"59669-26-0","CAS.Checksum":true,"DTXSID":"DTXSID0032578","Formula":"C10H18N4O4S3","All.Compound.Names":"Thiodicarb|Dtxsid0032578|59669-26-0","logHenry":-8.627,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.702,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.018,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.109,"logWSol.Reference":"EPA-CCD-OPERA","MP":173,"MP.Reference":"EPA-CCD-OPERA","MW":354.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.45","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"7.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"839,175,1310,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"59669-26-0"}
{"Compound":"Propiconazole","CAS":"60207-90-1","CAS.Checksum":true,"DTXSID":"DTXSID8024280","Formula":"C15H17Cl2N3O2","All.Compound.Names":"Propiconazole|Dtxsid8024280|60207-90-1","logHenry":-5.417,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.717,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.486,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.449,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.62,"MP.Reference":"EPA-CCD-OPERA","MW":342.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"37.5,20.9,67.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"17,11.7,19.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0508,0.0428,0.0602","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"232","Rat.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"60207-90-1"}
{"Compound":"Methimazole","CAS":"60-56-0","CAS.Checksum":true,"DTXSID":"DTXSID4020820","Formula":"C4H6N2S","All.Compound.Names":"Methimazole|60-56-0|Dtxsid4020820","logHenry":-8.015,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3396,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.914,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.607,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.7,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.33","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.91","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.995","Human.Clint.pValue":0.9951,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.93,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"60-56-0"}
{"Compound":"Levomepromazine","CAS":"60-99-1","CAS.Checksum":true,"DTXSID":"DTXSID1023289","Formula":"C19H24N2OS","All.Compound.Names":"Levomepromazine|Levomethotrimeprazine|60-99-1|Dtxsid1023289","logHenry":-5.471,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.682,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.649,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.21,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.32,"MP.Reference":"EPA-CCD-OPERA","MW":328.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"13","Human.Clint.Reference":"Williamson 2020","Human.Fabs":0.53,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.53,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.74,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.056","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"60-99-1"}
{"Compound":"Oxiracetam","CAS":"62613-82-5","CAS.Checksum":true,"DTXSID":"DTXSID9045180","Formula":"C6H10N2O3","All.Compound.Names":"Oxiracetam|4-hydroxy-2-oxo-1-pyrrolidineacetamide|62613-82-5|Dtxsid9045180","logHenry":-10.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.125,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1942,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.3,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.4","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.75,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.75,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"62613-82-5"}
{"Compound":"Imipramine n-oxide","CAS":"6829-98-7","CAS.Checksum":true,"DTXSID":"DTXSID40218445","Formula":"C19H24N2O","All.Compound.Names":"Imipramine n-oxide|Imipraminoxide|Dtxsid40218445|6829-98-7","logHenry":-5.053,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.956,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.577,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.554,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.11,"MP.Reference":"EPA-CCD-OPERA","MW":296.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6829-98-7"}
{"Compound":"Cyfluthrin","CAS":"68359-37-5","CAS.Checksum":true,"DTXSID":"DTXSID5035957","Formula":"C22H18Cl2FNO3","All.Compound.Names":"Cyfluthrin|Dtxsid5035957","logHenry":-8.351,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.952,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.753,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.171,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.12,"MP.Reference":"EPA-CCD-OPERA","MW":434.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.31","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"23.8,9.18,935,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"1.82e-08,1.79e-13,0.00369","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"68359-37-5"}
{"Compound":"4-hydroxytamoxifen","CAS":"68392-35-8","CAS.Checksum":true,"DTXSID":"DTXSID3037094","Formula":"C26H29NO2","All.Compound.Names":"4-hydroxytamoxifen|Dtxsid3037094|68392-35-8","logHenry":-7.997,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.454,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.848,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.559,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.5,"MP.Reference":"EPA-CCD-OPERA","MW":387.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.66","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"10.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"16,10.8,18.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0153,0.00384,0.0181","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"68392-35-8"}
{"Compound":"Fluazifop-butyl","CAS":"69806-50-4","CAS.Checksum":true,"DTXSID":"DTXSID3034612","Formula":"C19H20F3NO4","All.Compound.Names":"Fluazifop-butyl|Dtxsid3034612|69806-50-4","logHenry":-7.455,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.5,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.363,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.559,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.152,"MP.Reference":"EPA-CCD-OPERA","MW":383.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"401,216,675,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00862,0.00159,0.0135","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"69806-50-4"}
{"Compound":"Dantrolene","CAS":"7261-97-4","CAS.Checksum":true,"DTXSID":"DTXSID7022881","Formula":"C14H10N4O5","All.Compound.Names":"Dantrolene|7261-97-4|Dtxsid7022881","logHenry":-9.073,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.894,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.965,"logWSol.Reference":"EPA-CCD-OPERA","MP":279.4,"MP.Reference":"EPA-CCD-OPERA","MW":314.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.7,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"7261-97-4"}
{"Compound":"Dilevalol","CAS":"75659-07-3","CAS.Checksum":true,"DTXSID":"DTXSID2043828","Formula":"C19H24N2O3","All.Compound.Names":"Dilevalol|(r,r)-dilevalol|75659-07-3|Dtxsid2043828","logHenry":-11.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.087,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.329,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.438,"logWSol.Reference":"EPA-CCD-OPERA","MP":188,"MP.Reference":"EPA-CCD-OPERA","MW":328.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.8","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"8.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.12,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"75659-07-3"}
{"Compound":"Procyclidine","CAS":"77-37-2","CAS.Checksum":true,"DTXSID":"DTXSID2023515","Formula":"C19H29NO","All.Compound.Names":"Procyclidine|77-37-2|Dtxsid2023515","logHenry":-6.543,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.176,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.933,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.183,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.06,"MP.Reference":"EPA-CCD-OPERA","MW":287.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.67","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.84","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4","Human.Clint.Reference":"Williamson 2020","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.78,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.96,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.75,"Human.Foral.Reference":"Varma 2010","Human.Funbound.plasma":"0.222","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"77-37-2"}
{"Compound":"Dichloroacetic acid","CAS":"79-43-6","CAS.Checksum":true,"DTXSID":"DTXSID2020428","Formula":"C2H2Cl2O2","All.Compound.Names":"Dichloroacetic acid|Dtxsid2020428|79-43-6","logHenry":-8.076,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.919,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.356,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8849,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.58,"MP.Reference":"EPA-CCD-OPERA","MW":128.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-43-6"}
{"Compound":"Idazoxan","CAS":"79944-58-4","CAS.Checksum":true,"DTXSID":"DTXSID6045161","Formula":"C11H12N2O2","All.Compound.Names":"Idazoxan|79944-58-4|Dtxsid6045161","logHenry":-9.002,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.629,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.055,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.341,"logWSol.Reference":"EPA-CCD-OPERA","MP":154,"MP.Reference":"EPA-CCD-OPERA","MW":204.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.95,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.63,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.57,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.34,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"79944-58-4"}
{"Compound":"3,3',5,5'-tetrabromobisphenol a","CAS":"79-94-7","CAS.Checksum":true,"DTXSID":"DTXSID1026081","Formula":"C15H12Br4O2","All.Compound.Names":"3,3',5,5'-tetrabromobisphenol a|Dtxsid1026081|79-94-7","logHenry":-7.753,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.663,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.68,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.749,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.9,"MP.Reference":"EPA-CCD-OPERA","MW":543.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"50.5,12.5,102,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00107,0.000247,0.00602","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"15.2","Rat.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"79-94-7"}
{"Compound":"Bambuterol","CAS":"81732-65-2","CAS.Checksum":true,"DTXSID":"DTXSID5048550","Formula":"C18H29N3O5","All.Compound.Names":"Bambuterol|81732-65-2|Dtxsid5048550","logHenry":-10.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.166,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.221,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.177,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.1,"MP.Reference":"EPA-CCD-OPERA","MW":367.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.52","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.15,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"81732-65-2"}
{"Compound":"Roquinimex","CAS":"84088-42-6","CAS.Checksum":true,"DTXSID":"DTXSID4045680","Formula":"C18H16N2O3","All.Compound.Names":"Roquinimex|84088-42-6|Dtxsid4045680","logHenry":-8.348,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.109,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.594,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.362,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.2,"MP.Reference":"EPA-CCD-OPERA","MW":308.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.62","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.52","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"84088-42-6"}
{"Compound":"Meso-hexestrol","CAS":"84-16-2","CAS.Checksum":true,"DTXSID":"DTXSID2022381","Formula":"C18H22O2","All.Compound.Names":"Meso-hexestrol|Dtxsid2022381|Hexestrol|84-16-2","logHenry":-6.493,"logHenry.Reference":"EPA-CCD-OPERA","logMA":4.58,"logMA.Reference":"Endo 2011","logP":4.274,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.872,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.428,"logWSol.Reference":"EPA-CCD-OPERA","MP":186,"MP.Reference":"EPA-CCD-OPERA","MW":270.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"14,0,1060,0.41","Human.Clint.pValue":0.4102,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00772,0.00364,0.0228","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"71.8","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"84-16-2"}
{"Compound":"4-nonylphenol, branched","CAS":"84852-15-3","CAS.Checksum":true,"DTXSID":"DTXSID5029055","All.Compound.Names":"4-nonylphenol, branched|4-nonylphenol (branched)","logP":5.034,"logP.Reference":"Wambaugh 2019","MW":220.2,"MW.Reference":"Wambaugh 2019","pKa_Donor":"10.31","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Human.Clint":"104","Human.Clint.Reference":"Black 2021","Human.Funbound.plasma":"1.41e-07,1.79e-13,0.0837","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"84852-15-3"}
{"Compound":"Temozolomide","CAS":"85622-93-1","CAS.Checksum":true,"DTXSID":"DTXSID5043714","Formula":"C6H6N6O2","All.Compound.Names":"Temozolomide|85622-93-1|Dtxsid5043714","logHenry":-9.839,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6045,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.569,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.445,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.3,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.86","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.96,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"85622-93-1"}
{"Compound":"Flumiclorac-pentyl","CAS":"87546-18-7","CAS.Checksum":true,"DTXSID":"DTXSID2032554","Formula":"C21H23ClFNO5","All.Compound.Names":"Flumiclorac-pentyl|Dtxsid2032554|87546-18-7","logHenry":-7.522,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.988,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.694,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.348,"logWSol.Reference":"EPA-CCD-OPERA","MP":88.92,"MP.Reference":"EPA-CCD-OPERA","MW":423.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"432,260,1260,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"87546-18-7"}
{"Compound":"Panipenem","CAS":"87726-17-8","CAS.Checksum":true,"DTXSID":"DTXSID20868982","Formula":"C15H21N3O4S","All.Compound.Names":"Panipenem|Dtxsid20868982|87726-17-8","logHenry":-10.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.097,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.184,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.954,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.6,"MP.Reference":"EPA-CCD-OPERA","MW":339.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"12.21","pKa_Accept.Reference":"Strope 2018","pKa_Donor":"3.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87726-17-8"}
{"Compound":"Fostriecin","CAS":"87810-56-8","CAS.Checksum":true,"DTXSID":"DTXSID00868985","Formula":"C19H27O9P","All.Compound.Names":"Fostriecin|Dtxsid00868985|87810-56-8","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4258,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6072,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.2,"MP.Reference":"EPA-CCD-OPERA","MW":430.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87810-56-8"}
{"Compound":"Tralkoxydim","CAS":"87820-88-0","CAS.Checksum":true,"DTXSID":"DTXSID1034973","Formula":"C20H27NO3","All.Compound.Names":"Tralkoxydim|Dtxsid1034973|87820-88-0","logHenry":-8.07,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.461,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.27,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.733,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.9,"MP.Reference":"EPA-CCD-OPERA","MW":329.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.74","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"8.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"45.6,25.4,82","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.992","Human.Clint.pValue":0.9916,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.169,0.146,0.204","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"87820-88-0"}
{"Compound":"2,5-di-tert-butylbenzene-1,4-diol","CAS":"88-58-4","CAS.Checksum":true,"DTXSID":"DTXSID8041248","Formula":"C14H22O2","All.Compound.Names":"2,5-di-tert-butylbenzene-1,4-diol|Dtxsid8041248|88-58-4","logHenry":-6.011,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.59,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.543,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.701,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.7,"MP.Reference":"EPA-CCD-OPERA","MW":222.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"117,5.1,1120,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"1.83e-07,2.02e-13,0.0756","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"88-58-4"}
{"Compound":"Bisaramil","CAS":"89194-77-4","CAS.Checksum":true,"DTXSID":"DTXSID30237569","Formula":"C17H23ClN2O2","All.Compound.Names":"Bisaramil|Dtxsid30237569|89194-77-4","logHenry":-8.021,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.644,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.658,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.825,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.26,"MP.Reference":"EPA-CCD-OPERA","MW":322.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89194-77-4"}
{"Compound":"Tropisetron","CAS":"89565-68-4","CAS.Checksum":true,"DTXSID":"DTXSID2044137","Formula":"C17H20N2O2","All.Compound.Names":"Tropisetron|89565-68-4|Dtxsid2044137","logHenry":-9.564,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.728,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.278,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.648,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.8,"MP.Reference":"EPA-CCD-OPERA","MW":284.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.03","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.18","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.66,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"89565-68-4"}
{"Compound":"Primaquine","CAS":"90-34-6","CAS.Checksum":true,"DTXSID":"DTXSID8023509","Formula":"C15H21N3O","All.Compound.Names":"Primaquine|90-34-6|Dtxsid8023509","logHenry":-8.498,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.272,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.894,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.068,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.4,"MP.Reference":"EPA-CCD-OPERA","MW":259.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.69","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.96,"Human.Foral.Reference":"Kim 2014","Rat.Foral":0.25,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"90-34-6"}
{"Compound":"Abanoquil","CAS":"90402-40-7","CAS.Checksum":true,"DTXSID":"DTXSID40238163","Formula":"C22H25N3O4","All.Compound.Names":"Abanoquil|Dtxsid40238163|90402-40-7","logHenry":-8.22,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.532,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.723,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.945,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.9,"MP.Reference":"EPA-CCD-OPERA","MW":395.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90402-40-7"}
{"Compound":"Denatonium saccharide","CAS":"90823-38-4","CAS.Checksum":true,"DTXSID":"DTXSID9034361","Formula":"C28H33N3O4S","All.Compound.Names":"Denatonium saccharide|Dtxsid9034361|90823-38-4","logHenry":-8.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8279,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.679,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.026,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.4,"MP.Reference":"EPA-CCD-OPERA","MW":507.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.92","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.14","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9997,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.488,0.425,0.579","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"90823-38-4"}
{"Compound":"Thionylan (methapyrilene)","CAS":"91-80-5","CAS.Checksum":true,"DTXSID":"DTXSID2023278","Formula":"C14H19N3S","All.Compound.Names":"Thionylan (methapyrilene)|Methapyrilene|91-80-5|Dtxsid2023278","logHenry":-5.606,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.866,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.848,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.643,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.67,"MP.Reference":"EPA-CCD-OPERA","MW":261.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.2,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"91-80-5"}
{"Compound":"2-chloro-4-phenylphenol","CAS":"92-04-6","CAS.Checksum":true,"DTXSID":"DTXSID0022353","Formula":"C12H9ClO","All.Compound.Names":"2-chloro-4-phenylphenol|Dtxsid0022353|3-chloro[1,1'-biphenyl]-4-ol|92-04-6","logHenry":-7.254,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.165,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.014,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.672,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.08,"MP.Reference":"EPA-CCD-OPERA","MW":204.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"49.2,0,1260,0.481","Human.Clint.pValue":0.4811,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"1.17e-08,1.6e-13,0.00158","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"92-04-6"}
{"Compound":"Trinexapac-ethyl","CAS":"95266-40-3","CAS.Checksum":true,"DTXSID":"DTXSID9032535","Formula":"C13H16O5","All.Compound.Names":"Trinexapac-ethyl|Dtxsid9032535","logHenry":-8.27,"logHenry.Reference":"OPERA29","logP":1.6,"logP.Reference":"OPERA29","logWSol":-3.17,"logWSol.Reference":"OPERA29","MP":36,"MP.Reference":"OPERA29","MW":252.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.66","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"55.3,30.7,99.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"3.82,2.41,4.82,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.137,0.118,0.162","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"95266-40-3"}
{"Compound":"Sodium valproate","CAS":"1069-66-5","CAS.Checksum":true,"DTXSID":"DTXSID5037072","Formula":"C8H15NaO2","All.Compound.Names":"Sodium valproate|Dtxsid5037072|1069-66-5","logHenry":-6.08,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4545,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.456,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.859,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.3,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1069-66-5"}
{"Compound":"Floxacillin sodium salt","CAS":"1847-24-1","CAS.Checksum":true,"DTXSID":"DTXSID6045115","Formula":"C19H16ClFN3NaO5S","All.Compound.Names":"Floxacillin sodium salt|Dtxsid6045115|1847-24-1","logHenry":-10.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.164,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.476,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.201,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.8,"MP.Reference":"EPA-CCD-OPERA","MW":475.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1847-24-1"}
{"Compound":"Mefenamic acid","CAS":"61-68-7","CAS.Checksum":true,"DTXSID":"DTXSID5023243","Formula":"C15H15NO2","All.Compound.Names":"Mefenamic acid|61-68-7|Dtxsid5023243","logHenry":-9.727,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.114,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.079,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.593,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.3,"MP.Reference":"EPA-CCD-OPERA","MW":241.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"17.8,7.89,40.1","Human.Caco2.Pab.Reference":"Lanevskij","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"61-68-7"}
{"Compound":"Fenspiride","CAS":"5053-06-5","CAS.Checksum":true,"DTXSID":"DTXSID4023048","Formula":"C15H20N2O2","All.Compound.Names":"Fenspiride|5053-06-5|Dtxsid4023048","logHenry":-9.487,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.31,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.67,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.9,"MP.Reference":"EPA-CCD-OPERA","MW":260.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.19","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.29","pKa_Donor.Reference":"Strope 2018","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.93,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.97,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"5053-06-5"}
{"Compound":"Mebeverine hydrochloride","CAS":"2753-45-9","CAS.Checksum":true,"DTXSID":"DTXSID1045372","Formula":"C25H36ClNO5","All.Compound.Names":"Mebeverine hydrochloride|Dtxsid1045372|2753-45-9","logHenry":-6.533,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.171,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.52,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.969,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.49,"MP.Reference":"EPA-CCD-OPERA","MW":466,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2753-45-9"}
{"Compound":"7-hydroxymethotrexate","CAS":"5939-37-7","CAS.Checksum":true,"DTXSID":"DTXSID70891503","Formula":"C20H22N8O6","All.Compound.Names":"7-hydroxymethotrexate|Dtxsid70891503|5939-37-7","logHenry":-10.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3392,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.884,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.3,"MP.Reference":"EPA-CCD-OPERA","MW":470.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.42","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"-1.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.13","Human.Funbound.plasma.Reference":"Uchimura 2010","Human.Rblood2plasma":0.56,"Human.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"5939-37-7"}
{"Compound":"(r)-carvedilol","CAS":"95093-99-5","CAS.Checksum":true,"DTXSID":"DTXSID90241748","Formula":"C24H26N2O4","All.Compound.Names":"(r)-carvedilol|Dtxsid90241748|95093-99-5","logHenry":-9.988,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.188,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.227,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.739,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.6,"MP.Reference":"EPA-CCD-OPERA","MW":406.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.1","pKa_Accept.Reference":"Pearce 2017","pKa_Donor":"8.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.0045","Human.Funbound.plasma.Reference":"Uchimura 2010","Human.Rblood2plasma":0.67,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Funbound.plasma":"0.019","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":0.81,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"95093-99-5"}
{"Compound":"(s)-carvedilol","CAS":"95094-00-1","CAS.Checksum":true,"DTXSID":"DTXSID50241749","Formula":"C24H26N2O4","All.Compound.Names":"(s)-carvedilol|Dtxsid50241749|95094-00-1","logHenry":-9.988,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.188,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.227,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.739,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.6,"MP.Reference":"EPA-CCD-OPERA","MW":406.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.1","pKa_Accept.Reference":"Pearce 2017","pKa_Donor":"8.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.0063","Human.Funbound.plasma.Reference":"Uchimura 2010","Human.Rblood2plasma":0.74,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Funbound.plasma":"0.037","Rat.Funbound.plasma.Reference":"Pearce 2017","Rat.Rblood2plasma":1.01,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"95094-00-1"}
{"Compound":"Etidocaine","CAS":"36637-18-0","CAS.Checksum":true,"DTXSID":"DTXSID1023027","Formula":"C17H28N2O","All.Compound.Names":"Etidocaine|36637-18-0|Dtxsid1023027","logHenry":-9.415,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.69,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.705,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.053,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.77,"MP.Reference":"EPA-CCD-OPERA","MW":276.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.06","Human.Funbound.plasma.Reference":"Uchimura 2010","Human.Rblood2plasma":0.6,"Human.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"36637-18-0"}
{"Compound":"Mefloquine","CAS":"53230-10-7","CAS.Checksum":true,"DTXSID":"DTXSID4037168","Formula":"C17H16F6N2O","All.Compound.Names":"Mefloquine|53230-10-7|Dtxsid4037168","logHenry":-9.666,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.49,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.496,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.757,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.6,"MP.Reference":"EPA-CCD-OPERA","MW":378.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.8,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Uchimura 2010","Human.Rblood2plasma":1,"Human.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"53230-10-7"}
{"Compound":"Norcisapride","CAS":"84946-16-7","CAS.Checksum":true,"DTXSID":"DTXSID00870220","Formula":"C14H20ClN3O3","All.Compound.Names":"Norcisapride|4-amino-5-chloro-2-methoxy-n-(3-methoxypiperidin-4-yl)benzamide|Dtxsid00870220|84946-16-7","logHenry":-9.933,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.206,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.069,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.414,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.5,"MP.Reference":"EPA-CCD-OPERA","MW":313.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.63","Human.Funbound.plasma.Reference":"Uchimura 2010","Human.Rblood2plasma":1.6,"Human.Rblood2plasma.Reference":"Uchimura 2010","Rat.Clint":"0","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.65","Rat.Funbound.plasma.Reference":"Uchimura 2010","Rat.Rblood2plasma":1.5,"Rat.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"84946-16-7"}
{"Compound":"Sertraline","CAS":"79617-96-2","CAS.Checksum":true,"DTXSID":"DTXSID6023577","Formula":"C17H17Cl2N","All.Compound.Names":"Sertraline|79617-96-2|Dtxsid6023577","logHenry":-4.19,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.81,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.631,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.828,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.4,"MP.Reference":"EPA-CCD-OPERA","MW":306.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.44,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.01","Human.Funbound.plasma.Reference":"Uchimura 2010","Human.Rblood2plasma":0.7,"Human.Rblood2plasma.Reference":"Uchimura 2010","Chemical.Class":"","_row":"79617-96-2"}
{"Compound":"P,p'-dde","CAS":"72-55-9","CAS.Checksum":true,"DTXSID":"DTXSID9020374","Formula":"C14H8Cl4","All.Compound.Names":"P,p'-dde|Dtxsid9020374","logHenry":-4.381,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.733,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.709,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.778,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.02,"MP.Reference":"EPA-CCD-OPERA","MW":318,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"199,22.9,1190,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"1.62e-06,2.36e-13,0.973","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"72-55-9"}
{"Compound":"2,4-dichlorophenol","CAS":"120-83-2","CAS.Checksum":true,"DTXSID":"DTXSID1020439","Formula":"C6H4Cl2O","All.Compound.Names":"2,4-dichlorophenol|Dtxsid1020439|120-83-2","logHenry":-5.875,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.06,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.253,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.559,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.26,"MP.Reference":"EPA-CCD-OPERA","MW":163,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.23","Human.Funbound.plasma.Reference":"Gulden 2002","Chemical.Class":"","_row":"120-83-2"}
{"Compound":"4-chlorophenol","CAS":"106-48-9","CAS.Checksum":true,"DTXSID":"DTXSID1021871","Formula":"C6H5ClO","All.Compound.Names":"4-chlorophenol|Dtxsid1021871|106-48-9","logHenry":-6.204,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.391,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.583,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7213,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.61,"MP.Reference":"EPA-CCD-OPERA","MW":128.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.23","Human.Funbound.plasma.Reference":"Gulden 2002","Chemical.Class":"","_row":"106-48-9"}
{"Compound":"(s)-mephenytoin","CAS":"70989-04-7","CAS.Checksum":true,"DTXSID":"DTXSID7046126","Formula":"C12H14N2O2","All.Compound.Names":"(s)-mephenytoin|Dtxsid7046126|70989-04-7","logHenry":-8.508,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.689,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.932,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.594,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.5,"MP.Reference":"EPA-CCD-OPERA","MW":218.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.4","Human.Clint.Reference":"Brown 2007","Chemical.Class":"","_row":"70989-04-7"}
{"Compound":"Terfenadine","CAS":"50679-08-8","CAS.Checksum":true,"DTXSID":"DTXSID2023642","Formula":"C32H41NO2","All.Compound.Names":"Terfenadine|50679-08-8|Dtxsid2023642","logHenry":-7.647,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.418,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.687,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.1,"MP.Reference":"EPA-CCD-OPERA","MW":471.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"156.4","Human.Clint.Reference":"Brown 2007","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"50679-08-8"}
{"Compound":"Olanzapine","CAS":"132539-06-1","CAS.Checksum":true,"DTXSID":"DTXSID9023388","Formula":"C17H20N4S","All.Compound.Names":"Olanzapine|132539-06-1|Dtxsid9023388","logHenry":-9.271,"logHenry.Reference":"EPA-CCD-OPERA","logP":3,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.889,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.145,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.4,"MP.Reference":"EPA-CCD-OPERA","MW":312.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2","Human.Clint.Reference":"Jones 2017","Human.Foral":0.6,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"132539-06-1"}
{"Compound":"Itopride","CAS":"122898-67-3","CAS.Checksum":true,"DTXSID":"DTXSID7048320","Formula":"C20H26N2O4","All.Compound.Names":"Itopride|Dtxsid7048320|122898-67-3","logHenry":-9.942,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.204,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.468,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.3,"MP.Reference":"EPA-CCD-OPERA","MW":358.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"11","Human.Clint.Reference":"Jones 2017","Chemical.Class":"","_row":"122898-67-3"}
{"Compound":"Tozasertib","CAS":"639089-54-6","CAS.Checksum":true,"DTXSID":"DTXSID10213609","Formula":"C23H28N8OS","All.Compound.Names":"Tozasertib|Dtxsid10213609|639089-54-6","logHenry":-9.545,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.601,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.91,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.056,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.7,"MP.Reference":"EPA-CCD-OPERA","MW":464.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"29","Human.Clint.Reference":"Jones 2017","Human.Funbound.plasma":"0.069","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"639089-54-6"}
{"Compound":"Atorvastatin","CAS":"134523-00-5","CAS.Checksum":true,"DTXSID":"DTXSID8029868","Formula":"C33H35FN2O5","All.Compound.Names":"Atorvastatin|Dtxsid8029868|134523-00-5","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.815,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.702,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.172,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.4,"MP.Reference":"EPA-CCD-OPERA","MW":558.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0","Human.Clint.Reference":"Wood 2017","Human.Funbound.plasma":"0.02","Human.Funbound.plasma.Reference":"Wood 2017","Rat.Clint":"86.04","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.044","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"134523-00-5"}
{"Compound":"Levoprotiline","CAS":"76496-68-9","CAS.Checksum":true,"DTXSID":"DTXSID40227299","Formula":"C20H23NO","All.Compound.Names":"Levoprotiline|76496-68-9|Dtxsid40227299","logHenry":-6.55,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.799,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.105,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.5,"MP.Reference":"EPA-CCD-OPERA","MW":293.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.76","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.037","Human.Clint.Reference":"Wood 2017","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.84,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.47,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.4,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.19","Human.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"76496-68-9"}
{"Compound":"Oxaprozin","CAS":"21256-18-8","CAS.Checksum":true,"DTXSID":"DTXSID1045118","Formula":"C18H15NO3","All.Compound.Names":"Oxaprozin|21256-18-8|Dtxsid1045118","logHenry":-9.375,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.187,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.475,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.138,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.9,"MP.Reference":"EPA-CCD-OPERA","MW":293.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.79","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"33.1,14.7,74.6","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"4.673","Human.Clint.Reference":"Wood 2017","Human.Foral":0.98,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.00039","Human.Funbound.plasma.Reference":"Wood 2017","Human.Rblood2plasma":0.55,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Chemical.Class":"","_row":"21256-18-8"}
{"Compound":"(-)-propranolol","CAS":"4199-09-1","CAS.Checksum":true,"DTXSID":"DTXSID90873366","Formula":"C16H21NO2","All.Compound.Names":"(-)-propranolol|(s)-propranolol|Dtxsid90873366|4199-09-1","logHenry":-8.846,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.475,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.924,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.228,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.3,"MP.Reference":"EPA-CCD-OPERA","MW":259.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7.399","Human.Clint.Reference":"Wood 2017","Human.Funbound.plasma":"0.15","Human.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"4199-09-1"}
{"Compound":"(+)-propranolol","CAS":"5051-22-9","CAS.Checksum":true,"DTXSID":"DTXSID3045304","Formula":"C16H21NO2","All.Compound.Names":"(+)-propranolol|Dexpropranolol|Dtxsid3045304|5051-22-9","logHenry":-8.846,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.475,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.924,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.228,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.3,"MP.Reference":"EPA-CCD-OPERA","MW":259.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"8.956","Human.Clint.Reference":"Wood 2017","Human.Funbound.plasma":"0.16","Human.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"5051-22-9"}
{"Compound":"Fexofenadine","CAS":"83799-24-0","CAS.Checksum":true,"DTXSID":"DTXSID00861411","Formula":"C32H39NO4","All.Compound.Names":"Fexofenadine|83799-24-0|Dtxsid00861411","logHenry":-7.614,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.506,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.948,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.257,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.6,"MP.Reference":"EPA-CCD-OPERA","MW":501.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.78","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human|Mouse|Monkey","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.4,0.0788,2.03","Human.Caco2.Pab.Reference":"ChEMBL","Human.Foral":0.7,"Human.Foral.Reference":"Kim 2014","Monkey.Foral":0.066,"Monkey.Foral.Reference":"Musther 2014","Mouse.Foral":0.0238,"Mouse.Foral.Reference":"Musther 2014","Rat.Clint":"21.04","Rat.Clint.Reference":"Wood 2017","Rat.Foral":0.03782,"Rat.Foral.Reference":"Musther 2014","Rat.Funbound.plasma":"0.34","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"83799-24-0"}
{"Compound":"Nelfinavir","CAS":"159989-64-7","CAS.Checksum":true,"DTXSID":"DTXSID5035080","Formula":"C32H45N3O4S","All.Compound.Names":"Nelfinavir|159989-64-7|Dtxsid5035080","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.654,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.859,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.796,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.8,"MP.Reference":"EPA-CCD-OPERA","MW":567.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"2.21,0.98,4.98","Human.Caco2.Pab.Reference":"Lanevskij,ChEMBL","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Rat.Clint":"8556","Rat.Clint.Reference":"Wood 2017","Rat.Funbound.plasma":"0.035","Rat.Funbound.plasma.Reference":"Wood 2017","Chemical.Class":"","_row":"159989-64-7"}
{"Compound":"Etodolac","CAS":"41340-25-4","CAS.Checksum":true,"DTXSID":"DTXSID9020615","Formula":"C17H21NO3","All.Compound.Names":"Etodolac|41340-25-4|Dtxsid9020615","logHenry":-8.862,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.879,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.321,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.882,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.6,"MP.Reference":"EPA-CCD-OPERA","MW":287.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"21.9,9.71,49.3","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"7.9","Human.Clint.Reference":"Sternbeck 2012","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.008","Human.Funbound.plasma.Reference":"Sternbeck 2012","Human.Rblood2plasma":0.6,"Human.Rblood2plasma.Reference":"Sternbeck 2012","Chemical.Class":"","_row":"41340-25-4"}
{"Compound":"Bromperidol","CAS":"10457-90-6","CAS.Checksum":true,"DTXSID":"DTXSID0022690","Formula":"C21H23BrFNO2","All.Compound.Names":"Bromperidol|Dtxsid0022690","logHenry":-8.064,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.872,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.514,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.672,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.9,"MP.Reference":"EPA-CCD-OPERA","MW":420.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.07","pKa_Accept.Reference":"Pearce 2017","pKa_Donor":"13.97","pKa_Donor.Reference":"Pearce 2017","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10457-90-6"}
{"Compound":"5-butyl barbituric acid","CAS":"1953-33-9","CAS.Checksum":true,"DTXSID":"DTXSID7062085","Formula":"C8H12N2O3","All.Compound.Names":"5-butyl barbituric acid|Dtxsid7062085|1953-33-9","logHenry":-8.449,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7679,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.654,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.746,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.8,"MP.Reference":"EPA-CCD-OPERA","MW":184.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.61","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"1953-33-9"}
{"Compound":"Ethyl barbituric acid","CAS":"2518-72-1","CAS.Checksum":true,"DTXSID":"DTXSID90179850","Formula":"C6H8N2O3","All.Compound.Names":"Ethyl barbituric acid|5-ethylbarbituric acid|Dtxsid90179850|2518-72-1","logHenry":-8.455,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3501,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.526,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.431,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.9,"MP.Reference":"EPA-CCD-OPERA","MW":156.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.95","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"2518-72-1"}
{"Compound":"(r)-(-)-etodolac","CAS":"87226-41-3","CAS.Checksum":true,"DTXSID":"DTXSID60233938","Formula":"C17H21NO3","All.Compound.Names":"(r)-(-)-etodolac|(-)-etodolac|Dtxsid60233938|87226-41-3","logHenry":-8.862,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.879,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.321,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.882,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.6,"MP.Reference":"EPA-CCD-OPERA","MW":287.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.0046","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"87226-41-3"}
{"Compound":"S-etodolac","CAS":"87249-11-4","CAS.Checksum":true,"DTXSID":"DTXSID201043544","Formula":"C17H21NO3","All.Compound.Names":"S-etodolac|[(1s)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid|87249-11-4","logHenry":-9.6,"logHenry.Reference":"OPERA29","logP":3.43,"logP.Reference":"OPERA29","logWSol":-2.48,"logWSol.Reference":"OPERA29","MP":208,"MP.Reference":"OPERA29","MW":287.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.017","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"87249-11-4"}
{"Compound":"Flurazepam","CAS":"17617-23-1","CAS.Checksum":true,"DTXSID":"DTXSID1023071","Formula":"C21H23ClFN3O","All.Compound.Names":"Flurazepam|17617-23-1|Dtxsid1023071","logHenry":-8.078,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.443,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.264,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.555,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.62,"MP.Reference":"EPA-CCD-OPERA","MW":387.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.83,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"17617-23-1"}
{"Compound":"Ftorafur","CAS":"17902-23-7","CAS.Checksum":true,"DTXSID":"DTXSID001009966","Formula":"C8H9FN2O3","All.Compound.Names":"Ftorafur|Tegafur|Dtxsid001009966|17902-23-7","logHenry":-8.422,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2674,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.774,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.999,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.2,"MP.Reference":"EPA-CCD-OPERA","MW":200.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.78","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"17902-23-7"}
{"Compound":"Fty-720","CAS":"162359-56-0","CAS.Checksum":true,"DTXSID":"DTXSID00167364","Formula":"C19H34ClNO2","All.Compound.Names":"Fty-720|Fingolimod hydrochloride|Dtxsid00167364|162359-56-0","logHenry":-7.347,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8839,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.385,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.686,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.9,"MP.Reference":"EPA-CCD-OPERA","MW":343.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"3e-04","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"162359-56-0"}
{"Compound":"Glycyrrhetinic acid","CAS":"471-53-4","CAS.Checksum":true,"DTXSID":"DTXSID9020669","Formula":"C30H46O4","All.Compound.Names":"Glycyrrhetinic acid|Dtxsid9020669|471-53-4","logHenry":-7.635,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.616,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.989,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.811,"logWSol.Reference":"EPA-CCD-OPERA","MP":296,"MP.Reference":"EPA-CCD-OPERA","MW":470.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.05","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"471-53-4"}
{"Compound":"Heptyl barbituric acid","CAS":"60784-70-5","CAS.Checksum":true,"DTXSID":"DTXSID50872976","Formula":"C13H22N2O3","All.Compound.Names":"Heptyl barbituric acid|5-ethyl-5-n-heptylbarbituric acid|Dtxsid50872976|60784-70-5","logHenry":-8.45,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.909,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.4,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.218,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.8,"MP.Reference":"EPA-CCD-OPERA","MW":254.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.066","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"60784-70-5"}
{"Compound":"Hexyl barbituric acid","CAS":"1953-34-0","CAS.Checksum":true,"DTXSID":"DTXSID70293821","Formula":"C10H16N2O3","All.Compound.Names":"Hexyl barbituric acid|5-hexylpyrimidine-2,4,6(1h,3h,5h)-trione|Dtxsid70293821|1953-34-0","logHenry":-8.449,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.318,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.822,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.093,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.9,"MP.Reference":"EPA-CCD-OPERA","MW":212.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.9","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"1953-34-0"}
{"Compound":"Inaperisone","CAS":"99323-21-4","CAS.Checksum":true,"DTXSID":"DTXSID60869332","Formula":"C16H23NO","All.Compound.Names":"Inaperisone|(+/-)-inaperisone|Dtxsid60869332|99323-21-4","logHenry":-7.732,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.668,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.846,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.876,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.34,"MP.Reference":"EPA-CCD-OPERA","MW":245.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.24","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"99323-21-4"}
{"Compound":"Loperamide","CAS":"53179-11-6","CAS.Checksum":true,"DTXSID":"DTXSID6045165","Formula":"C29H33ClN2O2","All.Compound.Names":"Loperamide|53179-11-6|Dtxsid6045165","logHenry":-9.836,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.089,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.111,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.655,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.2,"MP.Reference":"EPA-CCD-OPERA","MW":477,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"20.9,9.27,47.1","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"13.8","Human.Clint.Reference":"Dawson 2021","Human.Foral":0.4,"Human.Foral.Reference":"Kim 2014","Rat.Funbound.plasma":"0.02","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"53179-11-6"}
{"Compound":"Lomefloxacin","CAS":"98079-51-7","CAS.Checksum":true,"DTXSID":"DTXSID4040680","Formula":"C17H19F2N3O3","All.Compound.Names":"Lomefloxacin|98079-51-7|Dtxsid4040680","logHenry":-10.35,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2991,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.581,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.532,"logWSol.Reference":"EPA-CCD-OPERA","MP":239.7,"MP.Reference":"EPA-CCD-OPERA","MW":351.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.3","pKa_Accept.Reference":"Pearce 2017","pKa_Donor":"-1.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.97,"Human.Foral.Reference":"Kim 2014","Rat.Funbound.plasma":"0.72","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"98079-51-7"}
{"Compound":"Medazepam","CAS":"2898-12-6","CAS.Checksum":true,"DTXSID":"DTXSID1048708","Formula":"C16H15ClN2","All.Compound.Names":"Medazepam|Dtxsid1048708|2898-12-6","logHenry":-6.042,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.408,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.627,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.683,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.82,"MP.Reference":"EPA-CCD-OPERA","MW":270.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2898-12-6"}
{"Compound":"1-methyl barbituric acid","CAS":"2565-47-1","CAS.Checksum":true,"DTXSID":"DTXSID70180348","Formula":"C5H6N2O3","All.Compound.Names":"1-methyl barbituric acid|Dtxsid70180348|2565-47-1","logHenry":-7.685,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8502,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.853,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.449,"logWSol.Reference":"EPA-CCD-OPERA","MP":243.8,"MP.Reference":"EPA-CCD-OPERA","MW":142.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"1","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"2565-47-1"}
{"Compound":"N-methylpentobarbital","CAS":"57562-99-9","CAS.Checksum":true,"DTXSID":"DTXSID40874368","Formula":"C12H20N2O3","All.Compound.Names":"N-methylpentobarbital|Barbituric acid,5(1mebu)-5-et-1-me|Dtxsid40874368|57562-99-9","logHenry":-7.842,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.45,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.799,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.237,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.69,"MP.Reference":"EPA-CCD-OPERA","MW":240.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57562-99-9"}
{"Compound":"Miloxacin","CAS":"37065-29-5","CAS.Checksum":true,"DTXSID":"DTXSID70190563","Formula":"C12H9NO6","All.Compound.Names":"Miloxacin|Dtxsid70190563|37065-29-5","logHenry":-8.814,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.402,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.61,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.185,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.2,"MP.Reference":"EPA-CCD-OPERA","MW":263.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.14","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"37065-29-5"}
{"Compound":"Neostigmine","CAS":"59-99-4","CAS.Checksum":true,"DTXSID":"DTXSID1023360","Formula":"C12H19N2O2","All.Compound.Names":"Neostigmine|59-99-4|Dtxsid1023360","logHenry":-4.122,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.575,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.329,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.924,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.46,"MP.Reference":"EPA-CCD-OPERA","MW":223.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.05,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.36,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.84,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.02,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"59-99-4"}
{"Compound":"Nonyl barbituric acid","CAS":"14077-86-2","CAS.Checksum":true,"DTXSID":"DTXSID10161474","Formula":"C13H22N2O3","All.Compound.Names":"Nonyl barbituric acid|Barbituric acid, 5-nonyl-|Dtxsid10161474|14077-86-2","logHenry":-8.45,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.805,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.525,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.137,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.2,"MP.Reference":"EPA-CCD-OPERA","MW":254.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.0093","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"14077-86-2"}
{"Compound":"Octyl barbituric acid","CAS":"14077-85-1","CAS.Checksum":true,"DTXSID":"DTXSID30293827","Formula":"C12H20N2O3","All.Compound.Names":"Octyl barbituric acid|Dtxsid30293827|14077-85-1","logHenry":-8.45,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.448,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.825,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.745,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.5,"MP.Reference":"EPA-CCD-OPERA","MW":240.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.026","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"14077-85-1"}
{"Compound":"Pentyl barbituric acid","CAS":"14077-80-6","CAS.Checksum":true,"DTXSID":"DTXSID10293820","Formula":"C9H14N2O3","All.Compound.Names":"Pentyl barbituric acid|5-pentylpyrimidine-2,4,6(1h,3h,5h)-trione|Dtxsid10293820|14077-80-6","logHenry":-8.449,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8248,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.237,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.905,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.7,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.5","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"14077-80-6"}
{"Compound":"Prazepam","CAS":"2955-38-6","CAS.Checksum":true,"DTXSID":"DTXSID4021181","Formula":"C19H17ClN2O","All.Compound.Names":"Prazepam|Dtxsid4021181|2955-38-6","logHenry":-7.61,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.729,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.852,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.61,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.4,"MP.Reference":"EPA-CCD-OPERA","MW":324.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2955-38-6"}
{"Compound":"Procaine","CAS":"59-46-1","CAS.Checksum":true,"DTXSID":"DTXSID7045021","Formula":"C13H20N2O2","All.Compound.Names":"Procaine|59-46-1|Dtxsid7045021","logHenry":-8.788,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.139,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.354,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.525,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.09,"MP.Reference":"EPA-CCD-OPERA","MW":236.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Rat.Funbound.plasma":"1","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"59-46-1"}
{"Compound":"(r)-propyl barbituric acid","CAS":"37120-83-5","CAS.Checksum":true,"DTXSID":"DTXSID80190615","Formula":"C14H16N2O3","All.Compound.Names":"(r)-propyl barbituric acid|Dtxsid80190615|37120-83-5","logHenry":-7.893,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.023,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.594,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.633,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.1,"MP.Reference":"EPA-CCD-OPERA","MW":260.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Funbound.plasma":"0.87","Rat.Funbound.plasma.Reference":"Pearce 2017","Chemical.Class":"","_row":"37120-83-5"}
{"Compound":"Tetrachlorodibenzo-p-dioxin","CAS":"41903-57-5","CAS.Checksum":true,"DTXSID":"DTXSID4051378","Formula":"C12H4Cl4O2","All.Compound.Names":"Tetrachlorodibenzo-p-dioxin|Tetrachlorodibenzodioxin","logHenry":-4.8,"logHenry.Reference":"OPERA29","logP":4.34,"logP.Reference":"OPERA29","logWSol":-5.31,"logWSol.Reference":"OPERA29","MP":122,"MP.Reference":"OPERA29","MW":322,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41903-57-5"}
{"Compound":"Thiobarbital","CAS":"77-32-7","CAS.Checksum":true,"DTXSID":"DTXSID40227810","Formula":"C8H12N2O2S","All.Compound.Names":"Thiobarbital|Dtxsid40227810|77-32-7","logHenry":-8.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.5,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.685,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.17,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.9,"MP.Reference":"EPA-CCD-OPERA","MW":200.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-32-7"}
{"Compound":"Estriol","CAS":"50-27-1","CAS.Checksum":true,"DTXSID":"DTXSID9022366","Formula":"C18H24O3","All.Compound.Names":"Estriol|Dtxsid9022366|50-27-1","logHenry":-8.287,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.452,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.796,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.89,"logWSol.Reference":"EPA-CCD-OPERA","MP":281.9,"MP.Reference":"EPA-CCD-OPERA","MW":288.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Clint":"8.3","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.106","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"50-27-1"}
{"Compound":"Cresol","CAS":"1319-77-3","CAS.Checksum":true,"DTXSID":"DTXSID3024364","All.Compound.Names":"Cresol","logP":1.943,"logP.Reference":"Honda 2019","MW":108.1,"MW.Reference":"Honda 2019","pKa_Donor":"10.2","pKa_Donor.Reference":"Honda 2019","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Rat.Clint":"0","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.026","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"1319-77-3"}
{"Compound":"1,2,3,4,5,6-hexachlorocyclohexane","CAS":"608-73-1","CAS.Checksum":true,"DTXSID":"DTXSID7020687","Formula":"C6H6Cl6","All.Compound.Names":"1,2,3,4,5,6-hexachlorocyclohexane|1,2,3,4,5,6-hexachlorocyclohexane (mixed isomers)|Dtxsid7020687","logHenry":-5.493,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.719,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.373,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.815,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.73,"MP.Reference":"EPA-CCD-OPERA","MW":290.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,11.3,0.811","Human.Clint.pValue":0.8111,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0174,0.0106,0.035","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"73.4","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.009","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"608-73-1"}
{"Compound":"Pentachlorobenzene","CAS":"608-93-5","CAS.Checksum":true,"DTXSID":"DTXSID7024247","Formula":"C6HCl5","All.Compound.Names":"Pentachlorobenzene|Dtxsid7024247","logHenry":-3.153,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.174,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.314,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.523,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.09,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"16.4,8.43,38.5,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"608-93-5"}
{"Compound":"2,4-dimethylphenol","CAS":"105-67-9","CAS.Checksum":true,"DTXSID":"DTXSID2021864","Formula":"C8H10O","All.Compound.Names":"2,4-dimethylphenol|Dtxsid2021864|105-67-9","logHenry":-6.016,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.302,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.765,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.465,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.6,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Clint":"38","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.228","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"105-67-9"}
{"Compound":"Cypermethrin","CAS":"52315-07-8","CAS.Checksum":true,"DTXSID":"DTXSID1023998","Formula":"C22H19Cl2NO3","All.Compound.Names":"Cypermethrin|Dtxsid1023998","logHenry":-8.683,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.598,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.105,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.447,"logWSol.Reference":"EPA-CCD-OPERA","MP":81.39,"MP.Reference":"EPA-CCD-OPERA","MW":416.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Clint":"4.5","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"52315-07-8"}
{"Compound":"1-chloro-4-nitrobenzene","CAS":"100-00-5","CAS.Checksum":true,"DTXSID":"DTXSID5020281","Formula":"C6H4ClNO2","All.Compound.Names":"1-chloro-4-nitrobenzene|Dtxsid5020281","logHenry":-5.306,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.392,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.936,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.88,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.99,"MP.Reference":"EPA-CCD-OPERA","MW":157.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.69,2.05,6.64","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"400,17.9,1260,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Rat.Funbound.plasma":"0.127","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"100-00-5"}
{"Compound":"1,3-dinitrobenzene","CAS":"99-65-0","CAS.Checksum":true,"DTXSID":"DTXSID9024065","Formula":"C6H4N2O4","All.Compound.Names":"1,3-dinitrobenzene|Dtxsid9024065","logHenry":-7.307,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.492,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.106,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.505,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.9,"MP.Reference":"EPA-CCD-OPERA","MW":168.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.9989,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.391,0.176,0.972","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"5.8","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.35","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"99-65-0"}
{"Compound":"4,4'-dichlorodiphenyl sulfone","CAS":"80-07-9","CAS.Checksum":true,"DTXSID":"DTXSID9024986","Formula":"C12H8Cl2O2S","All.Compound.Names":"4,4'-dichlorodiphenyl sulfone|Dtxsid9024986","logHenry":-5.209,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.314,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.636,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.881,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.7,"MP.Reference":"EPA-CCD-OPERA","MW":287.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Clint":"49.4","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"80-07-9"}
{"Compound":"Spirodiclofen","CAS":"148477-71-8","CAS.Checksum":true,"DTXSID":"DTXSID6034928","Formula":"C21H24Cl2O4","All.Compound.Names":"Spirodiclofen|Dtxsid6034928","logHenry":-7.896,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.652,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.046,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.915,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.6,"MP.Reference":"EPA-CCD-OPERA","MW":411.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"44.6,33.3,50.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Rat.Clint":"109","Rat.Clint.Reference":"Honda 2019","Chemical.Class":"","_row":"148477-71-8"}
{"Compound":"4-chloro-3-methylphenol","CAS":"59-50-7","CAS.Checksum":true,"DTXSID":"DTXSID4021717","Formula":"C7H7ClO","All.Compound.Names":"4-chloro-3-methylphenol|Dtxsid4021717|59-50-7","logHenry":-5.947,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.091,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.542,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.57,"logWSol.Reference":"EPA-CCD-OPERA","MP":66.78,"MP.Reference":"EPA-CCD-OPERA","MW":142.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.996","Human.Clint.pValue":0.9963,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0723,0.0607,0.089","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"200.8","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.151","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"59-50-7"}
{"Compound":"Kaempferol","CAS":"520-18-3","CAS.Checksum":true,"DTXSID":"DTXSID7020768","Formula":"C15H10O6","All.Compound.Names":"Kaempferol|Dtxsid7020768|520-18-3","logHenry":-10.05,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.158,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.103,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.15,"logWSol.Reference":"EPA-CCD-OPERA","MP":277,"MP.Reference":"EPA-CCD-OPERA","MW":286.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"14.4,8.01,25.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"95.7","Human.Clint.Reference":"Black 2021","Rat.Clint":"71","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0144","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"520-18-3"}
{"Compound":"Zearalenone","CAS":"17924-92-4","CAS.Checksum":true,"DTXSID":"DTXSID0021460","Formula":"C18H22O5","All.Compound.Names":"Zearalenone|Dtxsid0021460|17924-92-4","logHenry":-10.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.745,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.642,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.66,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.5,"MP.Reference":"EPA-CCD-OPERA","MW":318.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"209,159,243,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Rat.Clint":"59.5","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"17924-92-4"}
{"Compound":"5alpha-dihydrotestosterone","CAS":"521-18-6","CAS.Checksum":true,"DTXSID":"DTXSID9022364","Formula":"C19H30O2","All.Compound.Names":"5alpha-dihydrotestosterone|Dtxsid9022364|521-18-6","logHenry":-9.039,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.551,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.271,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.421,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.8,"MP.Reference":"EPA-CCD-OPERA","MW":290.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"70.7,51.7,83.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0313,0.0253,0.0408","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"104","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0265","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"521-18-6"}
{"Compound":"Tris(2-ethylhexyl) phosphate","CAS":"78-42-2","CAS.Checksum":true,"DTXSID":"DTXSID0021414","Formula":"C24H51O4P","All.Compound.Names":"Tris(2-ethylhexyl) phosphate|Dtxsid0021414","logHenry":-5.615,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.203,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.49,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.618,"logWSol.Reference":"EPA-CCD-OPERA","MP":-73.97,"MP.Reference":"EPA-CCD-OPERA","MW":434.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Clint":"11.1","Rat.Clint.Reference":"Honda 2019","Chemical.Class":"","_row":"78-42-2"}
{"Compound":"Apigenin","CAS":"520-36-5","CAS.Checksum":true,"DTXSID":"DTXSID6022391","Formula":"C15H10O5","All.Compound.Names":"Apigenin|Dtxsid6022391|520-36-5","logHenry":-9.981,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.02,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.226,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.765,"logWSol.Reference":"EPA-CCD-OPERA","MP":347,"MP.Reference":"EPA-CCD-OPERA","MW":270.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"11.4,6.35,20.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"138,108,159,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"9.57e-05,2.63e-13,0.014","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"85.7","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"520-36-5"}
{"Compound":"Trimethyl phosphate","CAS":"512-56-1","CAS.Checksum":true,"DTXSID":"DTXSID1021403","Formula":"C3H9O4P","All.Compound.Names":"Trimethyl phosphate|Trimethyl orthophosphate|Dtxsid1021403","logHenry":-8.139,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6486,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.786,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5527,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.04,"MP.Reference":"EPA-CCD-OPERA","MW":140.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.43","Human.Clint.Reference":"Black 2021","Rat.Clint":"0","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.8835","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"512-56-1"}
{"Compound":"Isophorone","CAS":"78-59-1","CAS.Checksum":true,"DTXSID":"DTXSID8020759","Formula":"C9H14O","All.Compound.Names":"Isophorone|Dtxsid8020759","logHenry":-4.432,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.706,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.617,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.052,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.788,"MP.Reference":"EPA-CCD-OPERA","MW":138.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"18.7,5.89,65.4,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Rat.Clint":"19.3","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.561","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"78-59-1"}
{"Compound":"Nordihydroguaiaretic acid","CAS":"500-38-9","CAS.Checksum":true,"DTXSID":"DTXSID5022437","Formula":"C18H22O4","All.Compound.Names":"Nordihydroguaiaretic acid|Dtxsid5022437|500-38-9","logHenry":-8.904,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.091,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.312,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.665,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.6,"MP.Reference":"EPA-CCD-OPERA","MW":302.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"270,74.5,472,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"7.14e-08,1.96e-13,0.0186","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"93.1","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.1285","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"500-38-9"}
{"Compound":"2,2'-bisphenol f","CAS":"2467-02-9","CAS.Checksum":true,"DTXSID":"DTXSID4022446","Formula":"C13H12O2","All.Compound.Names":"2,2'-bisphenol f|Bisphenol f|Dtxsid4022446|2,2'-methylenebis[phenol]|2467-02-9","logHenry":-8.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.4,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.776,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.581,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.5,"MP.Reference":"EPA-CCD-OPERA","MW":200.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"45.4,25.3,81.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"83.5,40.8,122,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.041,0.0298,0.0588","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"89.7","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0378","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"2467-02-9"}
{"Compound":"Nicosulfuron","CAS":"111991-09-4","CAS.Checksum":true,"DTXSID":"DTXSID6034764","Formula":"C15H18N6O6S","All.Compound.Names":"Nicosulfuron|Dtxsid6034764|111991-09-4","logHenry":-10.27,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.01221,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.611,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.641,"logWSol.Reference":"EPA-CCD-OPERA","MP":142,"MP.Reference":"EPA-CCD-OPERA","MW":410.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Clint":"0","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0947","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"111991-09-4"}
{"Compound":"2-ethylhexylparaben","CAS":"5153-25-3","CAS.Checksum":true,"DTXSID":"DTXSID4022525","Formula":"C15H22O3","All.Compound.Names":"2-ethylhexylparaben|2-ethylhexyl paraben|2-ethylhexyl p-hydroxybenzoate|Dtxsid4022525|5153-25-3","logHenry":-9.288,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.101,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.693,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.112,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.84,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"128","Human.Clint.Reference":"Black 2021","Rat.Clint":"301","Rat.Clint.Reference":"Honda 2019","Chemical.Class":"","_row":"5153-25-3"}
{"Compound":"Caprolactam","CAS":"105-60-2","CAS.Checksum":true,"DTXSID":"DTXSID4020240","Formula":"C6H11NO","All.Compound.Names":"Caprolactam|Dtxsid4020240|105-60-2","logHenry":-6.095,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.193,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.478,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.02609,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.16,"MP.Reference":"EPA-CCD-OPERA","MW":113.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"35.2,19.6,63.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9996,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.761,0.435,0.987","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"0","Rat.Clint.Reference":"Honda 2019","Chemical.Class":"","_row":"105-60-2"}
{"Compound":"2,3,4,6-tetrachlorophenol","CAS":"58-90-2","CAS.Checksum":true,"DTXSID":"DTXSID9021716","Formula":"C6H2Cl4O","All.Compound.Names":"2,3,4,6-tetrachlorophenol|Dtxsid9021716|58-90-2","logHenry":-6.254,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.441,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.272,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.998,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.39,"MP.Reference":"EPA-CCD-OPERA","MW":231.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.999,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Rat.Clint":"8.3","Rat.Clint.Reference":"Honda 2019","Chemical.Class":"","_row":"58-90-2"}
{"Compound":"Dimethyl methylphosphonate","CAS":"756-79-6","CAS.Checksum":true,"DTXSID":"DTXSID0020494","Formula":"C3H9O3P","All.Compound.Names":"Dimethyl methylphosphonate|Dtxsid0020494","logHenry":-6.967,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6087,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.138,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9057,"logWSol.Reference":"EPA-CCD-OPERA","MP":-65.66,"MP.Reference":"EPA-CCD-OPERA","MW":124.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"38.1,21.2,68.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Rat.Clint":"0","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.9125","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"756-79-6"}
{"Compound":"4-chloro-2-methylaniline","CAS":"95-69-2","CAS.Checksum":true,"DTXSID":"DTXSID1041508","Formula":"C7H8ClN","All.Compound.Names":"4-chloro-2-methylaniline|Dtxsid1041508|95-69-2","logHenry":-6.649,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.135,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.344,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.471,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.47,"MP.Reference":"EPA-CCD-OPERA","MW":141.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"45.4,25.2,81.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"8.06,4.8,11.2,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"8.75e-07,2.13e-13,0.952","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"19.5","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.1565","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"95-69-2"}
{"Compound":"Hexamethylphosphoramide","CAS":"680-31-9","CAS.Checksum":true,"DTXSID":"DTXSID6020694","Formula":"C6H18N3OP","All.Compound.Names":"Hexamethylphosphoramide|Dtxsid6020694|680-31-9","logHenry":-3.056,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2808,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7451,"logWSol.Reference":"EPA-CCD-OPERA","MP":7.21,"MP.Reference":"EPA-CCD-OPERA","MW":179.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"14.4,7.99,25.8","Human.Caco2.Pab.Reference":"HondaUnpublished","Rat.Clint":"0","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.6935","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"680-31-9"}
{"Compound":"2,4,5-trichlorophenoxyacetic acid","CAS":"93-76-5","CAS.Checksum":true,"DTXSID":"DTXSID5021388","Formula":"C8H5Cl3O3","All.Compound.Names":"2,4,5-trichlorophenoxyacetic acid|Dtxsid5021388|93-76-5","logHenry":-8.524,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.31,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.75,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.676,"logWSol.Reference":"EPA-CCD-OPERA","MP":153,"MP.Reference":"EPA-CCD-OPERA","MW":255.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"8.49,4.72,15.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.998","Human.Clint.pValue":0.9983,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0127,0.00782,0.0264","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"0","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0137","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"93-76-5"}
{"Compound":"Fluopicolide","CAS":"239110-15-7","CAS.Checksum":true,"DTXSID":"DTXSID7034624","Formula":"C14H8Cl3F3N2O","All.Compound.Names":"Fluopicolide|Dtxsid7034624|239110-15-7","logHenry":-9.54,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.411,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.428,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.142,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.6,"MP.Reference":"EPA-CCD-OPERA","MW":383.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.33","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.75","pKa_Donor.Reference":"Honda 2019","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"38,21.1,68.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Rat.Clint":"23.7","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0248","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"239110-15-7"}
{"Compound":"Clodinafop-propargyl","CAS":"105512-06-9","CAS.Checksum":true,"DTXSID":"DTXSID6032354","Formula":"C17H13ClFNO4","All.Compound.Names":"Clodinafop-propargyl|Clodinafop-propargyl mixt.|Dtxsid6032354|105512-06-9","logHenry":-9.114,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.899,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.719,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.942,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.6,"MP.Reference":"EPA-CCD-OPERA","MW":349.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-1.194","pKa_Accept.Reference":"Honda 2019","pKa_Donor":"3.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1010,545,1320,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0148,0.0102,0.0236","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"699","Rat.Clint.Reference":"Honda 2019","Chemical.Class":"","_row":"105512-06-9"}
{"Compound":"Benzoic acid","CAS":"65-85-0","CAS.Checksum":true,"DTXSID":"DTXSID6020143","Formula":"C7H6O2","All.Compound.Names":"Benzoic acid|Dtxsid6020143|65-85-0","logHenry":-6.574,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.871,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.037,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4792,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.3,"MP.Reference":"EPA-CCD-OPERA","MW":122.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Clint":"0.78","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.422","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"65-85-0"}
{"Compound":"Norethindrone","CAS":"68-22-4","CAS.Checksum":true,"DTXSID":"DTXSID9023380","Formula":"C20H26O2","All.Compound.Names":"Norethindrone|68-22-4|Dtxsid9023380","logHenry":-8.381,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.97,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.039,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.594,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.3,"MP.Reference":"EPA-CCD-OPERA","MW":298.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"49.6,27.6,89.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,9.86,0.515","Human.Clint.pValue":0.5147,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.64,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.0516,0.043,0.0647","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"53.8","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.029","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"68-22-4"}
{"Compound":"2,4,6-tribromophenol","CAS":"118-79-6","CAS.Checksum":true,"DTXSID":"DTXSID6021959","Formula":"C6H3Br3O","All.Compound.Names":"2,4,6-tribromophenol|Dtxsid6021959|118-79-6","logHenry":-6.979,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.131,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.346,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.249,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.44,"MP.Reference":"EPA-CCD-OPERA","MW":330.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"49.9,27.7,89.7","Human.Caco2.Pab.Reference":"HondaUnpublished","Rat.Clint":"21.5","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"118-79-6"}
{"Compound":"Diphenylsulfone","CAS":"127-63-9","CAS.Checksum":true,"DTXSID":"DTXSID6041892","Formula":"C12H10O2S","All.Compound.Names":"Diphenylsulfone|Dtxsid6041892","logHenry":-4.849,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.399,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.038,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.88,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.6,"MP.Reference":"EPA-CCD-OPERA","MW":218.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Clint":"6.1","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0758","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"127-63-9"}
{"Compound":"17-methyltestosterone","CAS":"58-18-4","CAS.Checksum":true,"DTXSID":"DTXSID1033664","Formula":"C20H30O2","All.Compound.Names":"17-methyltestosterone|58-18-4|Dtxsid1033664","logHenry":-8.345,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.361,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.068,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.972,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.9,"MP.Reference":"EPA-CCD-OPERA","MW":302.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"35.8,19.9,64.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"12.7,4.47,18.6,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.0329,0.0277,0.0416","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"77.5","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0191","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"58-18-4"}
{"Compound":"Benzyl butyl phthalate","CAS":"85-68-7","CAS.Checksum":true,"DTXSID":"DTXSID3020205","Formula":"C19H20O4","All.Compound.Names":"Benzyl butyl phthalate|Butyl benzyl phthalate|Dtxsid3020205","logHenry":-7.537,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.816,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.01,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.255,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.39,"MP.Reference":"EPA-CCD-OPERA","MW":312.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"427,172,888,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"3.22e-06,2.26e-13,0.948","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"359","Rat.Clint.Reference":"Honda 2019","Chemical.Class":"","_row":"85-68-7"}
{"Compound":"4,4'-sulfonyldiphenol","CAS":"80-09-1","CAS.Checksum":true,"DTXSID":"DTXSID3022409","Formula":"C12H10O4S","All.Compound.Names":"4,4'-sulfonyldiphenol|Dtxsid3022409|80-09-1","logHenry":-10.45,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1034,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.087,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.559,"logWSol.Reference":"EPA-CCD-OPERA","MP":240.5,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"36.1,20.1,64.8","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.992","Human.Clint.pValue":0.9922,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0576,0.0505,0.0701","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"33.1","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0711","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"80-09-1"}
{"Compound":"Tris(2-chloroethyl) phosphate","CAS":"115-96-8","CAS.Checksum":true,"DTXSID":"DTXSID5021411","Formula":"C6H12Cl3O4P","All.Compound.Names":"Tris(2-chloroethyl) phosphate|Dtxsid5021411","logHenry":-6.899,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.441,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.973,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.609,"logWSol.Reference":"EPA-CCD-OPERA","MP":-34.97,"MP.Reference":"EPA-CCD-OPERA","MW":285.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"48.8,27.1,87.7","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"2.04,0,4.06,0.175","Human.Clint.pValue":0.1746,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.44,0.413,0.472","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"6.8","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.397","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"115-96-8"}
{"Compound":"Kepone","CAS":"143-50-0","CAS.Checksum":true,"DTXSID":"DTXSID1020770","Formula":"C10Cl10O","All.Compound.Names":"Kepone|Dtxsid1020770","logHenry":-3.382,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.411,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.271,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.247,"logWSol.Reference":"EPA-CCD-OPERA","MP":252.8,"MP.Reference":"EPA-CCD-OPERA","MW":490.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Clint":"0","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.029","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"143-50-0"}
{"Compound":"Heptylparaben","CAS":"1085-12-7","CAS.Checksum":true,"DTXSID":"DTXSID4022523","Formula":"C14H20O3","All.Compound.Names":"Heptylparaben|Heptyl p-hydroxybenzoate|Dtxsid4022523|1085-12-7","logHenry":-9.288,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.825,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.668,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.072,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.86,"MP.Reference":"EPA-CCD-OPERA","MW":236.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Clint":"311.2","Rat.Clint.Reference":"Honda 2019","Chemical.Class":"","_row":"1085-12-7"}
{"Compound":"Dalapon","CAS":"75-99-0","CAS.Checksum":true,"DTXSID":"DTXSID2021575","Formula":"C3H4Cl2O2","All.Compound.Names":"Dalapon|Dtxsid2021575|75-99-0","logHenry":-7.172,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7799,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.843,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5598,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.678,"MP.Reference":"EPA-CCD-OPERA","MW":143,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Clint":"0","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.864","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"75-99-0"}
{"Compound":"Benzylparaben","CAS":"94-18-8","CAS.Checksum":true,"DTXSID":"DTXSID9022526","Formula":"C14H12O3","All.Compound.Names":"Benzylparaben|Benzyl 4-hydroxybenzoate|Dtxsid9022526|94-18-8","logHenry":-9.564,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.556,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.124,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.004,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.7,"MP.Reference":"EPA-CCD-OPERA","MW":228.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"633,234,1290,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00674,3.52e-11,0.0192","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"639.1","Rat.Clint.Reference":"Honda 2019","Chemical.Class":"","_row":"94-18-8"}
{"Compound":"2-naphthalenol","CAS":"135-19-3","CAS.Checksum":true,"DTXSID":"DTXSID5027061","Formula":"C10H8O","All.Compound.Names":"2-naphthalenol|Dtxsid5027061|135-19-3","logHenry":-7.555,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.702,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.654,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.249,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.8,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"6.98e-07,2.12e-13,0.962","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"119","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.0513","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"135-19-3"}
{"Compound":"2-methyl-5-nitroaniline","CAS":"99-55-8","CAS.Checksum":true,"DTXSID":"DTXSID4020959","Formula":"C7H8N2O2","All.Compound.Names":"2-methyl-5-nitroaniline|C.i. azoic diazo component 12|Dtxsid4020959|99-55-8","logHenry":-7.282,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.87,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.721,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.245,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.3,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"59.3,33,107","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"22.4,10.6,31.7,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Rat.Clint":"14.8","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.182","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"99-55-8"}
{"Compound":"Triphenylphosphine oxide","CAS":"791-28-6","CAS.Checksum":true,"DTXSID":"DTXSID2022121","Formula":"C18H15OP","All.Compound.Names":"Triphenylphosphine oxide|Dtxsid2022121","logHenry":-5.693,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.835,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.612,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.596,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.4,"MP.Reference":"EPA-CCD-OPERA","MW":278.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Rat|Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"51,28.4,91.8","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9996,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.101,0.0945,0.112","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"0","Rat.Clint.Reference":"Honda 2019","Rat.Funbound.plasma":"0.1325","Rat.Funbound.plasma.Reference":"Honda 2019","Chemical.Class":"","_row":"791-28-6"}
{"Compound":"(-)-epigallocatechin gallate","CAS":"989-51-5","CAS.Checksum":true,"DTXSID":"DTXSID1029889","Formula":"C22H18O11","All.Compound.Names":"(-)-epigallocatechin gallate|Dtxsid1029889|989-51-5","logHenry":-10.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.254,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.321,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.446,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.6,"MP.Reference":"EPA-CCD-OPERA","MW":458.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"135,10.8,1240,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"989-51-5"}
{"Compound":"(6)-gingerol","CAS":"23513-14-6","CAS.Checksum":true,"DTXSID":"DTXSID3041035","Formula":"C17H26O4","All.Compound.Names":"(6)-gingerol|Dtxsid3041035|23513-14-6","logHenry":-9.667,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.431,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.782,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.122,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.4,"MP.Reference":"EPA-CCD-OPERA","MW":294.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"146,41.9,236,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.141,0.084,0.251","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"23513-14-6"}
{"Compound":"1-(hydroxymethyl)-5,5-dimethylhydantoin","CAS":"116-25-6","CAS.Checksum":true,"DTXSID":"DTXSID6035152","Formula":"C6H10N2O3","All.Compound.Names":"1-(hydroxymethyl)-5,5-dimethylhydantoin|Dtxsid6035152|116-25-6","logHenry":-8.62,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.01811,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.121,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7985,"logWSol.Reference":"EPA-CCD-OPERA","MP":100,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"13.1,5.56,20.9,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.921,0.00163,0.988","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"116-25-6"}
{"Compound":"1-benzylquinolinium chloride","CAS":"15619-48-4","CAS.Checksum":true,"DTXSID":"DTXSID8044593","Formula":"C16H14ClN","All.Compound.Names":"1-benzylquinolinium chloride|Dtxsid8044593|15619-48-4","logHenry":-5.342,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4384,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.532,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.141,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.1,"MP.Reference":"EPA-CCD-OPERA","MW":255.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.395,0.0976,1.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"7.31,2.52,12,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.599,0.505,0.739","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"15619-48-4"}
{"Compound":"1-dodecyl-2-pyrrolidinone","CAS":"2687-96-9","CAS.Checksum":true,"DTXSID":"DTXSID4042206","Formula":"C16H31NO","All.Compound.Names":"1-dodecyl-2-pyrrolidinone|Dtxsid4042206|2687-96-9","logHenry":-6.905,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.203,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.318,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.066,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.113,"MP.Reference":"EPA-CCD-OPERA","MW":253.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"19.1,11.3,25.2,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0125,0.00494,0.0157","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2687-96-9"}
{"Compound":"1-hydroxypyrene","CAS":"5315-79-7","CAS.Checksum":true,"DTXSID":"DTXSID1038298","Formula":"C16H10O","All.Compound.Names":"1-hydroxypyrene|Dtxsid1038298|5315-79-7","logHenry":-7.253,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.036,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.719,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.093,"logWSol.Reference":"EPA-CCD-OPERA","MP":180,"MP.Reference":"EPA-CCD-OPERA","MW":218.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"8.43e-06,2.34e-13,0.98","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"5315-79-7"}
{"Compound":"1-methylnaphthalene","CAS":"90-12-0","CAS.Checksum":true,"DTXSID":"DTXSID9020877","Formula":"C11H10","All.Compound.Names":"1-methylnaphthalene|Dtxsid9020877","logHenry":-3.288,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.868,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.139,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.713,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.96,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"443,168,1260,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"90-12-0"}
{"Compound":"1-naphthol","CAS":"90-15-3","CAS.Checksum":true,"DTXSID":"DTXSID6021793","Formula":"C10H8O","All.Compound.Names":"1-naphthol|Dtxsid6021793|90-15-3","logHenry":-7.224,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.85,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.505,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.172,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.93,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"48.2,26.8,86.7","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,3.14,0.924","Human.Clint.pValue":0.9244,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0682,0.0508,0.0912","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"90-15-3"}
{"Compound":"1-octanol","CAS":"111-87-5","CAS.Checksum":true,"DTXSID":"DTXSID7021940","Formula":"C8H18O","All.Compound.Names":"1-octanol|Dtxsid7021940|111-87-5","logHenry":-4.608,"logHenry.Reference":"EPA-CCD-OPERA","logP":3,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.384,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.89,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.647,0.303,0.986","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"111-87-5"}
{"Compound":"1,2-dimethyl-3-nitrobenzene","CAS":"83-41-0","CAS.Checksum":true,"DTXSID":"DTXSID7025132","Formula":"C8H9NO2","All.Compound.Names":"1,2-dimethyl-3-nitrobenzene|Dtxsid7025132","logHenry":-4.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.83,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.755,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.323,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.25,"MP.Reference":"EPA-CCD-OPERA","MW":151.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"523,104,1270,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"3.21e-08,1.67e-13,0.00641","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"83-41-0"}
{"Compound":"1,2-dimethyl-4-nitrobenzene","CAS":"99-51-4","CAS.Checksum":true,"DTXSID":"DTXSID2025133","Formula":"C8H9NO2","All.Compound.Names":"1,2-dimethyl-4-nitrobenzene|Dtxsid2025133","logHenry":-4.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.909,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.676,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.327,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.32,"MP.Reference":"EPA-CCD-OPERA","MW":151.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"454,54.5,1260,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"99-51-4"}
{"Compound":"1,2-diphenylhydrazine","CAS":"122-66-7","CAS.Checksum":true,"DTXSID":"DTXSID7020710","Formula":"C12H12N2","All.Compound.Names":"1,2-diphenylhydrazine|Dtxsid7020710|122-66-7","logHenry":-7.176,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.941,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.207,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.922,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.9,"MP.Reference":"EPA-CCD-OPERA","MW":184.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.76","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"19,10.2,24.1,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"1.97e-06,2.07e-13,0.967","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"122-66-7"}
{"Compound":"1,2,3-benzotriazole","CAS":"95-14-7","CAS.Checksum":true,"DTXSID":"DTXSID6020147","Formula":"C6H5N3","All.Compound.Names":"1,2,3-benzotriazole|Dtxsid6020147|95-14-7","logHenry":-7.608,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.439,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.594,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7831,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.1,"MP.Reference":"EPA-CCD-OPERA","MW":119.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.56","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"8.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"35.8,19.9,64.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9999,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.287,0.187,0.427","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"95-14-7"}
{"Compound":"1,2,3,4-tetrachlorobenzene","CAS":"634-66-2","CAS.Checksum":true,"DTXSID":"DTXSID6026088","Formula":"C6H2Cl4","All.Compound.Names":"1,2,3,4-tetrachlorobenzene|Dtxsid6026088","logHenry":-3.118,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.576,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.006,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.95,"MP.Reference":"EPA-CCD-OPERA","MW":215.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"32.4,22.2,72,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"634-66-2"}
{"Compound":"1,2,4-trichlorobenzene","CAS":"120-82-1","CAS.Checksum":true,"DTXSID":"DTXSID0021965","Formula":"C6H3Cl3","All.Compound.Names":"1,2,4-trichlorobenzene|Dtxsid0021965","logHenry":-2.847,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.994,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9638,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.67,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.7,"MP.Reference":"EPA-CCD-OPERA","MW":181.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"5.27e-07,1.96e-13,0.957","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"120-82-1"}
{"Compound":"1,3-benzenediamine","CAS":"108-45-2","CAS.Checksum":true,"DTXSID":"DTXSID4021137","Formula":"C6H8N2","All.Compound.Names":"1,3-benzenediamine|Dtxsid4021137|108-45-2","logHenry":-7.256,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3279,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.972,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3171,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.74,"MP.Reference":"EPA-CCD-OPERA","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,3.11,0.973","Human.Clint.pValue":0.9731,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"108-45-2"}
{"Compound":"1,3-dichlorobenzene","CAS":"541-73-1","CAS.Checksum":true,"DTXSID":"DTXSID6022056","Formula":"C6H4Cl2","All.Compound.Names":"1,3-dichlorobenzene|Dtxsid6022056","logHenry":-2.581,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.529,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6282,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.07,"logWSol.Reference":"EPA-CCD-OPERA","MP":-23.64,"MP.Reference":"EPA-CCD-OPERA","MW":147,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"200,55.6,1210,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"541-73-1"}
{"Compound":"1,3,5-tribromobenzene","CAS":"626-39-1","CAS.Checksum":true,"DTXSID":"DTXSID3052307","Formula":"C6H3Br3","All.Compound.Names":"1,3,5-tribromobenzene|Dtxsid3052307","logHenry":-2.931,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.509,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.052,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.499,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.1,"MP.Reference":"EPA-CCD-OPERA","MW":314.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.997","Human.Clint.pValue":0.997,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"626-39-1"}
{"Compound":"1,4-bis(n-isopropylamino)anthraquinone","CAS":"14233-37-5","CAS.Checksum":true,"DTXSID":"DTXSID2041250","Formula":"C20H22N2O2","All.Compound.Names":"1,4-bis(n-isopropylamino)anthraquinone|Dtxsid2041250|14233-37-5","logHenry":-9.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.459,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.011,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.802,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.3,"MP.Reference":"EPA-CCD-OPERA","MW":322.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.9994,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00728,0.00493,0.0116","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"14233-37-5"}
{"Compound":"17alpha-hydroxyprogesterone","CAS":"68-96-2","CAS.Checksum":true,"DTXSID":"DTXSID6040747","Formula":"C21H30O3","All.Compound.Names":"17alpha-hydroxyprogesterone|Dtxsid6040747|68-96-2","logHenry":-8.086,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.169,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.583,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.704,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.1,"MP.Reference":"EPA-CCD-OPERA","MW":330.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.0828,0.0721,0.0999","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"68-96-2"}
{"Compound":"17beta-trenbolone","CAS":"10161-33-8","CAS.Checksum":true,"DTXSID":"DTXSID0034192","Formula":"C18H22O2","All.Compound.Names":"17beta-trenbolone|Dtxsid0034192|10161-33-8","logHenry":-7.151,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.948,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.707,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.66,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.8,"MP.Reference":"EPA-CCD-OPERA","MW":270.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"37.4,30.1,41.6,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0999,0.0855,0.12","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"10161-33-8"}
{"Compound":"2',4',5',7'-tetrabromofluorescein","CAS":"15086-94-9","CAS.Checksum":true,"DTXSID":"DTXSID3044590","Formula":"C20H8Br4O5","All.Compound.Names":"2',4',5',7'-tetrabromofluorescein","logHenry":-4.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.33,"logP.Reference":"OPERA29","logWSol":-4.28,"logWSol.Reference":"OPERA29","MP":295,"MP.Reference":"EPA-CCD-OPERA","MW":647.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.00,6.61","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.976","Human.Clint.pValue":0.9764,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.003,0.00108,0.0171","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"15086-94-9"}
{"Compound":"2-(2h-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol","CAS":"70321-86-7","CAS.Checksum":true,"DTXSID":"DTXSID2028985","Formula":"C30H29N3O","All.Compound.Names":"2-(2h-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol|Dtxsid2028985|70321-86-7","logHenry":-6.695,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.185,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.037,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.84,"logWSol.Reference":"EPA-CCD-OPERA","MP":178,"MP.Reference":"EPA-CCD-OPERA","MW":447.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"5.21e-06,2.32e-13,0.977","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"70321-86-7"}
{"Compound":"2-(4-hydroxybenzyl)phenol","CAS":"2467-03-0","CAS.Checksum":true,"DTXSID":"DTXSID2044890","Formula":"C13H12O2","All.Compound.Names":"2-(4-hydroxybenzyl)phenol|2-[(4-hydroxyphenyl)methyl]phenol|Dtxsid2044890|2467-03-0","logHenry":-6.905,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.15,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.026,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.582,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.7,"MP.Reference":"EPA-CCD-OPERA","MW":200.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"37.9,21.1,68.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"56.8,31.6,102,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0426,0.0276,0.0668","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2467-03-0"}
{"Compound":"2-(thiocyanomethylthio)benzothiazole","CAS":"21564-17-0","CAS.Checksum":true,"DTXSID":"DTXSID6032647","Formula":"C9H6N2S3","All.Compound.Names":"2-(thiocyanomethylthio)benzothiazole|Dtxsid6032647|21564-17-0","logHenry":-5.217,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.299,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.423,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.28,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.7,"MP.Reference":"EPA-CCD-OPERA","MW":238.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"29.6,0,1110,0.346","Human.Clint.pValue":0.346,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.331,0.184,0.44","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"21564-17-0"}
{"Compound":"2-[4-(diethylamino)-2-hydroxybenzoyl]benzoic acid","CAS":"5809-23-4","CAS.Checksum":true,"DTXSID":"DTXSID4027604","Formula":"C18H19NO4","All.Compound.Names":"2-[4-(diethylamino)-2-hydroxybenzoyl]benzoic acid|Dtxsid4027604|5809-23-4","logHenry":-9.596,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.279,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.073,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.679,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.6,"MP.Reference":"EPA-CCD-OPERA","MW":313.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.09","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"4.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"24.7,13.7,44.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"2,1.11,3.05,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00517,0.0034,0.0105","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"5809-23-4"}
{"Compound":"2-amino-5-azotoluene","CAS":"97-56-3","CAS.Checksum":true,"DTXSID":"DTXSID1020069","Formula":"C14H15N3","All.Compound.Names":"2-amino-5-azotoluene|O-aminoazotoluene|Dtxsid1020069|97-56-3","logHenry":-6.212,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.783,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.676,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.7,"MP.Reference":"EPA-CCD-OPERA","MW":225.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6.89,3.45,11.4,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00696,2.34e-09,0.0262","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"97-56-3"}
{"Compound":"2-aminoanthraquinone","CAS":"117-79-3","CAS.Checksum":true,"DTXSID":"DTXSID6020068","Formula":"C14H9NO2","All.Compound.Names":"2-aminoanthraquinone|Dtxsid6020068|117-79-3","logHenry":-9.005,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.307,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.309,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.138,"logWSol.Reference":"EPA-CCD-OPERA","MP":304.2,"MP.Reference":"EPA-CCD-OPERA","MW":223.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"19.9,11.1,35.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"30.8,21.9,35,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0305,0.0247,0.0425","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"117-79-3"}
{"Compound":"2-chloro-n-phenylacetamide","CAS":"587-65-5","CAS.Checksum":true,"DTXSID":"DTXSID3041409","Formula":"C8H8ClNO","All.Compound.Names":"2-chloro-n-phenylacetamide|Dtxsid3041409|587-65-5","logHenry":-8.795,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.63,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.047,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.829,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.4,"MP.Reference":"EPA-CCD-OPERA","MW":169.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"66.9,37.2,120","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"38.9,30.8,50.5,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.401,0.357,0.442","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"587-65-5"}
{"Compound":"2-ethyl-3-hydroxy-4h-pyran-4-one","CAS":"4940-11-8","CAS.Checksum":true,"DTXSID":"DTXSID5041516","Formula":"C7H8O3","All.Compound.Names":"2-ethyl-3-hydroxy-4h-pyran-4-one|2-ethyl-3-hydroxy-4-pyrone|Dtxsid5041516","logHenry":-6.403,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6281,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.984,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6066,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.6,"MP.Reference":"EPA-CCD-OPERA","MW":140.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.00","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"67.3,37.4,121","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"81,66.1,105,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.606,0.346,0.983","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"4940-11-8"}
{"Compound":"2-ethylhexyl 4-(dimethylamino)benzoate","CAS":"21245-02-3","CAS.Checksum":true,"DTXSID":"DTXSID7029320","Formula":"C17H27NO2","All.Compound.Names":"2-ethylhexyl 4-(dimethylamino)benzoate|Dtxsid7029320|4-(dimethylamino)benzoic acid 2-ethylhexyl ester|21245-02-3","logHenry":-7.405,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.863,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.052,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.433,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.76,"MP.Reference":"EPA-CCD-OPERA","MW":277.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"2.77e-08,1.68e-13,0.00286","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"21245-02-3"}
{"Compound":"2-hydroxy-4-methoxybenzophenone","CAS":"131-57-7","CAS.Checksum":true,"DTXSID":"DTXSID3022405","Formula":"C14H12O3","All.Compound.Names":"2-hydroxy-4-methoxybenzophenone|Dtxsid3022405|131-57-7","logHenry":-9.605,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.785,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.934,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.672,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.5,"MP.Reference":"EPA-CCD-OPERA","MW":228.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"15.7,9,22.1,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00952,0.00461,0.0293","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"131-57-7"}
{"Compound":"2-mercaptobenzimidazole","CAS":"583-39-1","CAS.Checksum":true,"DTXSID":"DTXSID9025536","Formula":"C7H6N2S","All.Compound.Names":"2-mercaptobenzimidazole|Dtxsid9025536|583-39-1","logHenry":-7.875,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.66,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.278,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.471,"logWSol.Reference":"EPA-CCD-OPERA","MP":297.6,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"43.2,24,77.7","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.995","Human.Clint.pValue":0.9947,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.4,0.31,0.512","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"583-39-1"}
{"Compound":"2-mercaptobenzothiazole","CAS":"149-30-4","CAS.Checksum":true,"DTXSID":"DTXSID1020807","Formula":"C7H5NS2","All.Compound.Names":"2-mercaptobenzothiazole|Dtxsid1020807|149-30-4","logHenry":-5.061,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.418,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.31,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.172,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.9,"MP.Reference":"EPA-CCD-OPERA","MW":167.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.74","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"37.3,14.1,60.1,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0215,0.0172,0.0292","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"149-30-4"}
{"Compound":"2-methoxy-4-propylphenol","CAS":"2785-87-7","CAS.Checksum":true,"DTXSID":"DTXSID2047199","Formula":"C10H14O2","All.Compound.Names":"2-methoxy-4-propylphenol|Dtxsid2047199|2785-87-7","logHenry":-6.666,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.648,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.084,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.263,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.88,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"24.6,6.79,79.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0707,0.0656,0.0791","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2785-87-7"}
{"Compound":"2-methoxyphenol","CAS":"90-05-1","CAS.Checksum":true,"DTXSID":"DTXSID0023113","Formula":"C7H8O2","All.Compound.Names":"2-methoxyphenol|Dtxsid0023113|90-05-1","logHenry":-5.928,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.32,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.592,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.155,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.85,"MP.Reference":"EPA-CCD-OPERA","MW":124.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"64.6,35.9,116","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"44.9,22.7,65.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.569,0.505,0.641","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"90-05-1"}
{"Compound":"2-methylaniline","CAS":"95-53-4","CAS.Checksum":true,"DTXSID":"DTXSID1026164","Formula":"C7H9N","All.Compound.Names":"2-methylaniline|Dtxsid1026164|95-53-4","logHenry":-5.704,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.322,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.589,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8268,"logWSol.Reference":"EPA-CCD-OPERA","MP":-16.21,"MP.Reference":"EPA-CCD-OPERA","MW":107.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.994","Human.Clint.pValue":0.994,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.713,0.341,0.986","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"95-53-4"}
{"Compound":"2-tert-butyl-4-ethylphenol","CAS":"96-70-8","CAS.Checksum":true,"DTXSID":"DTXSID4044581","Formula":"C12H18O","All.Compound.Names":"2-tert-butyl-4-ethylphenol|Dtxsid4044581|96-70-8","logHenry":-5.802,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.812,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.588,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.134,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.51,"MP.Reference":"EPA-CCD-OPERA","MW":178.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"102,42.7,186,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0454,0.0225,0.0844","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"96-70-8"}
{"Compound":"2-tert-butyl-4-methylphenol","CAS":"2409-55-4","CAS.Checksum":true,"DTXSID":"DTXSID2020212","Formula":"C11H16O","All.Compound.Names":"2-tert-butyl-4-methylphenol|4-methyl-2-tert-butylphenol|Dtxsid2020212|2409-55-4","logHenry":-6.183,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.433,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.28,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.321,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.43,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"49.9,27.7,89.7","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"20.9,12.7,37.9,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0272,0.0174,0.0444","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2409-55-4"}
{"Compound":"2-tert-butyl-5-methylphenol","CAS":"88-60-8","CAS.Checksum":true,"DTXSID":"DTXSID2026529","Formula":"C11H16O","All.Compound.Names":"2-tert-butyl-5-methylphenol|Dtxsid2026529|88-60-8","logHenry":-6.188,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.343,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.37,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.332,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.46,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"36,25,51.1,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0264,0.0133,0.0477","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"88-60-8"}
{"Compound":"2-tert-butylphenol","CAS":"88-18-6","CAS.Checksum":true,"DTXSID":"DTXSID2026525","Formula":"C10H14O","All.Compound.Names":"2-tert-butylphenol|Dtxsid2026525|88-18-6","logHenry":-6.142,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.31,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.192,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.329,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.726,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"59.7,42.5,97.8,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.000115,2.43e-13,0.0339","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"88-18-6"}
{"Compound":"2,2'-methylenebis(4-methyl-6-tert-butylphenol)","CAS":"119-47-1","CAS.Checksum":true,"DTXSID":"DTXSID4020870","Formula":"C23H32O2","All.Compound.Names":"2,2'-methylenebis(4-methyl-6-tert-butylphenol)|Dtxsid4020870|119-47-1","logHenry":-9.508,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.251,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.137,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.228,"logWSol.Reference":"EPA-CCD-OPERA","MP":123,"MP.Reference":"EPA-CCD-OPERA","MW":340.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"22.4,9.65,37.2,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"2.14e-08,1.66e-13,0.0019","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"119-47-1"}
{"Compound":"2,2'-methylenebis(ethyl-6-tert-butylphenol)","CAS":"88-24-4","CAS.Checksum":true,"DTXSID":"DTXSID7038864","Formula":"C25H36O2","All.Compound.Names":"2,2'-methylenebis(ethyl-6-tert-butylphenol)|Dtxsid7038864|88-24-4","logHenry":-9.526,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.47,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.002,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.317,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.5,"MP.Reference":"EPA-CCD-OPERA","MW":368.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.995","Human.Clint.pValue":0.9952,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00513,0.00189,0.0219","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"88-24-4"}
{"Compound":"2,2',6,6'-tetrachlorobisphenol a","CAS":"79-95-8","CAS.Checksum":true,"DTXSID":"DTXSID3021770","Formula":"C15H12Cl4O2","All.Compound.Names":"2,2',6,6'-tetrachlorobisphenol a|Dtxsid3021770|79-95-8","logHenry":-6.127,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.151,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.975,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.576,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.1,"MP.Reference":"EPA-CCD-OPERA","MW":366.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"18.7,13.5,23.9,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00598,0.00233,0.0123","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"79-95-8"}
{"Compound":"2,2,4-trimethyl-1,3-pentanediol diisobutyrate","CAS":"6846-50-0","CAS.Checksum":true,"DTXSID":"DTXSID1027635","Formula":"C16H30O4","All.Compound.Names":"2,2,4-trimethyl-1,3-pentanediol diisobutyrate|Dtxsid1027635","logHenry":-6.967,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.777,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.661,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.781,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.78,"MP.Reference":"EPA-CCD-OPERA","MW":286.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9.95,3.32,18,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"9.42e-07,2.21e-13,0.333","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"6846-50-0"}
{"Compound":"2,3-dihydro-2,2-dimethyl-7-benzofuranol","CAS":"1563-38-8","CAS.Checksum":true,"DTXSID":"DTXSID2027414","Formula":"C10H12O2","All.Compound.Names":"2,3-dihydro-2,2-dimethyl-7-benzofuranol|Dtxsid2027414|1563-38-8","logHenry":-6.626,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.083,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.64,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.179,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.97,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"37.5,20.9,67.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.9986,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.364,0.337,0.389","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1563-38-8"}
{"Compound":"2,3-dimethylphenol","CAS":"526-75-0","CAS.Checksum":true,"DTXSID":"DTXSID6025143","Formula":"C8H10O","All.Compound.Names":"2,3-dimethylphenol|Dtxsid6025143|526-75-0","logHenry":-6.085,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.476,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.591,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.484,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.93,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"56.3,31.3,101","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"40.7,21.3,77.9,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"526-75-0"}
{"Compound":"2,3-dinitrotoluene","CAS":"602-01-7","CAS.Checksum":true,"DTXSID":"DTXSID4027236","Formula":"C7H6N2O4","All.Compound.Names":"2,3-dinitrotoluene|Dtxsid4027236","logHenry":-6.982,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.889,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.165,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.923,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.84,"MP.Reference":"EPA-CCD-OPERA","MW":182.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.337,0.177,0.662","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"602-01-7"}
{"Compound":"2,3,4-trihydroxbenzophenone","CAS":"1143-72-2","CAS.Checksum":true,"DTXSID":"DTXSID6037728","Formula":"C13H10O4","All.Compound.Names":"2,3,4-trihydroxbenzophenone|Dtxsid6037728|1143-72-2","logHenry":-8.865,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.833,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.703,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.677,"logWSol.Reference":"EPA-CCD-OPERA","MP":231.4,"MP.Reference":"EPA-CCD-OPERA","MW":230.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"42.3,23.5,76.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"94.1,45.2,123,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0185,0.0095,0.0369","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1143-72-2"}
{"Compound":"2,3,6-trimethylphenol","CAS":"2416-94-6","CAS.Checksum":true,"DTXSID":"DTXSID6022187","Formula":"C9H12O","All.Compound.Names":"2,3,6-trimethylphenol|Dtxsid6022187|2416-94-6","logHenry":-5.926,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.671,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.319,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.935,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.89,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"106,48.2,156,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0908,0.0798,0.107","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2416-94-6"}
{"Compound":"2,4-bis(1-methyl-1-phenylethyl)phenol","CAS":"2772-45-4","CAS.Checksum":true,"DTXSID":"DTXSID7029241","Formula":"C24H26O","All.Compound.Names":"2,4-bis(1-methyl-1-phenylethyl)phenol|Dtxsid7029241|2772-45-4","logHenry":-6.907,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.073,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.464,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.34,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.6,"MP.Reference":"EPA-CCD-OPERA","MW":330.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"128,26.6,1140,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2772-45-4"}
{"Compound":"2,4-di-tert-butylphenol","CAS":"96-76-4","CAS.Checksum":true,"DTXSID":"DTXSID2026602","Formula":"C14H22O","All.Compound.Names":"2,4-di-tert-butylphenol|Dtxsid2026602|96-76-4","logHenry":-5.028,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.186,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.487,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.773,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.26,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.52,0.445,5.86,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.144,0.0853,0.275","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"96-76-4"}
{"Compound":"2,4-diaminotoluene","CAS":"95-80-7","CAS.Checksum":true,"DTXSID":"DTXSID4020402","Formula":"C7H10N2","All.Compound.Names":"2,4-diaminotoluene|Dtxsid4020402|95-80-7","logHenry":-7.251,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1414,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.718,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5082,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.36,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,28.7,0.958","Human.Clint.pValue":0.9577,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"95-80-7"}
{"Compound":"2,4,4'-trihydroxybenzophenone","CAS":"1470-79-7","CAS.Checksum":true,"DTXSID":"DTXSID8044836","Formula":"C13H10O4","All.Compound.Names":"2,4,4'-trihydroxybenzophenone|Dtxsid8044836|1470-79-7","logHenry":-9.683,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.707,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.492,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.584,"logWSol.Reference":"EPA-CCD-OPERA","MP":253.2,"MP.Reference":"EPA-CCD-OPERA","MW":230.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"46.3,25.7,83.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"21.1,5.66,53.6,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0196,0.0127,0.0327","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1470-79-7"}
{"Compound":"2,4,6-trimethylphenol","CAS":"527-60-6","CAS.Checksum":true,"DTXSID":"DTXSID7022049","Formula":"C9H12O","All.Compound.Names":"2,4,6-trimethylphenol|Dtxsid7022049|527-60-6","logHenry":-5.928,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.729,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.261,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.05,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.4,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"163,53.8,199,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.109,0.0888,0.136","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"527-60-6"}
{"Compound":"2,4,6-tris(allyloxy)-1,3,5-triazine","CAS":"101-37-1","CAS.Checksum":true,"DTXSID":"DTXSID8037754","Formula":"C12H15N3O3","All.Compound.Names":"2,4,6-tris(allyloxy)-1,3,5-triazine|Dtxsid8037754|101-37-1","logHenry":-6.518,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.219,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.985,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.675,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.08,"MP.Reference":"EPA-CCD-OPERA","MW":249.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.78","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9.27,4.11,12.5,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"101-37-1"}
{"Compound":"2,4,6-tris(tert-butyl)phenol","CAS":"732-26-3","CAS.Checksum":true,"DTXSID":"DTXSID2021311","Formula":"C18H30O","All.Compound.Names":"2,4,6-tris(tert-butyl)phenol|Dtxsid2021311|732-26-3","logHenry":-4.717,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.06,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.587,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.874,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.6,"MP.Reference":"EPA-CCD-OPERA","MW":262.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.255,0.0629,1.03","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"40.7,9.78,174,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"732-26-3"}
{"Compound":"2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol","CAS":"79-74-3","CAS.Checksum":true,"DTXSID":"DTXSID5044992","Formula":"C16H26O2","All.Compound.Names":"2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol|Dtxsid5044992|79-74-3","logHenry":-5.549,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.911,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.46,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.04,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.9,"MP.Reference":"EPA-CCD-OPERA","MW":250.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"11.4,5.92,20.5,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0166,0.00951,0.0334","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"79-74-3"}
{"Compound":"2,5-dimethylphenol","CAS":"95-87-4","CAS.Checksum":true,"DTXSID":"DTXSID6025145","Formula":"C8H10O","All.Compound.Names":"2,5-dimethylphenol|Dtxsid6025145|95-87-4","logHenry":-5.991,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.331,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.736,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.484,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.21,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"53.5,29.7,96.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"33.8,20.4,62.5,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"95-87-4"}
{"Compound":"2,6,10-trimethyl-2,6,10-triazaundecane","CAS":"3855-32-1","CAS.Checksum":true,"DTXSID":"DTXSID1044564","Formula":"C11H27N3","All.Compound.Names":"2,6,10-trimethyl-2,6,10-triazaundecane|Dtxsid1044564|3855-32-1","logHenry":-5.505,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2133,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.543,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4369,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.87,"MP.Reference":"EPA-CCD-OPERA","MW":201.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"9.25,5.14,16.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9998,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0383,0.0189,0.0712","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"3855-32-1"}
{"Compound":"3-chloro-4-methylaniline","CAS":"95-74-9","CAS.Checksum":true,"DTXSID":"DTXSID0020286","Formula":"C7H8ClN","All.Compound.Names":"3-chloro-4-methylaniline|Dtxsid0020286|95-74-9","logHenry":-6.275,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.926,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.531,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.469,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.4,"MP.Reference":"EPA-CCD-OPERA","MW":141.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.11","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"65.3,56.8,72.1,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.145,0.0892,0.257","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"95-74-9"}
{"Compound":"3-dimethylaminophenol","CAS":"99-07-0","CAS.Checksum":true,"DTXSID":"DTXSID0025101","Formula":"C8H11NO","All.Compound.Names":"3-dimethylaminophenol|Dtxsid0025101|99-07-0","logHenry":-6.57,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.561,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.139,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.594,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.86,"MP.Reference":"EPA-CCD-OPERA","MW":137.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.94","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"9.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"51.3,28.5,92.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,7.78,0.84","Human.Clint.pValue":0.8405,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.242,0.0828,0.459","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"99-07-0"}
{"Compound":"3-ethylphenol","CAS":"620-17-7","CAS.Checksum":true,"DTXSID":"DTXSID0022480","Formula":"C8H10O","All.Compound.Names":"3-ethylphenol|Dtxsid0022480|620-17-7","logHenry":-6.199,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.403,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.687,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.505,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.282,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.255,0.193,0.338","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"620-17-7"}
{"Compound":"3-iodo-2-propynyl-n-butylcarbamate","CAS":"55406-53-6","CAS.Checksum":true,"DTXSID":"DTXSID0028038","Formula":"C8H12INO2","All.Compound.Names":"3-iodo-2-propynyl-n-butylcarbamate|Dtxsid0028038|55406-53-6","logHenry":-7.738,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.091,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.45,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.707,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.19,"MP.Reference":"EPA-CCD-OPERA","MW":281.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"486,163,1200,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.719,0.21,0.987","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"55406-53-6"}
{"Compound":"3-isopropylphenol","CAS":"618-45-1","CAS.Checksum":true,"DTXSID":"DTXSID0044571","Formula":"C9H12O","All.Compound.Names":"3-isopropylphenol|Dtxsid0044571|618-45-1","logHenry":-6.145,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.015,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.496,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.999,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.09,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"39.6,22,71.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"19.9,7.82,50.1,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.14,0.127,0.157","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"618-45-1"}
{"Compound":"3-methylaniline","CAS":"108-44-1","CAS.Checksum":true,"DTXSID":"DTXSID1026792","Formula":"C7H9N","All.Compound.Names":"3-methylaniline|Dtxsid1026792|108-44-1","logHenry":-5.775,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.4,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.51,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.075,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.91,"MP.Reference":"EPA-CCD-OPERA","MW":107.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"32.9,7.44,1040,0.00074","Human.Clint.pValue":0.00074,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.549,0.247,0.982","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"108-44-1"}
{"Compound":"3-pyridinecarbonitrile","CAS":"100-54-9","CAS.Checksum":true,"DTXSID":"DTXSID1026665","Formula":"C6H4N2","All.Compound.Names":"3-pyridinecarbonitrile|Dtxsid1026665|100-54-9","logHenry":-6.541,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3613,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.054,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.213,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.58,"MP.Reference":"EPA-CCD-OPERA","MW":104.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9997,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"100-54-9"}
{"Compound":"3-tert-butylphenol","CAS":"585-34-2","CAS.Checksum":true,"DTXSID":"DTXSID9044825","Formula":"C10H14O","All.Compound.Names":"3-tert-butylphenol|Dtxsid9044825|585-34-2","logHenry":-6.112,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.301,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.202,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.867,"logWSol.Reference":"EPA-CCD-OPERA","MP":42,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"29.8,16.6,53.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"40.2,11.8,62.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.116,0.097,0.141","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"585-34-2"}
{"Compound":"3,3'-dimethoxybenzidine dihydrochloride","CAS":"20325-40-0","CAS.Checksum":true,"DTXSID":"DTXSID1020485","Formula":"C14H18Cl2N2O2","All.Compound.Names":"3,3'-dimethoxybenzidine dihydrochloride|C.i. disperse black 6 dihydrochloride|Dtxsid1020485|20325-40-0","logHenry":-7.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2588,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.369,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.611,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.5,"MP.Reference":"EPA-CCD-OPERA","MW":317.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"49.7,27.7,89.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"3.23,0,5.29,0.0501","Human.Clint.pValue":0.05006,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.201,0.151,0.284","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"20325-40-0"}
{"Compound":"3,3'-dimethylbenzidine dihydrochloride","CAS":"612-82-8","CAS.Checksum":true,"DTXSID":"DTXSID6020511","Formula":"C14H18Cl2N2","All.Compound.Names":"3,3'-dimethylbenzidine dihydrochloride|Dtxsid6020511|612-82-8","logHenry":-6.972,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9007,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.92,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.213,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.9,"MP.Reference":"EPA-CCD-OPERA","MW":285.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.11","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"30,16.7,53.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"25.4,20.2,28.5,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.115,0.0824,0.159","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"612-82-8"}
{"Compound":"3,3'-dimethylbisphenol a","CAS":"79-97-0","CAS.Checksum":true,"DTXSID":"DTXSID8047890","Formula":"C17H20O2","All.Compound.Names":"3,3'-dimethylbisphenol a|Dtxsid8047890|79-97-0","logHenry":-6.047,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.872,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.196,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.621,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.3,"MP.Reference":"EPA-CCD-OPERA","MW":256.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"191,28.6,1170,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"79-97-0"}
{"Compound":"3,4-diaminotoluene","CAS":"496-72-0","CAS.Checksum":true,"DTXSID":"DTXSID9024930","Formula":"C7H10N2","All.Compound.Names":"3,4-diaminotoluene|Dtxsid9024930|496-72-0","logHenry":-7.253,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6574,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.114,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5177,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.3,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"8.27,3.52,18.2,0.00384","Human.Clint.pValue":0.00384,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"496-72-0"}
{"Compound":"3,4-dichloronitrobenzene","CAS":"99-54-7","CAS.Checksum":true,"DTXSID":"DTXSID8024999","Formula":"C6H3Cl2NO2","All.Compound.Names":"3,4-dichloronitrobenzene|Dtxsid8024999","logHenry":-5.093,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.119,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.093,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.213,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.35,"MP.Reference":"EPA-CCD-OPERA","MW":192,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"387,27.5,1260,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"1.21e-07,1.92e-13,0.0277","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"99-54-7"}
{"Compound":"3,5-dichloroaniline","CAS":"626-43-7","CAS.Checksum":true,"DTXSID":"DTXSID7030307","Formula":"C6H5Cl2N","All.Compound.Names":"3,5-dichloroaniline|Dtxsid7030307|626-43-7","logHenry":-6.274,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.899,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.595,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.337,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.11,"MP.Reference":"EPA-CCD-OPERA","MW":162,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"86.1,81.6,90.1,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0522,0.0463,0.0586","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"626-43-7"}
{"Compound":"3,5-dichlorosalicyl-3,4-dichloroanullide","CAS":"1154-59-2","CAS.Checksum":true,"DTXSID":"DTXSID4040767","Formula":"C13H7Cl4NO2","All.Compound.Names":"3,5-dichlorosalicyl-3,4-dichloroanullide|3,5-dichlorosalicyl-3,4-dichloroanilide|Dtxsid4040767","logHenry":-9.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.109,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.24,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.17,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.2,"MP.Reference":"EPA-CCD-OPERA","MW":351,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.95,12.89","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9996,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"9.31e-09,1.66e-13,0.000842","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1154-59-2"}
{"Compound":"3,5,3'-triiodothyronine","CAS":"6893-02-3","CAS.Checksum":true,"DTXSID":"DTXSID8023216","Formula":"C15H12I3NO4","All.Compound.Names":"3,5,3'-triiodothyronine|Dtxsid8023216|6893-02-3","logHenry":-8.966,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.769,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.61,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.712,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.2,"MP.Reference":"EPA-CCD-OPERA","MW":651,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.106,0.0262,0.429","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.991","Human.Clint.pValue":0.9907,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"3.46e-05,2.61e-13,0.0188","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"6893-02-3"}
{"Compound":"4-(2-phenylpropan-2-yl)-n-[4-(2-phenylpropan-2-yl)phenyl]aniline","CAS":"10081-67-1","CAS.Checksum":true,"DTXSID":"DTXSID0027721","Formula":"C30H31N","All.Compound.Names":"4-(2-phenylpropan-2-yl)-n-[4-(2-phenylpropan-2-yl)phenyl]aniline|Dtxsid0027721|10081-67-1","logHenry":-6.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.246,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9826,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.935,"logWSol.Reference":"EPA-CCD-OPERA","MP":139,"MP.Reference":"EPA-CCD-OPERA","MW":405.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.997","Human.Clint.pValue":0.9972,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"3.09e-08,1.75e-13,0.00616","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"10081-67-1"}
{"Compound":"4-(4-hydroxyphenyl)butan-2-one","CAS":"5471-51-2","CAS.Checksum":true,"DTXSID":"DTXSID5044495","Formula":"C10H12O2","All.Compound.Names":"4-(4-hydroxyphenyl)butan-2-one|Dtxsid5044495|5471-51-2","logHenry":-7.783,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.655,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.769,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.466,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.6,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"29.1,22.6,122,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"5471-51-2"}
{"Compound":"4-(hexyloxy)phenol","CAS":"18979-55-0","CAS.Checksum":true,"DTXSID":"DTXSID4048195","Formula":"C12H18O2","All.Compound.Names":"4-(hexyloxy)phenol|Dtxsid4048195|18979-55-0","logHenry":-5.456,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.355,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.446,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.438,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.93,"MP.Reference":"EPA-CCD-OPERA","MW":194.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"20.9,11.6,37.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"83.6,13.6,543,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00077,2.72e-13,0.0184","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"18979-55-0"}
{"Compound":"4-aminobenzoic acid","CAS":"150-13-0","CAS.Checksum":true,"DTXSID":"DTXSID6024466","Formula":"C7H7NO2","All.Compound.Names":"4-aminobenzoic acid|Dtxsid6024466|150-13-0","logHenry":-9.345,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8241,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.033,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.169,"logWSol.Reference":"EPA-CCD-OPERA","MP":188,"MP.Reference":"EPA-CCD-OPERA","MW":137.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.51","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"11,6.1,19.7","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,2.38,0.941","Human.Clint.pValue":0.9409,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.766,0.62,0.964","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"150-13-0"}
{"Compound":"4-anilinophenol","CAS":"122-37-2","CAS.Checksum":true,"DTXSID":"DTXSID5037739","Formula":"C12H11NO","All.Compound.Names":"4-anilinophenol|Dtxsid5037739|122-37-2","logHenry":-7.431,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.822,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.549,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.522,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.23,"MP.Reference":"EPA-CCD-OPERA","MW":185.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.12","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.97","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"44,24.5,79.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"75.1,55,95.9,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0582,0.0376,0.101","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"122-37-2"}
{"Compound":"4-butylaniline","CAS":"104-13-2","CAS.Checksum":true,"DTXSID":"DTXSID8021856","Formula":"C10H15N","All.Compound.Names":"4-butylaniline|Dtxsid8021856|104-13-2","logHenry":-5.572,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.048,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.689,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.912,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.55,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"54.8,30.5,98.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"26.4,19.7,34.2,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0599,0.0529,0.069","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"104-13-2"}
{"Compound":"4-butyloxyaniline","CAS":"4344-55-2","CAS.Checksum":true,"DTXSID":"DTXSID4048199","Formula":"C10H15NO","All.Compound.Names":"4-butyloxyaniline|Dtxsid4048199|4344-55-2","logHenry":-6.545,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.459,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.972,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9867,"logWSol.Reference":"EPA-CCD-OPERA","MP":36.33,"MP.Reference":"EPA-CCD-OPERA","MW":165.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"59.4,33,107","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"28.4,24,31.1,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.165,0.154,0.18","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"4344-55-2"}
{"Compound":"4-butylphenol","CAS":"1638-22-8","CAS.Checksum":true,"DTXSID":"DTXSID3047425","Formula":"C10H14O","All.Compound.Names":"4-butylphenol|Dtxsid3047425|1638-22-8","logHenry":-6.253,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.647,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.798,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.267,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.18,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"30.1,16.7,54.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"127,71.7,174,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0358,1.7e-09,0.108","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1638-22-8"}
{"Compound":"4-chloro-1,2-diaminobenzene","CAS":"95-83-0","CAS.Checksum":true,"DTXSID":"DTXSID5020283","Formula":"C6H7ClN2","All.Compound.Names":"4-chloro-1,2-diaminobenzene|Dtxsid5020283|95-83-0","logHenry":-6.621,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.277,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.566,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.238,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.1,"MP.Reference":"EPA-CCD-OPERA","MW":142.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"31.6,23.6,39.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.373,0.228,0.68","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"95-83-0"}
{"Compound":"4-chloroanulline","CAS":"106-47-8","CAS.Checksum":true,"DTXSID":"DTXSID9020295","Formula":"C6H6ClN","All.Compound.Names":"4-chloroanulline|4-chloroaniline|Dtxsid9020295|106-47-8","logHenry":-6.468,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.832,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.418,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.558,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.39,"MP.Reference":"EPA-CCD-OPERA","MW":127.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"57.5,32,103","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,6.05,0.953","Human.Clint.pValue":0.9529,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.264,0.238,0.294","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"106-47-8"}
{"Compound":"4-cumylphenol","CAS":"599-64-4","CAS.Checksum":true,"DTXSID":"DTXSID3022536","Formula":"C15H16O","All.Compound.Names":"4-cumylphenol|Dtxsid3022536|599-64-4","logHenry":-6.586,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.691,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.153,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.176,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.92,"MP.Reference":"EPA-CCD-OPERA","MW":212.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"27.2,17,34.9,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0231,0.0159,0.037","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"599-64-4"}
{"Compound":"4-ethoxyaniline","CAS":"156-43-4","CAS.Checksum":true,"DTXSID":"DTXSID0025864","Formula":"C8H11NO","All.Compound.Names":"4-ethoxyaniline|Dtxsid0025864|156-43-4","logHenry":-6.659,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.238,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.51,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9632,"logWSol.Reference":"EPA-CCD-OPERA","MP":3.234,"MP.Reference":"EPA-CCD-OPERA","MW":137.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"62.2,34.6,112","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"13.8,8.83,23.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.485,0.451,0.525","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"156-43-4"}
{"Compound":"4-heptylphenol","CAS":"1987-50-4","CAS.Checksum":true,"DTXSID":"DTXSID2037714","Formula":"C13H20O","All.Compound.Names":"4-heptylphenol|Dtxsid2037714|1987-50-4","logHenry":-5.337,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.028,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.198,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.492,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.35,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"42.5,29,60.9,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00365,0.00106,0.0123","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1987-50-4"}
{"Compound":"4-hexylanilline","CAS":"33228-45-4","CAS.Checksum":true,"DTXSID":"DTXSID5040708","Formula":"C12H19N","All.Compound.Names":"4-hexylanilline|4-hexylaniline|Dtxsid5040708|33228-45-4","logHenry":-5.503,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.207,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.54,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.026,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.84,"MP.Reference":"EPA-CCD-OPERA","MW":177.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"440,18,1280,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00695,0.00328,0.0219","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"33228-45-4"}
{"Compound":"4-hexyloxyanilline","CAS":"39905-57-2","CAS.Checksum":true,"DTXSID":"DTXSID4022288","Formula":"C12H19NO","All.Compound.Names":"4-hexyloxyanilline|4-hexyloxyaniline|Dtxsid4022288|39905-57-2","logHenry":-5.847,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.635,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.658,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.912,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.96,"MP.Reference":"EPA-CCD-OPERA","MW":193.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"79.3,14.1,176,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0252,0.0155,0.0418","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"39905-57-2"}
{"Compound":"4-hydroxy-3-methoxybenzaldehyde","CAS":"121-33-5","CAS.Checksum":true,"DTXSID":"DTXSID0021969","Formula":"C8H8O3","All.Compound.Names":"4-hydroxy-3-methoxybenzaldehyde|Dtxsid0021969|121-33-5","logHenry":-8.737,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.193,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.287,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.144,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.02,"MP.Reference":"EPA-CCD-OPERA","MW":152.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"234,104,306,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.322,0.26,0.409","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"121-33-5"}
{"Compound":"4-methoxyphenol","CAS":"150-76-5","CAS.Checksum":true,"DTXSID":"DTXSID4020828","Formula":"C7H8O2","All.Compound.Names":"4-methoxyphenol|Dtxsid4020828|150-76-5","logHenry":-6.657,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.579,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.404,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5229,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.88,"MP.Reference":"EPA-CCD-OPERA","MW":124.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"51.7,28.7,92.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"36,2.41,106,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"150-76-5"}
{"Compound":"4-methylaniline","CAS":"106-49-0","CAS.Checksum":true,"DTXSID":"DTXSID6021872","Formula":"C7H9N","All.Compound.Names":"4-methylaniline|4-methylbenzenamine|Dtxsid6021872|106-49-0","logHenry":-5.698,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.39,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.521,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.206,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.74,"MP.Reference":"EPA-CCD-OPERA","MW":107.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"57.3,31.9,103","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Funbound.plasma":"0.422,0.274,0.603","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"106-49-0"}
{"Compound":"4-methylbenzophenone","CAS":"134-84-9","CAS.Checksum":true,"DTXSID":"DTXSID9037741","Formula":"C14H12O","All.Compound.Names":"4-methylbenzophenone|Dtxsid9037741","logHenry":-5.23,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.306,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.151,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.336,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.02,"MP.Reference":"EPA-CCD-OPERA","MW":196.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"45.8,25.5,82.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"118,33.4,201,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0188,0.00949,0.0432","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"134-84-9"}
{"Compound":"4-nitroaniline","CAS":"100-01-6","CAS.Checksum":true,"DTXSID":"DTXSID8020961","Formula":"C6H6N2O2","All.Compound.Names":"4-nitroaniline|4-nitrobenzenamine|Dtxsid8020961|100-01-6","logHenry":-8.898,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.388,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.184,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.317,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.5,"MP.Reference":"EPA-CCD-OPERA","MW":138.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"23.6,12.9,28.6,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"1.82e-06,2.19e-13,0.973","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"5.07","Rat.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"100-01-6"}
{"Compound":"4-nitrophenol","CAS":"100-02-7","CAS.Checksum":true,"DTXSID":"DTXSID0021834","Formula":"C6H5NO3","All.Compound.Names":"4-nitrophenol|Dtxsid0021834|100-02-7","logHenry":-9.376,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.912,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.201,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.014,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.6,"MP.Reference":"EPA-CCD-OPERA","MW":139.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"60.4,33.6,109","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"14,0,25,0.0344","Human.Clint.pValue":0.03442,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.141,0.103,0.199","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"100-02-7"}
{"Compound":"4-nitrosodiphenylamine","CAS":"156-10-5","CAS.Checksum":true,"DTXSID":"DTXSID1021031","Formula":"C12H10N2O","All.Compound.Names":"4-nitrosodiphenylamine|Dtxsid1021031|156-10-5","logHenry":-8.955,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.043,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.418,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.41,"logWSol.Reference":"EPA-CCD-OPERA","MP":143,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-1.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"839,183,1310,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.123,1.49e-05,0.21","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"156-10-5"}
{"Compound":"4-pentylaniline","CAS":"33228-44-3","CAS.Checksum":true,"DTXSID":"DTXSID0040707","Formula":"C11H17N","All.Compound.Names":"4-pentylaniline|Dtxsid0040707|33228-44-3","logHenry":-6.039,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.39,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.101,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.473,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.93,"MP.Reference":"EPA-CCD-OPERA","MW":163.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"18.2,10.5,24.2,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0234,0.0153,0.04","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"33228-44-3"}
{"Compound":"4-propylanilline","CAS":"2696-84-6","CAS.Checksum":true,"DTXSID":"DTXSID5048180","Formula":"C9H13N","All.Compound.Names":"4-propylanilline|4-propylaniline|Dtxsid5048180|2696-84-6","logHenry":-5.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.4,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.164,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9418,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.772,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"30.2,16.8,54.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"17.3,6.92,28.9,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.136,0.0864,0.219","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2696-84-6"}
{"Compound":"4-tert-butylaniline","CAS":"769-92-6","CAS.Checksum":true,"DTXSID":"DTXSID0048181","Formula":"C10H15N","All.Compound.Names":"4-tert-butylaniline|Dtxsid0048181|769-92-6","logHenry":-5.569,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.798,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.75,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.01,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"61.2,34.1,110","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"10.7,6.66,13.6,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.155,0.14,0.173","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"769-92-6"}
{"Compound":"4-vinyl-1-cyclohexene dioxide","CAS":"106-87-6","CAS.Checksum":true,"DTXSID":"DTXSID0020604","Formula":"C8H12O2","All.Compound.Names":"4-vinyl-1-cyclohexene dioxide|4-vinyl-1-cyclohexene diepoxide|Dtxsid0020604","logHenry":-4.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4431,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.863,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2445,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.45,"MP.Reference":"EPA-CCD-OPERA","MW":140.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"136,20.8,1210,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"106-87-6"}
{"Compound":"4,4'-(9h-fluorene-9,9-diyl)diphenol","CAS":"3236-71-3","CAS.Checksum":true,"DTXSID":"DTXSID5037731","Formula":"C25H18O2","All.Compound.Names":"4,4'-(9h-fluorene-9,9-diyl)diphenol|Dtxsid5037731|3236-71-3","logHenry":-7.706,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.674,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.85,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.115,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.8,"MP.Reference":"EPA-CCD-OPERA","MW":350.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"22.4,18.8,26.6,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"1.24e-08,1.64e-13,0.00159","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"3236-71-3"}
{"Compound":"4,4'-(isopropylidenebis(4,1-phenyleneoxy))dianiline","CAS":"13080-86-9","CAS.Checksum":true,"DTXSID":"DTXSID5051650","Formula":"C27H26N2O2","All.Compound.Names":"4,4'-(isopropylidenebis(4,1-phenyleneoxy))dianiline|Dtxsid5051650|13080-86-9","logHenry":-6.995,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.357,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.276,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.023,"logWSol.Reference":"EPA-CCD-OPERA","MP":250.9,"MP.Reference":"EPA-CCD-OPERA","MW":410.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9996,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"2.48e-08,1.91e-13,0.00338","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"13080-86-9"}
{"Compound":"4,4'-bipyridine","CAS":"553-26-4","CAS.Checksum":true,"DTXSID":"DTXSID2027200","Formula":"C10H8N2","All.Compound.Names":"4,4'-bipyridine|Dtxsid2027200|553-26-4","logHenry":-6.067,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.284,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.038,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.537,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.8,"MP.Reference":"EPA-CCD-OPERA","MW":156.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.998","Human.Clint.pValue":0.9981,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.319,7.48e-09,0.954","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"553-26-4"}
{"Compound":"4,4'-dibromodiphenyl ether","CAS":"2050-47-7","CAS.Checksum":true,"DTXSID":"DTXSID9024015","Formula":"C12H8Br2O","All.Compound.Names":"4,4'-dibromodiphenyl ether|Dtxsid9024015","logHenry":-3.985,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.719,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.908,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.953,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.57,"MP.Reference":"EPA-CCD-OPERA","MW":328,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"12.4,0,1080,0.349","Human.Clint.pValue":0.349,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2050-47-7"}
{"Compound":"4,4'-methylenebis(2,6-diethylaniline)","CAS":"13680-35-8","CAS.Checksum":true,"DTXSID":"DTXSID4048191","Formula":"C21H30N2","All.Compound.Names":"4,4'-methylenebis(2,6-diethylaniline)|Dtxsid4048191|13680-35-8","logHenry":-7.178,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.139,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.283,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.115,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.8,"MP.Reference":"EPA-CCD-OPERA","MW":310.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"8.2,4.07,12.7,2e-05","Human.Clint.pValue":0.00002,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00874,0.00557,0.0156","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"13680-35-8"}
{"Compound":"5-amino-2-methylphenol","CAS":"2835-95-2","CAS.Checksum":true,"DTXSID":"DTXSID9024489","Formula":"C7H9NO","All.Compound.Names":"5-amino-2-methylphenol|Dtxsid9024489|2835-95-2","logHenry":-7.048,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7676,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8739,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.7,"MP.Reference":"EPA-CCD-OPERA","MW":123.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.48","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.09","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"33.5,18.6,60.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"16,7.43,47.7,4e-05","Human.Clint.pValue":0.00004,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.604,0.507,0.734","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2835-95-2"}
{"Compound":"6-methyl-2-thiouracil","CAS":"56-04-2","CAS.Checksum":true,"DTXSID":"DTXSID2020890","Formula":"C5H6N2OS","All.Compound.Names":"6-methyl-2-thiouracil|Dtxsid2020890|56-04-2","logHenry":-7.876,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5346,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.471,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.427,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.5,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.11","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.75,14.10","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9995,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"56-04-2"}
{"Compound":"6-methylquinoline","CAS":"91-62-3","CAS.Checksum":true,"DTXSID":"DTXSID3020887","Formula":"C10H9N","All.Compound.Names":"6-methylquinoline|Dtxsid3020887|91-62-3","logHenry":-4.347,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.569,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.174,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.229,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.946,"MP.Reference":"EPA-CCD-OPERA","MW":143.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"28.8,16,51.8","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"134,43.1,206,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.101,0.0843,0.125","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"91-62-3"}
{"Compound":"6-thioguanine","CAS":"154-42-7","CAS.Checksum":true,"DTXSID":"DTXSID6023652","Formula":"C5H5N5S","All.Compound.Names":"6-thioguanine|154-42-7|Dtxsid6023652","logHenry":-8.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.06896,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.387,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.598,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.9,"MP.Reference":"EPA-CCD-OPERA","MW":167.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.166,0.0409,0.672","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"2.36,0,9.97,0.478","Human.Clint.pValue":0.4778,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.3,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.804,0.401,0.987","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"154-42-7"}
{"Compound":"7-hydroxy-4-trifluoromethylcoumarin","CAS":"575-03-1","CAS.Checksum":true,"DTXSID":"DTXSID80206109","Formula":"C10H5F3O3","All.Compound.Names":"7-hydroxy-4-trifluoromethylcoumarin|Hfc|Dtxsid80206109|575-03-1","logHenry":-8.143,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.123,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.458,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.758,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.1,"MP.Reference":"EPA-CCD-OPERA","MW":230.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"42.89","Human.Clint.Reference":"Paini 2020","Chemical.Class":"","_row":"575-03-1"}
{"Compound":"Acetophenone","CAS":"98-86-2","CAS.Checksum":true,"DTXSID":"DTXSID6021828","Formula":"C8H8O","All.Compound.Names":"Acetophenone|Dtxsid6021828","logHenry":-4.983,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.582,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.855,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.287,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.29,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.983","Human.Clint.pValue":0.9833,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.326,0.238,0.443","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"98-86-2"}
{"Compound":"Acetyl tributyl citrate","CAS":"77-90-7","CAS.Checksum":true,"DTXSID":"DTXSID2026446","Formula":"C20H34O8","All.Compound.Names":"Acetyl tributyl citrate|Dtxsid2026446","logHenry":-7.535,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.366,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.972,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.905,"logWSol.Reference":"EPA-CCD-OPERA","MP":-79.63,"MP.Reference":"EPA-CCD-OPERA","MW":402.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"261,151,399,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00942,0.00426,0.0262","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"77-90-7"}
{"Compound":"Acibenzolar-s-methyl","CAS":"135158-54-2","CAS.Checksum":true,"DTXSID":"DTXSID1032519","Formula":"C8H6N2OS2","All.Compound.Names":"Acibenzolar-s-methyl|Dtxsid1032519|135158-54-2","logHenry":-6.115,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.098,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.62,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.436,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.9,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"863,250,1310,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0232,0.019,0.0318","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"135158-54-2"}
{"Compound":"Adriamycin hydrochloride","CAS":"25316-40-9","CAS.Checksum":true,"DTXSID":"DTXSID3030636","Formula":"C27H30ClNO11","All.Compound.Names":"Adriamycin hydrochloride|Dtxsid3030636|Doxorubicin hydrochloride|25316-40-9","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.473,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.069,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.093,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.3,"MP.Reference":"EPA-CCD-OPERA","MW":580,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9996,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.157,0.135,0.191","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"25316-40-9"}
{"Compound":"Aldoxycarb","CAS":"1646-88-4","CAS.Checksum":true,"DTXSID":"DTXSID6023862","Formula":"C7H14N2O4S","All.Compound.Names":"Aldoxycarb|Aldicarb sulfone|Dtxsid6023862|1646-88-4","logHenry":-8.955,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5679,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.284,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.677,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.6,"MP.Reference":"EPA-CCD-OPERA","MW":222.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.67","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"5.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.9986,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.948,0.734,0.989","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1646-88-4"}
{"Compound":"Allura red c.i.16035","CAS":"25956-17-6","CAS.Checksum":true,"DTXSID":"DTXSID4024436","Formula":"C18H14N2Na2O8S2","All.Compound.Names":"Allura red c.i.16035|Dtxsid4024436|25956-17-6","logHenry":-9.65,"logHenry.Reference":"OPERA29","logP":-0.48,"logP.Reference":"OPERA29","logWSol":-2.07,"logWSol.Reference":"OPERA29","MP":245,"MP.Reference":"OPERA29","MW":496.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.9988,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0137,0.00505,0.0345","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"25956-17-6"}
{"Compound":"Amiodarone hydrochloride","CAS":"19774-82-4","CAS.Checksum":true,"DTXSID":"DTXSID7037185","Formula":"C25H30ClI2NO3","All.Compound.Names":"Amiodarone hydrochloride|Dtxsid7037185|19774-82-4","logHenry":-5.981,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.244,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.433,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.261,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.6,"MP.Reference":"EPA-CCD-OPERA","MW":681.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.537","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0,0,0","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"19774-82-4"}
{"Compound":"Aniline hydrochloride","CAS":"142-04-1","CAS.Checksum":true,"DTXSID":"DTXSID3020091","Formula":"C6H8ClN","All.Compound.Names":"Aniline hydrochloride|Dtxsid3020091|142-04-1","logHenry":-5.695,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.108,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.045,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4138,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.1,"MP.Reference":"EPA-CCD-OPERA","MW":129.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.41,2.11,7.85,4e-05","Human.Clint.pValue":0.00004,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"142-04-1"}
{"Compound":"Apomorphine hydrochloride hydrate","CAS":"41372-20-7","CAS.Checksum":true,"DTXSID":"DTXSID0048185","Formula":"C34H38Cl2N2O5","All.Compound.Names":"Apomorphine hydrochloride hydrate|Apomorphine hydrochloride|Dtxsid0048185|41372-20-7","logHenry":-8.948,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1058,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.063,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.973,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.9,"MP.Reference":"EPA-CCD-OPERA","MW":625.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"31,17.2,55.7","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"17.4,5.05,44.6,8e-05","Human.Clint.pValue":0.00008,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0723,0.0388,0.128","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"41372-20-7"}
{"Compound":"Auramine hydrochloride","CAS":"2465-27-2","CAS.Checksum":true,"DTXSID":"DTXSID9020114","Formula":"C17H22ClN3","All.Compound.Names":"Auramine hydrochloride|Dtxsid9020114|2465-27-2","logHenry":-9.602,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5336,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.08,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.431,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.7,"MP.Reference":"EPA-CCD-OPERA","MW":303.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"22.9,12.7,41.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"8.66,4.14,13.7,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.107,0.081,0.139","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2465-27-2"}
{"Compound":"Azamethiphos","CAS":"35575-96-3","CAS.Checksum":true,"DTXSID":"DTXSID9034818","Formula":"C9H10ClN2O5PS","All.Compound.Names":"Azamethiphos|Dtxsid9034818|35575-96-3","logHenry":-7.671,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.05,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.67,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.471,"logWSol.Reference":"EPA-CCD-OPERA","MP":88.92,"MP.Reference":"EPA-CCD-OPERA","MW":324.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"429,244,1230,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.553,0.441,0.684","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"35575-96-3"}
{"Compound":"Azathioprine","CAS":"446-86-6","CAS.Checksum":true,"DTXSID":"DTXSID4020119","Formula":"C9H7N7O2S","All.Compound.Names":"Azathioprine|446-86-6|Dtxsid4020119","logHenry":-7.31,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.101,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.57,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.441,"logWSol.Reference":"EPA-CCD-OPERA","MP":243.5,"MP.Reference":"EPA-CCD-OPERA","MW":277.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.96","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Monkey","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.274,0.0676,1.11","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,6.73,0.839","Human.Clint.pValue":0.8394,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.6,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.32,0.278,0.371","Human.Funbound.plasma.Reference":"Wambaugh 2019","Monkey.Foral":0.51,"Monkey.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"446-86-6"}
{"Compound":"Azobenzene","CAS":"103-33-3","CAS.Checksum":true,"DTXSID":"DTXSID8020123","Formula":"C12H10N2","All.Compound.Names":"Azobenzene|Dtxsid8020123|103-33-3","logHenry":-4.416,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.819,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.024,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.451,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.26,"MP.Reference":"EPA-CCD-OPERA","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.52","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"73.7,26.8,145,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"2.8e-06,2.17e-13,0.971","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"103-33-3"}
{"Compound":"Benzal chloride","CAS":"98-87-3","CAS.Checksum":true,"DTXSID":"DTXSID6025014","Formula":"C7H6Cl2","All.Compound.Names":"Benzal chloride|Dtxsid6025014","logHenry":-2.579,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.658,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.771,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.808,"logWSol.Reference":"EPA-CCD-OPERA","MP":-16.19,"MP.Reference":"EPA-CCD-OPERA","MW":161,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1.03e-07,1.95e-13,0.139","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"98-87-3"}
{"Compound":"Benzocaine","CAS":"94-09-7","CAS.Checksum":true,"DTXSID":"DTXSID8021804","Formula":"C9H11NO2","All.Compound.Names":"Benzocaine|Dtxsid8021804|94-09-7","logHenry":-8.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.86,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.9,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.295,"logWSol.Reference":"EPA-CCD-OPERA","MP":91.68,"MP.Reference":"EPA-CCD-OPERA","MW":165.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"132,91.9,181,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.338,0.302,0.373","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"94-09-7"}
{"Compound":"Benzothiazole","CAS":"95-16-9","CAS.Checksum":true,"DTXSID":"DTXSID7024586","Formula":"C7H5NS","All.Compound.Names":"Benzothiazole|Dtxsid7024586|95-16-9","logHenry":-5.016,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.011,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.065,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.5,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.214,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"18.9,10,26.6,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"95-16-9"}
{"Compound":"Benzyl salicylate","CAS":"118-58-1","CAS.Checksum":true,"DTXSID":"DTXSID1024598","Formula":"C14H12O3","All.Compound.Names":"Benzyl salicylate|Dtxsid1024598|118-58-1","logHenry":-9.559,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.106,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.157,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.48,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.15,"MP.Reference":"EPA-CCD-OPERA","MW":228.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"841,236,1310,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"3.35e-08,1.76e-13,0.00665","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"118-58-1"}
{"Compound":"Besonprodil","CAS":"253450-09-8","CAS.Checksum":true,"DTXSID":"DTXSID2047270","Formula":"C21H23FN2O3S","All.Compound.Names":"Besonprodil|Dtxsid2047270|253450-09-8","logHenry":-10.11,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.239,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.98,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.976,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.5,"MP.Reference":"EPA-CCD-OPERA","MW":402.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.63","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.38","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"15.6,8.7,28.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"5.31,2.72,9.58,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0385,0.0251,0.0644","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"253450-09-8"}
{"Compound":"Beta-hexachlorocyclohexane","CAS":"319-85-7","CAS.Checksum":true,"DTXSID":"DTXSID7020685","Formula":"C6H6Cl6","All.Compound.Names":"Beta-hexachlorocyclohexane|Dtxsid7020685","logHenry":-5.493,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.719,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.373,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.815,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.73,"MP.Reference":"EPA-CCD-OPERA","MW":290.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.982","Human.Clint.pValue":0.9823,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"319-85-7"}
{"Compound":"Bicalutamide","CAS":"90357-06-5","CAS.Checksum":true,"DTXSID":"DTXSID2022678","Formula":"C18H14F4N2O4S","All.Compound.Names":"Bicalutamide|Dtxsid2022678|90357-06-5","logHenry":-9.645,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.477,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.964,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.319,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.7,"MP.Reference":"EPA-CCD-OPERA","MW":430.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9998,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0323,0.0266,0.0471","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"90357-06-5"}
{"Compound":"Biochanin a","CAS":"491-80-5","CAS.Checksum":true,"DTXSID":"DTXSID1022394","Formula":"C16H12O5","All.Compound.Names":"Biochanin a|Dtxsid1022394|491-80-5","logHenry":-9.05,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.138,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.096,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.244,"logWSol.Reference":"EPA-CCD-OPERA","MP":234.1,"MP.Reference":"EPA-CCD-OPERA","MW":284.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"13,7.26,23.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"230,204,250,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0203,0.0175,0.0259","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"491-80-5"}
{"Compound":"Bis(4-hydroxyphenyl)methane","CAS":"620-92-8","CAS.Checksum":true,"DTXSID":"DTXSID9022445","Formula":"C13H12O2","All.Compound.Names":"Bis(4-hydroxyphenyl)methane|Dtxsid9022445|620-92-8","logHenry":-6.905,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.912,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.264,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.702,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.2,"MP.Reference":"EPA-CCD-OPERA","MW":200.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"25.5,14.6,64.9,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"620-92-8"}
{"Compound":"Bisdemethoxycurcumin","CAS":"33171-05-0","CAS.Checksum":true,"DTXSID":"DTXSID00872663","Formula":"C19H16O4","All.Compound.Names":"Bisdemethoxycurcumin|Dtxsid00872663|33171-05-0","logHenry":-9.459,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.242,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.962,"logWSol.Reference":"EPA-CCD-OPERA","MP":272.7,"MP.Reference":"EPA-CCD-OPERA","MW":308.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"112,33.9,204,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"3.08e-08,1.74e-13,0.00562","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"33171-05-0"}
{"Compound":"Bisopp-a","CAS":"24038-68-4","CAS.Checksum":true,"DTXSID":"DTXSID9058654","Formula":"C27H24O2","All.Compound.Names":"Bisopp-a|Dtxsid9058654|24038-68-4","logHenry":-6.322,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.881,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.72,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.7,"MP.Reference":"EPA-CCD-OPERA","MW":380.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"2.4e-08,1.76e-13,0.00377","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"24038-68-4"}
{"Compound":"Bisphenol e","CAS":"2081-08-5","CAS.Checksum":true,"DTXSID":"DTXSID3047891","Formula":"C14H14O2","All.Compound.Names":"Bisphenol e|Dtxsid3047891|2081-08-5","logHenry":-6.904,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.238,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.96,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.892,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.7,"MP.Reference":"EPA-CCD-OPERA","MW":214.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"119,52,166,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2081-08-5"}
{"Compound":"Bispyribac-sodium","CAS":"125401-92-5","CAS.Checksum":true,"DTXSID":"DTXSID7034383","Formula":"C19H17N4NaO8","All.Compound.Names":"Bispyribac-sodium|Dtxsid7034383|125401-92-5","logHenry":-9.385,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.027,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8523,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.9,"MP.Reference":"EPA-CCD-OPERA","MW":452.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.15","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"1.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.961,0.237,3.89","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9998,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0106,0.00754,0.0192","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"125401-92-5"}
{"Compound":"Bromcresol green","CAS":"76-60-8","CAS.Checksum":true,"DTXSID":"DTXSID9044459","Formula":"C21H14Br4O5S","All.Compound.Names":"Bromcresol green|Dtxsid9044459|76-60-8","logHenry":-9.691,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.074,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.557,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.144,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.5,"MP.Reference":"EPA-CCD-OPERA","MW":698,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.00183,0.000841,0.00614","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"76-60-8"}
{"Compound":"Bromocresol green sodium salt","CAS":"62625-32-5","CAS.Checksum":true,"DTXSID":"DTXSID3044704","Formula":"C21H13Br4NaO5S","All.Compound.Names":"Bromocresol green sodium salt|Sodium 2,6-dibromo-4-(3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-2,2-dioxido-3h-1,2-benzoxathiol-3-yl)-3-methylphenolate|Dtxsid3044704|62625-32-5","logHenry":-6.95,"logHenry.Reference":"OPERA29","logP":3.69,"logP.Reference":"OPERA29","logWSol":-5.63,"logWSol.Reference":"OPERA29","MP":247,"MP.Reference":"OPERA29","MW":720,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.991","Human.Clint.pValue":0.9912,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00511,1.98e-11,0.0214","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"62625-32-5"}
{"Compound":"Bromocriptine mesylate","CAS":"22260-51-1","CAS.Checksum":true,"DTXSID":"DTXSID6020197","Formula":"C33H44BrN5O8S","All.Compound.Names":"Bromocriptine mesylate|Dtxsid6020197|22260-51-1","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6293,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.951,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.484,"logWSol.Reference":"EPA-CCD-OPERA","MP":140,"MP.Reference":"EPA-CCD-OPERA","MW":750.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.96","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.68,11.13,14.95","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"178,123,219,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00955,0.00569,0.0207","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"22260-51-1"}
{"Compound":"Bromophenol blue","CAS":"115-39-9","CAS.Checksum":true,"DTXSID":"DTXSID6041682","Formula":"C19H10Br4O5S","All.Compound.Names":"Bromophenol blue|Dtxsid6041682|115-39-9","logHenry":-8.773,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.78,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.812,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.313,"logWSol.Reference":"EPA-CCD-OPERA","MP":229.2,"MP.Reference":"EPA-CCD-OPERA","MW":670,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.982","Human.Clint.pValue":0.982,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"115-39-9"}
{"Compound":"Butyl benzoate","CAS":"136-60-7","CAS.Checksum":true,"DTXSID":"DTXSID8040694","Formula":"C11H14O2","All.Compound.Names":"Butyl benzoate|Dtxsid8040694","logHenry":-4.132,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.832,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.889,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.473,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.93,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"864,245,1310,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.313,0.161,0.58","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"136-60-7"}
{"Compound":"C.i. basic red 9 monohydrochloride","CAS":"569-61-9","CAS.Checksum":true,"DTXSID":"DTXSID1021247","Formula":"C19H18ClN3","All.Compound.Names":"C.i. basic red 9 monohydrochloride|Dtxsid1021247|569-61-9","logHenry":-9.634,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8487,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.12,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.979,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.1,"MP.Reference":"EPA-CCD-OPERA","MW":323.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.23,0.661,6.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.235,0.0775,0.389","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"569-61-9"}
{"Compound":"C.i. disperse orange 37","CAS":"13301-61-6","CAS.Checksum":true,"DTXSID":"DTXSID9044538","Formula":"C17H15Cl2N5O2","All.Compound.Names":"C.i. disperse orange 37|Dtxsid9044538|13301-61-6","logHenry":-5.753,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.178,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.574,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.277,"logWSol.Reference":"EPA-CCD-OPERA","MP":167,"MP.Reference":"EPA-CCD-OPERA","MW":392.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.997","Human.Clint.pValue":0.9972,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00145,0.000462,0.00894","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"13301-61-6"}
{"Compound":"C.i. solvent orange 7","CAS":"3118-97-6","CAS.Checksum":true,"DTXSID":"DTXSID5040706","Formula":"C18H16N2O","All.Compound.Names":"C.i. solvent orange 7|Dtxsid5040706|3118-97-6","logHenry":-6.368,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.442,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.873,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.9,"MP.Reference":"EPA-CCD-OPERA","MW":276.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.54","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"9.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.9991,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"2.63e-08,1.95e-13,0.00544","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"3118-97-6"}
{"Compound":"C.i. solvent red 49","CAS":"509-34-2","CAS.Checksum":true,"DTXSID":"DTXSID3041744","Formula":"C28H30N2O3","All.Compound.Names":"C.i. solvent red 49|509-34-2","logHenry":-7,"logHenry.Reference":"OPERA29","logP":4.22,"logP.Reference":"OPERA29","logWSol":-5.4,"logWSol.Reference":"OPERA29","MP":166.6,"MP.Reference":"EPA-CCD-OPERA","MW":442.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"13.9,5.32,20.9,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0456,0.0402,0.0543","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"509-34-2"}
{"Compound":"C.i. solvent yellow 14","CAS":"842-07-9","CAS.Checksum":true,"DTXSID":"DTXSID4021135","Formula":"C16H12N2O","All.Compound.Names":"C.i. solvent yellow 14|Dtxsid4021135|842-07-9","logHenry":-6.157,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.866,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.159,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.557,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.1,"MP.Reference":"EPA-CCD-OPERA","MW":248.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.999,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00277,0.000778,0.0135","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"842-07-9"}
{"Compound":"C8-18-alkydimethylbenzyl ammonium chlorides","CAS":"63449-41-2","CAS.Checksum":true,"DTXSID":"DTXSID1048122","All.Compound.Names":"C8-18-alkydimethylbenzyl ammonium chlorides|Benzyl-c8-18-alkyldimethylammonium chlorides","logP":3.16,"logP.Reference":"Wambaugh 2019","MW":276.3,"MW.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Human.Clint":"63.1,53.7,69,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0104,0.00444,0.0313","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"63449-41-2"}
{"Compound":"Captafol","CAS":"2425-06-1","CAS.Checksum":true,"DTXSID":"DTXSID4020242","Formula":"C10H9Cl4NO2S","All.Compound.Names":"Captafol|Dtxsid4020242|2425-06-1","logHenry":-5.377,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.799,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.462,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.389,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.5,"MP.Reference":"EPA-CCD-OPERA","MW":349,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,1270,0.518","Human.Clint.pValue":0.5184,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2425-06-1"}
{"Compound":"Carabersat","CAS":"184653-84-7","CAS.Checksum":true,"DTXSID":"DTXSID6047319","Formula":"C20H20FNO4","All.Compound.Names":"Carabersat|Dtxsid6047319|184653-84-7","logHenry":-10.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.204,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.249,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.207,"logWSol.Reference":"EPA-CCD-OPERA","MP":223.4,"MP.Reference":"EPA-CCD-OPERA","MW":357.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"21.3,11.8,38.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.996","Human.Clint.pValue":0.9962,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.187,0.162,0.225","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"184653-84-7"}
{"Compound":"Carfentrazone-ethyl","CAS":"128639-02-1","CAS.Checksum":true,"DTXSID":"DTXSID4032532","Formula":"C15H14Cl2F3N3O3","All.Compound.Names":"Carfentrazone-ethyl|Dtxsid4032532|128639-02-1","logHenry":-8.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.361,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.282,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.27,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.98,"MP.Reference":"EPA-CCD-OPERA","MW":412.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"854,232,1310,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"128639-02-1"}
{"Compound":"Cariporide mesylate","CAS":"159138-81-5","CAS.Checksum":true,"DTXSID":"DTXSID3047344","Formula":"C13H21N3O6S2","All.Compound.Names":"Cariporide mesylate|Dtxsid3047344|159138-81-5","logHenry":-10.11,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5727,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.54,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.539,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.4,"MP.Reference":"EPA-CCD-OPERA","MW":379.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.69","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"8.07,4.49,14.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,1","Human.Clint.pValue":1,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.451,0.397,0.515","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"159138-81-5"}
{"Compound":"Carminic acid","CAS":"1260-17-9","CAS.Checksum":true,"DTXSID":"DTXSID9022817","Formula":"C22H20O13","All.Compound.Names":"Carminic acid|Dtxsid9022817|1260-17-9","logHenry":-10.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.573,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.015,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.578,"logWSol.Reference":"EPA-CCD-OPERA","MP":180,"MP.Reference":"EPA-CCD-OPERA","MW":492.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.61","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.0191,0.00471,0.0774","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"88.8,5.19,1200,0.0215","Human.Clint.pValue":0.02146,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"3.85e-08,1.75e-13,0.00795","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1260-17-9"}
{"Compound":"Catechol","CAS":"120-80-9","CAS.Checksum":true,"DTXSID":"DTXSID3020257","Formula":"C6H6O2","All.Compound.Names":"Catechol|1,?2-?benzenediol|Dtxsid3020257|120-80-9","logHenry":-6.771,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8794,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.705,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6169,"logWSol.Reference":"EPA-CCD-OPERA","MP":105,"MP.Reference":"EPA-CCD-OPERA","MW":110.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"42.3,11.9,72.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0268,3.91e-13,0.0648","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"120-80-9"}
{"Compound":"Chloramben","CAS":"133-90-4","CAS.Checksum":true,"DTXSID":"DTXSID2020262","Formula":"C7H5Cl2NO2","All.Compound.Names":"Chloramben|Dtxsid2020262|133-90-4","logHenry":-8.837,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9117,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.168,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.469,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.2,"MP.Reference":"EPA-CCD-OPERA","MW":206,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.29","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"3.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9997,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"133-90-4"}
{"Compound":"Chlorhexidine diacetate","CAS":"56-95-1","CAS.Checksum":true,"DTXSID":"DTXSID7032345","Formula":"C26H38Cl2N10O4","All.Compound.Names":"Chlorhexidine diacetate|Dtxsid7032345|56-95-1","logHenry":-9.4,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.33,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.266,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.8,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.5,"MP.Reference":"EPA-CCD-OPERA","MW":625.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.997","Human.Clint.pValue":0.9974,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00236,0.000639,0.0105","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"56-95-1"}
{"Compound":"Chlorobenzilate","CAS":"510-15-6","CAS.Checksum":true,"DTXSID":"DTXSID9020299","Formula":"C16H14Cl2O3","All.Compound.Names":"Chlorobenzilate|Dtxsid9020299|510-15-6","logHenry":-9.315,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.737,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.966,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.454,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.26,"MP.Reference":"EPA-CCD-OPERA","MW":325.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"477,58.7,1270,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"510-15-6"}
{"Compound":"Chlorophacinone","CAS":"3691-35-8","CAS.Checksum":true,"DTXSID":"DTXSID2032348","Formula":"C23H15ClO3","All.Compound.Names":"Chlorophacinone|Dtxsid2032348","logHenry":-7.679,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.064,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.627,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.022,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.1,"MP.Reference":"EPA-CCD-OPERA","MW":374.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.12","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.22,0.678,2.19","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9997,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"2.44e-08,1.78e-13,0.00463","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"3691-35-8"}
{"Compound":"Chlorothalonil","CAS":"1897-45-6","CAS.Checksum":true,"DTXSID":"DTXSID0020319","Formula":"C8Cl4N2","All.Compound.Names":"Chlorothalonil|Dtxsid0020319","logHenry":-5.697,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.976,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.517,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.618,"logWSol.Reference":"EPA-CCD-OPERA","MP":249.9,"MP.Reference":"EPA-CCD-OPERA","MW":265.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,132,0.933","Human.Clint.pValue":0.9325,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.378,0.0405,0.461","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1897-45-6"}
{"Compound":"Chlorotrianisene","CAS":"569-57-3","CAS.Checksum":true,"DTXSID":"DTXSID1021299","Formula":"C23H21ClO3","All.Compound.Names":"Chlorotrianisene|Dtxsid1021299","logHenry":-8.347,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.725,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.983,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.136,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.9,"MP.Reference":"EPA-CCD-OPERA","MW":380.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.979","Human.Clint.pValue":0.9789,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"7.84e-07,2.04e-13,0.0113","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"569-57-3"}
{"Compound":"Chlorpromazine hydrochloride","CAS":"69-09-0","CAS.Checksum":true,"DTXSID":"DTXSID7024827","Formula":"C17H20Cl2N2S","All.Compound.Names":"Chlorpromazine hydrochloride|Dtxsid7024827|69-09-0","logHenry":-8.057,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.32,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.587,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.154,"logWSol.Reference":"EPA-CCD-OPERA","MP":195,"MP.Reference":"EPA-CCD-OPERA","MW":355.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"24.7,13.7,44.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"5.43,0,9.65,0.0776","Human.Clint.pValue":0.07764,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0235,0.0177,0.0368","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"69-09-0"}
{"Compound":"Chlorpyrifos oxon","CAS":"5598-15-2","CAS.Checksum":true,"DTXSID":"DTXSID1038666","Formula":"C9H11Cl3NO4P","All.Compound.Names":"Chlorpyrifos oxon|Dtxsid1038666|5598-15-2","logHenry":-6.428,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.199,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.261,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.646,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.57,"MP.Reference":"EPA-CCD-OPERA","MW":334.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"43.3,38.6,46.8,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"5598-15-2"}
{"Compound":"Chrysin","CAS":"480-40-0","CAS.Checksum":true,"DTXSID":"DTXSID1022396","Formula":"C15H10O4","All.Compound.Names":"Chrysin|Dtxsid1022396|480-40-0","logHenry":-10.28,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.519,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.603,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.403,"logWSol.Reference":"EPA-CCD-OPERA","MP":285.5,"MP.Reference":"EPA-CCD-OPERA","MW":254.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"79.4,44.1,143","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"204,143,244,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00263,3.35e-13,0.0204","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"480-40-0"}
{"Compound":"Ci-1044","CAS":"NOCAS_47291","CAS.Checksum":false,"DTXSID":"DTXSID5047291","Formula":"C23H19N5O2","All.Compound.Names":"Ci-1044|Dtxsid5047291|NOCAS_47291","logHenry":-9.888,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.299,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.365,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.623,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.4,"MP.Reference":"EPA-CCD-OPERA","MW":397.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.52","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"21,11.7,37.7","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Funbound.plasma":"0.198,0.161,0.247","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"NOCAS_47291"}
{"Compound":"Clofibrate","CAS":"637-07-0","CAS.Checksum":true,"DTXSID":"DTXSID3020336","Formula":"C12H15ClO3","All.Compound.Names":"Clofibrate|637-07-0|Dtxsid3020336","logHenry":-6.881,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.456,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.801,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.722,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.9,"MP.Reference":"EPA-CCD-OPERA","MW":242.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"868,251,1310,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.95,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"7.42e-08,1.99e-13,0.0147","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"637-07-0"}
{"Compound":"Clomipramine hydrochloride","CAS":"17321-77-6","CAS.Checksum":true,"DTXSID":"DTXSID3042633","Formula":"C19H24Cl2N2","All.Compound.Names":"Clomipramine hydrochloride|Dtxsid3042633|17321-77-6","logHenry":-7.731,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.822,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.776,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.278,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.7,"MP.Reference":"EPA-CCD-OPERA","MW":351.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.977","Human.Clint.pValue":0.9771,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.041,0.0317,0.0526","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"17321-77-6"}
{"Compound":"Cloquintocet-mexyl","CAS":"99607-70-2","CAS.Checksum":true,"DTXSID":"DTXSID3041794","Formula":"C18H22ClNO3","All.Compound.Names":"Cloquintocet-mexyl|Dtxsid3041794|99607-70-2","logHenry":-6.899,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.028,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.805,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.75,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.43,"MP.Reference":"EPA-CCD-OPERA","MW":335.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.03","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"9.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.0028,1.58e-11,0.0154","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"99607-70-2"}
{"Compound":"Clotrimazole","CAS":"23593-75-1","CAS.Checksum":true,"DTXSID":"DTXSID7029871","Formula":"C22H17ClN2","All.Compound.Names":"Clotrimazole|23593-75-1|Dtxsid7029871","logHenry":-6.479,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.8,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.94,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.332,"logWSol.Reference":"EPA-CCD-OPERA","MP":148,"MP.Reference":"EPA-CCD-OPERA","MW":344.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"77.1,50.6,94.9,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.00953,0.00789,0.0149","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"23593-75-1"}
{"Compound":"Corticosterone","CAS":"50-22-6","CAS.Checksum":true,"DTXSID":"DTXSID6022474","Formula":"C21H30O4","All.Compound.Names":"Corticosterone|Dtxsid6022474|50-22-6","logHenry":-10.99,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.942,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.44,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.242,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.2,"MP.Reference":"EPA-CCD-OPERA","MW":346.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"26.2,14.6,47.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"12.1,4.6,16.8,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.137,0.11,0.177","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"50-22-6"}
{"Compound":"Cp-544439","CAS":"230954-09-3","CAS.Checksum":true,"DTXSID":"DTXSID8047266","Formula":"C18H19FN2O6S","All.Compound.Names":"Cp-544439|Dtxsid8047266|230954-09-3","logHenry":-10.97,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.383,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.943,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.281,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.1,"MP.Reference":"EPA-CCD-OPERA","MW":410.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.27,0.886,3.95,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.145,0.0992,0.228","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"230954-09-3"}
{"Compound":"Cp-634384","CAS":"290352-28-2","CAS.Checksum":true,"DTXSID":"DTXSID7047306","Formula":"C19H19NO5","All.Compound.Names":"Cp-634384|Dtxsid7047306|290352-28-2","logHenry":-9.256,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.337,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.004,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.062,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.5,"MP.Reference":"EPA-CCD-OPERA","MW":341.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,4.52,0.963","Human.Clint.pValue":0.9631,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0126,0.0064,0.0286","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"290352-28-2"}
{"Compound":"Cp-671305","CAS":"445295-04-5","CAS.Checksum":true,"DTXSID":"DTXSID6047282","Formula":"C23H19FN2O7","All.Compound.Names":"Cp-671305|Dtxsid6047282|445295-04-5","logHenry":-10.5,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.118,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.52,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.004,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.9,"MP.Reference":"EPA-CCD-OPERA","MW":454.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.71","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"3.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.984","Human.Clint.pValue":0.9841,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0414,0.0251,0.0749","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"445295-04-5"}
{"Compound":"Curcumin","CAS":"458-37-7","CAS.Checksum":true,"DTXSID":"DTXSID8031077","Formula":"C21H20O6","All.Compound.Names":"Curcumin|Dtxsid8031077|458-37-7","logHenry":-9.289,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.597,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.913,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.426,"logWSol.Reference":"EPA-CCD-OPERA","MP":183,"MP.Reference":"EPA-CCD-OPERA","MW":368.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"297,108,1220,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"4.14e-08,1.76e-13,0.0098","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"458-37-7"}
{"Compound":"Cyazofamid","CAS":"120116-88-3","CAS.Checksum":true,"DTXSID":"DTXSID9034492","Formula":"C13H13ClN4O2S","All.Compound.Names":"Cyazofamid|4-chloro-2-cyano-n,n-dimethyl-5-(4-methylphenyl)-1h-imidazole-1-sulfonamide|Dtxsid9034492|120116-88-3","logHenry":-6.422,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.848,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.901,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.445,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.2,"MP.Reference":"EPA-CCD-OPERA","MW":324.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10,4.76,25.9,0.00076","Human.Clint.pValue":0.00076,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.051,0.0306,0.112","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"120116-88-3"}
{"Compound":"Cyclopamine","CAS":"4449-51-8","CAS.Checksum":true,"DTXSID":"DTXSID6043709","Formula":"C27H41NO2","All.Compound.Names":"Cyclopamine|Dtxsid6043709|4449-51-8","logHenry":-7.741,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.248,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.295,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.523,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.4,"MP.Reference":"EPA-CCD-OPERA","MW":411.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"24.2,13.5,43.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"29.4,22.4,33.2,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0741,0.0623,0.0939","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"4449-51-8"}
{"Compound":"Cyclophosphamide monohydrate","CAS":"6055-19-2","CAS.Checksum":true,"DTXSID":"DTXSID6024888","Formula":"C7H17Cl2N2O3P","All.Compound.Names":"Cyclophosphamide monohydrate|Dtxsid6024888|6055-19-2","logHenry":-5.984,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.304,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.219,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8172,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.02,"MP.Reference":"EPA-CCD-OPERA","MW":279.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9998,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.772,0.571,0.985","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"6055-19-2"}
{"Compound":"Cymoxanil","CAS":"57966-95-7","CAS.Checksum":true,"DTXSID":"DTXSID6032358","Formula":"C7H10N4O3","All.Compound.Names":"Cymoxanil|Dtxsid6032358|57966-95-7","logHenry":-10.28,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5879,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.594,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.362,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.5,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.92","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"32.8,3.08,656,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.437,0.403,0.503","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"57966-95-7"}
{"Compound":"Cyproterone acetate","CAS":"427-51-0","CAS.Checksum":true,"DTXSID":"DTXSID5020366","Formula":"C24H29ClO4","All.Compound.Names":"Cyproterone acetate|Dtxsid5020366","logHenry":-7.43,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.409,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.292,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.148,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.9,"MP.Reference":"EPA-CCD-OPERA","MW":416.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"13.6,7.57,24.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"4.46,1.92,7.16,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0584,0.0367,0.1","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"427-51-0"}
{"Compound":"Cytarabine hydrochloride","CAS":"69-74-9","CAS.Checksum":true,"DTXSID":"DTXSID5024891","Formula":"C9H14ClN3O5","All.Compound.Names":"Cytarabine hydrochloride|Dtxsid5024891|69-74-9","logHenry":-9.873,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.084,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.46,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.357,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.5,"MP.Reference":"EPA-CCD-OPERA","MW":279.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.93","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.55,13.93,14.79","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"16.8,6.8,34.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.96,0.769,0.989","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"69-74-9"}
{"Compound":"Decamethylcyclopentasiloxane","CAS":"541-02-6","CAS.Checksum":true,"DTXSID":"DTXSID1027184","Formula":"C10H30O5Si5","All.Compound.Names":"Decamethylcyclopentasiloxane|Dtxsid1027184","logHenry":1.518,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.03,"logP.Reference":"EPA-CCD-OPERA","logPwa":-3.056,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.339,"logWSol.Reference":"EPA-CCD-OPERA","MP":-37.98,"MP.Reference":"EPA-CCD-OPERA","MW":370.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9995,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"541-02-6"}
{"Compound":"Deethylatrazine","CAS":"6190-65-4","CAS.Checksum":true,"DTXSID":"DTXSID5037494","Formula":"C6H10ClN5","All.Compound.Names":"Deethylatrazine|S-chloroaminoisopropylaminotriazine|Dtxsid5037494|Desethyl atrazine|6190-65-4","logHenry":-7.729,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.511,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.652,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.243,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.1,"MP.Reference":"EPA-CCD-OPERA","MW":187.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.38","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"6.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,1250,0.612","Human.Clint.pValue":0.6115,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.486,0.44,0.56","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"6190-65-4"}
{"Compound":"Dexamethasone sodium phosphate","CAS":"2392-39-4","CAS.Checksum":true,"DTXSID":"DTXSID3047429","Formula":"C22H28FNa2O8P","All.Compound.Names":"Dexamethasone sodium phosphate|Dtxsid3047429|2392-39-4","logHenry":-10.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9792,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.47,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9128,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.7,"MP.Reference":"EPA-CCD-OPERA","MW":516.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.85","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9.63,3.45,14.1,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0956,0.0581,0.165","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2392-39-4"}
{"Compound":"Dibutyl decanedioate","CAS":"109-43-3","CAS.Checksum":true,"DTXSID":"DTXSID1041847","Formula":"C18H34O4","All.Compound.Names":"Dibutyl decanedioate|Dtxsid1041847","logHenry":-6.62,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.972,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.799,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.9,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.22,"MP.Reference":"EPA-CCD-OPERA","MW":314.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"134,115,206,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"7.05e-08,1.88e-13,0.0219","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"109-43-3"}
{"Compound":"Dichlorophen","CAS":"97-23-4","CAS.Checksum":true,"DTXSID":"DTXSID6021824","Formula":"C13H10Cl2O2","All.Compound.Names":"Dichlorophen|Dtxsid6021824|97-23-4","logHenry":-8.832,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.258,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.828,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.951,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.5,"MP.Reference":"EPA-CCD-OPERA","MW":269.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"13.2,4.23,54.4,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0045,0.00361,0.00852","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"97-23-4"}
{"Compound":"Dichlorvos","CAS":"62-73-7","CAS.Checksum":true,"DTXSID":"DTXSID5020449","Formula":"C4H7Cl2O4P","All.Compound.Names":"Dichlorvos|Dtxsid5020449","logHenry":-8.391,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.429,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.643,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.309,"logWSol.Reference":"EPA-CCD-OPERA","MP":-59.89,"MP.Reference":"EPA-CCD-OPERA","MW":221,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"86.4,12.2,1180,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"1.18e-07,1.89e-13,0.0419","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"62-73-7"}
{"Compound":"Diethylene glycol dibenzoate","CAS":"120-55-8","CAS.Checksum":true,"DTXSID":"DTXSID0026967","Formula":"C18H18O5","All.Compound.Names":"Diethylene glycol dibenzoate|Dtxsid0026967","logHenry":-7.928,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.719,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.466,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.909,"logWSol.Reference":"EPA-CCD-OPERA","MP":33.81,"MP.Reference":"EPA-CCD-OPERA","MW":314.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"843,210,1310,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"120-55-8"}
{"Compound":"Diflubenzuron","CAS":"35367-38-5","CAS.Checksum":true,"DTXSID":"DTXSID1024049","Formula":"C14H9ClF2N2O2","All.Compound.Names":"Diflubenzuron|Dtxsid1024049|35367-38-5","logHenry":-10.1,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.877,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.521,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.396,"logWSol.Reference":"EPA-CCD-OPERA","MP":239,"MP.Reference":"EPA-CCD-OPERA","MW":310.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.995","Human.Clint.pValue":0.9952,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0308,0.0187,0.0528","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"35367-38-5"}
{"Compound":"Dihexyl phthalate","CAS":"84-75-3","CAS.Checksum":true,"DTXSID":"DTXSID6025068","Formula":"C20H30O4","All.Compound.Names":"Dihexyl phthalate|Dtxsid6025068","logHenry":-6.689,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.815,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.896,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.48,"logWSol.Reference":"EPA-CCD-OPERA","MP":-57.74,"MP.Reference":"EPA-CCD-OPERA","MW":334.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"27.7,15.7,108,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"2.71e-06,2.27e-13,0.976","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"84-75-3"}
{"Compound":"Diisobutyl adipate","CAS":"141-04-8","CAS.Checksum":true,"DTXSID":"DTXSID9036690","Formula":"C14H26O4","All.Compound.Names":"Diisobutyl adipate|Dtxsid9036690","logHenry":-7.015,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.923,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.495,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.059,"logWSol.Reference":"EPA-CCD-OPERA","MP":-19.87,"MP.Reference":"EPA-CCD-OPERA","MW":258.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"865,198,1310,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"141-04-8"}
{"Compound":"Diisobutyl phthalate","CAS":"84-69-5","CAS.Checksum":true,"DTXSID":"DTXSID9022522","Formula":"C16H22O4","All.Compound.Names":"Diisobutyl phthalate|Dtxsid9022522","logHenry":-6.503,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.112,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.096,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.653,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.48,"MP.Reference":"EPA-CCD-OPERA","MW":278.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"345,205,454,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.000435,2.63e-13,0.134","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"84-69-5"}
{"Compound":"Dimethipin","CAS":"55290-64-7","CAS.Checksum":true,"DTXSID":"DTXSID0024052","Formula":"C6H10O4S2","All.Compound.Names":"Dimethipin|Dtxsid0024052","logHenry":-9.631,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1676,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.902,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.793,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.9,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.937,0.659,0.988","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"55290-64-7"}
{"Compound":"Dimethoxane","CAS":"828-00-2","CAS.Checksum":true,"DTXSID":"DTXSID6020480","Formula":"C8H14O4","All.Compound.Names":"Dimethoxane|Dtxsid6020480","logHenry":-4.783,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.298,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.025,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7447,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.819,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"863,257,1310,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"828-00-2"}
{"Compound":"Dipentyl phthalate","CAS":"131-18-0","CAS.Checksum":true,"DTXSID":"DTXSID5031131","Formula":"C18H26O4","All.Compound.Names":"Dipentyl phthalate|Dtxsid5031131","logHenry":-7.052,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.616,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.783,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.544,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.15,"MP.Reference":"EPA-CCD-OPERA","MW":306.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"301,109,1240,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0986,0.0278,0.222","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"131-18-0"}
{"Compound":"Diphenamid","CAS":"957-51-7","CAS.Checksum":true,"DTXSID":"DTXSID8024072","Formula":"C16H17NO","All.Compound.Names":"Diphenamid|Dtxsid8024072|957-51-7","logHenry":-8.045,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.808,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.063,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.971,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.7,"MP.Reference":"EPA-CCD-OPERA","MW":239.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.988","Human.Clint.pValue":0.9876,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.301,0.218,0.414","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"957-51-7"}
{"Compound":"Diphenolic acid","CAS":"126-00-1","CAS.Checksum":true,"DTXSID":"DTXSID0022436","Formula":"C17H18O4","All.Compound.Names":"Diphenolic acid|4,4-bis(4-hydroxyphenyl)valeric acid|Dtxsid0022436|126-00-1","logHenry":-9.51,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.455,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.791,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.084,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.6,"MP.Reference":"EPA-CCD-OPERA","MW":286.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.33,0.74,2.39","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,1.38,0.971","Human.Clint.pValue":0.971,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.163,0.12,0.229","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"126-00-1"}
{"Compound":"Diphenyl phthalate","CAS":"84-62-8","CAS.Checksum":true,"DTXSID":"DTXSID3021778","Formula":"C20H14O4","All.Compound.Names":"Diphenyl phthalate|Dtxsid3021778","logHenry":-7.908,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.601,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.32,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.585,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.09,"MP.Reference":"EPA-CCD-OPERA","MW":318.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"584,373,1300,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"84-62-8"}
{"Compound":"Dipropyl 2,5-pyridinedicarboxylate","CAS":"136-45-8","CAS.Checksum":true,"DTXSID":"DTXSID8032544","Formula":"C13H17NO4","All.Compound.Names":"Dipropyl 2,5-pyridinedicarboxylate|Dipropyl pyridine-2,5-dicarboxylate|Dtxsid8032544|136-45-8","logHenry":-7.114,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.565,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.236,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.558,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.8,"MP.Reference":"EPA-CCD-OPERA","MW":251.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"592,236,948,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.865,0.494,0.988","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"136-45-8"}
{"Compound":"Dipropyl phthalate","CAS":"131-16-8","CAS.Checksum":true,"DTXSID":"DTXSID5031133","Formula":"C14H18O4","All.Compound.Names":"Dipropyl phthalate|Di-n-propylphthalate|Dtxsid5031133","logHenry":-6.953,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.269,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.112,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.362,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.1686,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"858,254,1310,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"131-16-8"}
{"Compound":"Diquat dibromide monohydrate","CAS":"6385-62-2","CAS.Checksum":true,"DTXSID":"DTXSID7031248","Formula":"C12H14Br2N2O","All.Compound.Names":"Diquat dibromide monohydrate|Dtxsid7031248|6385-62-2","logHenry":-3.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.372,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.743,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5493,"logWSol.Reference":"EPA-CCD-OPERA","MP":227.3,"MP.Reference":"EPA-CCD-OPERA","MW":362.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.9992,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.967,0.852,0.989","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"6385-62-2"}
{"Compound":"Disulfiram","CAS":"97-77-8","CAS.Checksum":true,"DTXSID":"DTXSID1021322","Formula":"C10H20N2S4","All.Compound.Names":"Disulfiram|Tetraethyl thiuram disulfide|Tetraethylthiuram disulfide|97-77-8|Dtxsid1021322","logHenry":-7.379,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.877,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.57,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.933,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.57,"MP.Reference":"EPA-CCD-OPERA","MW":296.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"28.46","Human.Clint.Reference":"Paini 2020","Human.Foral":0.8,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.08601,0.05008,0.1219","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"97-77-8"}
{"Compound":"Dl-norgestrel","CAS":"6533-00-2","CAS.Checksum":true,"DTXSID":"DTXSID3047477","Formula":"C21H28O2","All.Compound.Names":"Dl-norgestrel|6533-00-2|Dtxsid3047477","logHenry":-8.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.067,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.08,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.255,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.7,"MP.Reference":"EPA-CCD-OPERA","MW":312.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"31.5,17.5,56.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"11,2.58,16.4,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.94,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.0392,0.0227,0.0762","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"6533-00-2"}
{"Compound":"Docusate sodium","CAS":"577-11-7","CAS.Checksum":true,"DTXSID":"DTXSID8022959","Formula":"C20H37NaO7S","All.Compound.Names":"Docusate sodium|Dtxsid8022959|577-11-7","logHenry":-8.18,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.211,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.251,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.353,"logWSol.Reference":"EPA-CCD-OPERA","MP":176,"MP.Reference":"EPA-CCD-OPERA","MW":444.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"49.8,39.6,57.7,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"577-11-7"}
{"Compound":"Dodecyltrimethylammonium chloride","CAS":"112-00-5","CAS.Checksum":true,"DTXSID":"DTXSID1026900","Formula":"C15H34ClN","All.Compound.Names":"Dodecyltrimethylammonium chloride|Dtxsid1026900|112-00-5","logHenry":-2.894,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.922,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.826,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.911,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.3,"MP.Reference":"EPA-CCD-OPERA","MW":263.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"16.2,10,21.1,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0364,0.0267,0.0455","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"112-00-5"}
{"Compound":"E-cinnamic acid","CAS":"140-10-3","CAS.Checksum":true,"DTXSID":"DTXSID5022489","Formula":"C9H8O2","All.Compound.Names":"E-cinnamic acid|Cinnamic acid|Dtxsid5022489|140-10-3","logHenry":-7.512,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.128,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.504,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.439,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.8,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.0499,0.0433,0.0596","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"140-10-3"}
{"Compound":"Econazole nitrate","CAS":"24169-02-6","CAS.Checksum":true,"DTXSID":"DTXSID6025226","Formula":"C18H16Cl3N3O4","All.Compound.Names":"Econazole nitrate|Dtxsid6025226|24169-02-6","logHenry":-5.577,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.082,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.65,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.033,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.5,"MP.Reference":"EPA-CCD-OPERA","MW":444.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6.02,0.671,16.6,0.00192","Human.Clint.pValue":0.00192,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00553,0.00227,0.0196","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"24169-02-6"}
{"Compound":"Elzasonan","CAS":"361343-19-3","CAS.Checksum":true,"DTXSID":"DTXSID7047277","Formula":"C22H23Cl2N3OS","All.Compound.Names":"Elzasonan|Dtxsid7047277|361343-19-3","logHenry":-8.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.692,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.986,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.063,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.4,"MP.Reference":"EPA-CCD-OPERA","MW":448.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.78","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"6.89,3.83,12.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"21.1,16.9,26.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0329,0.018,0.0617","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"361343-19-3"}
{"Compound":"Enadoline","CAS":"124378-77-4","CAS.Checksum":true,"DTXSID":"DTXSID4047258","Formula":"C24H32N2O3","All.Compound.Names":"Enadoline|Dtxsid4047258|124378-77-4","logHenry":-7.459,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.894,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.796,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.21,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.1,"MP.Reference":"EPA-CCD-OPERA","MW":396.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"29,16.1,52.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"3.36,0.887,5.9,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.263,0.175,0.399","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"124378-77-4"}
{"Compound":"Enterolactone","CAS":"78473-71-9","CAS.Checksum":true,"DTXSID":"DTXSID0048183","Formula":"C18H18O4","All.Compound.Names":"Enterolactone|Dtxsid0048183|78473-71-9","logHenry":-7.19,"logHenry.Reference":"OPERA29","logP":2.8,"logP.Reference":"OPERA29","logPwa":6.548,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.96,"logWSol.Reference":"OPERA29","MP":226,"MP.Reference":"OPERA29","MW":298.1,"MW.Reference":"OPERA29","pKa_Donor":"9.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"OPERA29","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"30.7,17.1,55.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"139,99.4,164,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0121,3.27e-13,0.135","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"78473-71-9"}
{"Compound":"Eosin","CAS":"17372-87-1","CAS.Checksum":true,"DTXSID":"DTXSID0025234","Formula":"C20H6Br4Na2O5","All.Compound.Names":"Eosin","logHenry":-4.583,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.27,"logP.Reference":"OPERA29","logWSol":-4.28,"logWSol.Reference":"OPERA29","MP":254.5,"MP.Reference":"EPA-CCD-OPERA","MW":691.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.98","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"3.39,4.01","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.9991,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0524,0.0232,0.105","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"17372-87-1"}
{"Compound":"Epoxiconazole","CAS":"133855-98-8","CAS.Checksum":true,"DTXSID":"DTXSID1040372","Formula":"C17H13ClFN3O","All.Compound.Names":"Epoxiconazole|Dtxsid1040372|133855-98-8","logHenry":-8.93,"logHenry.Reference":"OPERA29","logP":3.44,"logP.Reference":"OPERA29","logWSol":-4.99,"logWSol.Reference":"OPERA29","MP":151,"MP.Reference":"OPERA29","MW":329.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.995","Human.Clint.pValue":0.995,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0575,0.0431,0.0841","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"133855-98-8"}
{"Compound":"Equilin","CAS":"474-86-2","CAS.Checksum":true,"DTXSID":"DTXSID7047433","Formula":"C18H20O2","All.Compound.Names":"Equilin|Dtxsid7047433|474-86-2","logHenry":-7.168,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.531,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.652,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.277,"logWSol.Reference":"EPA-CCD-OPERA","MP":239,"MP.Reference":"EPA-CCD-OPERA","MW":268.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"40.6,22.6,72.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"9.74,0,15.4,0.048","Human.Clint.pValue":0.04796,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0583,0.0477,0.0781","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"474-86-2"}
{"Compound":"Exifone","CAS":"52479-85-3","CAS.Checksum":true,"DTXSID":"DTXSID9044950","Formula":"C13H10O7","All.Compound.Names":"Exifone|Dtxsid9044950|52479-85-3","logHenry":-10.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.158,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.359,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.817,"logWSol.Reference":"EPA-CCD-OPERA","MP":270,"MP.Reference":"EPA-CCD-OPERA","MW":278.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"28.1,12.6,39.8,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"1.93e-08,1.69e-13,0.0027","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"52479-85-3"}
{"Compound":"Fabesetron hydrochloride","CAS":"129299-90-7","CAS.Checksum":true,"DTXSID":"DTXSID7048168","Formula":"C18H20ClN3O","All.Compound.Names":"Fabesetron hydrochloride|Dtxsid7048168|129299-90-7","logHenry":-9.633,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4345,"logP.Reference":"EPA-CCD-OPERA","logPwa":10,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.695,"logWSol.Reference":"EPA-CCD-OPERA","MP":174,"MP.Reference":"EPA-CCD-OPERA","MW":329.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.3","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.51","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7.56,2.33,9.95,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0309,0.0251,0.0402","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"129299-90-7"}
{"Compound":"Famoxadone","CAS":"131807-57-3","CAS.Checksum":true,"DTXSID":"DTXSID8034588","Formula":"C22H18N2O4","All.Compound.Names":"Famoxadone|Dtxsid8034588|131807-57-3","logHenry":-8.665,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.649,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.611,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.693,"logWSol.Reference":"EPA-CCD-OPERA","MP":141,"MP.Reference":"EPA-CCD-OPERA","MW":374.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.12","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.26","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"16.4,8.22,21.7,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0097,0.00392,0.0269","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"131807-57-3"}
{"Compound":"Fd&c green no. 3","CAS":"2353-45-9","CAS.Checksum":true,"DTXSID":"DTXSID3020673","Formula":"C37H34N2Na2O10S3","All.Compound.Names":"Fd&c green no. 3|Dtxsid3020673|2353-45-9","logHenry":-9.08,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.633,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.932,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5416,"logWSol.Reference":"EPA-CCD-OPERA","MP":224.8,"MP.Reference":"EPA-CCD-OPERA","MW":808.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.50","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"5.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.9991,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0151,0.0116,0.0203","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2353-45-9"}
{"Compound":"Fd&c yellow 6","CAS":"2783-94-0","CAS.Checksum":true,"DTXSID":"DTXSID6021456","Formula":"C16H10N2Na2O7S2","All.Compound.Names":"Fd&c yellow 6|Dtxsid6021456|2783-94-0","logHenry":-8.894,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.779,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.558,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.587,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.1,"MP.Reference":"EPA-CCD-OPERA","MW":452.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"18.9,2.71,56.7,0.0187","Human.Clint.pValue":0.01874,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"1.38e-07,1.84e-13,0.766","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2783-94-0"}
{"Compound":"Fenofibrate","CAS":"49562-28-9","CAS.Checksum":true,"DTXSID":"DTXSID2029874","Formula":"C20H21ClO4","All.Compound.Names":"Fenofibrate|Dtxsid2029874","logHenry":-8.355,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.943,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.521,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.478,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.74,"MP.Reference":"EPA-CCD-OPERA","MW":360.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"563,254,1270,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00815,0.00064,0.0179","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"49562-28-9"}
{"Compound":"Fenoxaprop-(2s)-ethyl","CAS":"113776-20-8","CAS.Checksum":true,"DTXSID":"DTXSID0040755","Formula":"C18H16ClNO5","All.Compound.Names":"Fenoxaprop-(2s)-ethyl|Dtxsid0040755|113776-20-8","logHenry":-6.846,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.579,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.951,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.608,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.17,"MP.Reference":"EPA-CCD-OPERA","MW":361.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"723,443,1320,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00537,0.00118,0.0112","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"113776-20-8"}
{"Compound":"Fenoxaprop-p-ethyl","CAS":"71283-80-2","CAS.Checksum":true,"DTXSID":"DTXSID2034598","Formula":"C18H16ClNO5","All.Compound.Names":"Fenoxaprop-p-ethyl|Dtxsid2034598|71283-80-2","logHenry":-6.846,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.579,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.951,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.608,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.17,"MP.Reference":"EPA-CCD-OPERA","MW":361.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"519,288,1270,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00635,0.00183,0.0234","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"71283-80-2"}
{"Compound":"Fenuron","CAS":"101-42-8","CAS.Checksum":true,"DTXSID":"DTXSID7037551","Formula":"C9H12N2O","All.Compound.Names":"Fenuron|Dtxsid7037551|101-42-8","logHenry":-8.725,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9813,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.311,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.612,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.5,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"53,29.4,95.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"2.89,1.71,3.66,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.564,0.519,0.646","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"101-42-8"}
{"Compound":"Flufenpyr-ethyl","CAS":"188489-07-8","CAS.Checksum":true,"DTXSID":"DTXSID3034618","Formula":"C16H13ClF4N2O4","All.Compound.Names":"Flufenpyr-ethyl|Dtxsid3034618|188489-07-8","logHenry":-8.801,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.075,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.784,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.77,"MP.Reference":"EPA-CCD-OPERA","MW":408.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"375,328,413,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.769,0.255,0.988","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"188489-07-8"}
{"Compound":"Folpet","CAS":"133-07-3","CAS.Checksum":true,"DTXSID":"DTXSID0021385","Formula":"C9H4Cl3NO2S","All.Compound.Names":"Folpet|Dtxsid0021385|133-07-3","logHenry":-6.924,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.848,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.609,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.565,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.7,"MP.Reference":"EPA-CCD-OPERA","MW":296.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"2.99e-06,2.15e-13,0.974","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"133-07-3"}
{"Compound":"Fomesafen","CAS":"72178-02-0","CAS.Checksum":true,"DTXSID":"DTXSID7024112","Formula":"C15H10ClF3N2O6S","All.Compound.Names":"Fomesafen|Dtxsid7024112|72178-02-0","logHenry":-7.621,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.902,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.74,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.944,"logWSol.Reference":"EPA-CCD-OPERA","MP":220,"MP.Reference":"EPA-CCD-OPERA","MW":438.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.28,0.711,2.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.9986,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.017,0.00684,0.0408","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"72178-02-0"}
{"Compound":"Fr900409","CAS":"138472-01-2","CAS.Checksum":true,"DTXSID":"DTXSID2048167","Formula":"C8H13N3O4","All.Compound.Names":"Fr900409|Fr 409|Dtxsid2048167|138472-01-2","logHenry":-9.112,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1105,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.967,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.071,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.2,"MP.Reference":"EPA-CCD-OPERA","MW":215.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"21.2,12.4,32.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"3.07e-06,2.27e-13,0.971","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"138472-01-2"}
{"Compound":"Geranyl acetate","CAS":"105-87-3","CAS.Checksum":true,"DTXSID":"DTXSID0020654","Formula":"C12H20O2","All.Compound.Names":"Geranyl acetate|Dtxsid0020654","logHenry":-4.168,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.041,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.735,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.549,"logWSol.Reference":"EPA-CCD-OPERA","MP":-53.08,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"823,224,1310,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.192,0.113,0.395","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"105-87-3"}
{"Compound":"Haloxyfop-methyl","CAS":"69806-40-2","CAS.Checksum":true,"DTXSID":"DTXSID6024123","Formula":"C16H13ClF3NO4","All.Compound.Names":"Haloxyfop-methyl|Dtxsid6024123|69806-40-2","logHenry":-7.268,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.07,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.164,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.611,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.01,"MP.Reference":"EPA-CCD-OPERA","MW":375.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"467,257,619,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00819,0.00467,0.0181","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"69806-40-2"}
{"Compound":"Hexachlorocyclopentadiene","CAS":"77-47-4","CAS.Checksum":true,"DTXSID":"DTXSID2020688","Formula":"C5Cl6","All.Compound.Names":"Hexachlorocyclopentadiene|Dtxsid2020688","logHenry":-1.57,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.038,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.868,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.179,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.909,"MP.Reference":"EPA-CCD-OPERA","MW":272.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"6.84,3.8,12.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.995","Human.Clint.pValue":0.9954,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"4.52e-07,1.9e-13,0.0349","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"77-47-4"}
{"Compound":"Hydramethylnon","CAS":"67485-29-4","CAS.Checksum":true,"DTXSID":"DTXSID6023868","Formula":"C25H24F6N4","All.Compound.Names":"Hydramethylnon|Dtxsid6023868|67485-29-4","logHenry":-7.229,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.313,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.005,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.919,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.5,"MP.Reference":"EPA-CCD-OPERA","MW":494.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.56","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.000656,0.000162,0.00266","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"4.38,1.88,6.84,0.00596","Human.Clint.pValue":0.00596,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"1.37e-08,1.62e-13,0.00157","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"67485-29-4"}
{"Compound":"Hydroxyflutamide","CAS":"52806-53-8","CAS.Checksum":true,"DTXSID":"DTXSID8033562","Formula":"C11H11F3N2O4","All.Compound.Names":"Hydroxyflutamide|Dtxsid8033562","logHenry":-7.916,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.455,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7686,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.2,"MP.Reference":"EPA-CCD-OPERA","MW":292.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.79,13.99","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.994","Human.Clint.pValue":0.9937,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.166,0.139,0.208","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"2.93","Rat.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"52806-53-8"}
{"Compound":"Hydroxyprogesterone caproate","CAS":"630-56-8","CAS.Checksum":true,"DTXSID":"DTXSID6043915","Formula":"C27H40O4","All.Compound.Names":"Hydroxyprogesterone caproate|17-((1-oxohexyl)oxy)pregn-4-ene-3,20-dione|Dtxsid6043915","logHenry":-7.38,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.315,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.373,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.481,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.1,"MP.Reference":"EPA-CCD-OPERA","MW":428.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"195,116,256,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0175,0.00899,0.0353","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"630-56-8"}
{"Compound":"Ilepatril","CAS":"473289-62-2","CAS.Checksum":true,"DTXSID":"DTXSID7047356","Formula":"C22H28N2O5S","All.Compound.Names":"Ilepatril|Dtxsid7047356|473289-62-2","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.475,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.17,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.589,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.1,"MP.Reference":"EPA-CCD-OPERA","MW":432.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.0344,0.00849,0.139","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"5.55,1.73,11.1,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.319,0.181,0.487","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"473289-62-2"}
{"Compound":"Ingliforib","CAS":"186392-65-4","CAS.Checksum":true,"DTXSID":"DTXSID4047252","Formula":"C23H24ClN3O5","All.Compound.Names":"Ingliforib|Dtxsid4047252|186392-65-4","logHenry":-10.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4186,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.089,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.146,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.7,"MP.Reference":"EPA-CCD-OPERA","MW":457.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.2","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.63,0.156,2.55","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"2.09,0.519,3.2,0.0234","Human.Clint.pValue":0.02342,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0234,0.0133,0.0435","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"186392-65-4"}
{"Compound":"Ipconazole","CAS":"125225-28-7","CAS.Checksum":true,"DTXSID":"DTXSID7034674","Formula":"C18H24ClN3O","All.Compound.Names":"Ipconazole|Dtxsid7034674|125225-28-7","logHenry":-7.25,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.208,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.778,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.677,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.18,"MP.Reference":"EPA-CCD-OPERA","MW":333.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.27","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"9.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"101,92,114,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0132,0.0099,0.0216","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"125225-28-7"}
{"Compound":"Isofenphos","CAS":"25311-71-1","CAS.Checksum":true,"DTXSID":"DTXSID8032417","Formula":"C15H24NO4PS","All.Compound.Names":"Isofenphos|Dtxsid8032417|25311-71-1","logHenry":-8.898,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.117,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.828,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.186,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.93,"MP.Reference":"EPA-CCD-OPERA","MW":345.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.26","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.76","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"158,48.7,230,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0105,0.00568,0.0252","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"25311-71-1"}
{"Compound":"Isopropalin","CAS":"33820-53-0","CAS.Checksum":true,"DTXSID":"DTXSID8024157","Formula":"C15H23N3O4","All.Compound.Names":"Isopropalin|Dtxsid8024157|33820-53-0","logHenry":-6.056,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.502,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.132,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.452,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.13,"MP.Reference":"EPA-CCD-OPERA","MW":309.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"12.5,4.27,17.5,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"2.92e-08,1.82e-13,0.00481","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"33820-53-0"}
{"Compound":"Isoproterenol hydrochloride","CAS":"51-30-9","CAS.Checksum":true,"DTXSID":"DTXSID6025486","Formula":"C11H18ClNO3","All.Compound.Names":"Isoproterenol hydrochloride|Dtxsid6025486|51-30-9","logHenry":-10.46,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.184,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.589,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.369,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.3,"MP.Reference":"EPA-CCD-OPERA","MW":247.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.97","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.81,12.65,14.38","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.596,0.147,2.41","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.996","Human.Clint.pValue":0.9962,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.609,0.299,0.985","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"51-30-9"}
{"Compound":"Isoproturon","CAS":"34123-59-6","CAS.Checksum":true,"DTXSID":"DTXSID1042077","Formula":"C12H18N2O","All.Compound.Names":"Isoproturon|Dtxsid1042077|34123-59-6","logHenry":-8.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.686,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.117,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.503,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.9,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.997","Human.Clint.pValue":0.9974,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.258,0.215,0.319","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"34123-59-6"}
{"Compound":"Laurocapram","CAS":"59227-89-3","CAS.Checksum":true,"DTXSID":"DTXSID0042086","Formula":"C18H35NO","All.Compound.Names":"Laurocapram|Dtxsid0042086|59227-89-3","logHenry":-6.619,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.109,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.531,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.518,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.014,"MP.Reference":"EPA-CCD-OPERA","MW":281.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.0568,0.014,0.23","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"9.8,4.75,14.1,2e-05","Human.Clint.pValue":0.00002,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00275,0.000687,0.00512","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"59227-89-3"}
{"Compound":"Lauryl gallate","CAS":"1166-52-5","CAS.Checksum":true,"DTXSID":"DTXSID0048189","Formula":"C19H30O5","All.Compound.Names":"Lauryl gallate|Dodecyl gallate|Dtxsid0048189|1166-52-5","logHenry":-10.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.638,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.653,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.303,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.59,"MP.Reference":"EPA-CCD-OPERA","MW":338.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.23","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.998","Human.Clint.pValue":0.9977,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"2.2e-08,1.8e-13,0.00419","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1166-52-5"}
{"Compound":"Leucomalachite green","CAS":"129-73-7","CAS.Checksum":true,"DTXSID":"DTXSID7031531","Formula":"C23H26N2","All.Compound.Names":"Leucomalachite green|Dtxsid7031531|129-73-7","logHenry":-5.496,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.525,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.207,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.676,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.6,"MP.Reference":"EPA-CCD-OPERA","MW":330.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,4.58,0.88","Human.Clint.pValue":0.8798,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"2e-08,1.77e-13,0.00314","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"129-73-7"}
{"Compound":"Levothyroxine","CAS":"51-48-9","CAS.Checksum":true,"DTXSID":"DTXSID8023214","Formula":"C15H11I4NO4","All.Compound.Names":"Levothyroxine|Dtxsid8023214|51-48-9","logHenry":-8.948,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.927,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.486,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.283,"logWSol.Reference":"EPA-CCD-OPERA","MP":235.5,"MP.Reference":"EPA-CCD-OPERA","MW":776.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.43","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"5.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.9992,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"2.42e-08,1.84e-13,0.00468","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"51-48-9"}
{"Compound":"Loratadine","CAS":"79794-75-5","CAS.Checksum":true,"DTXSID":"DTXSID2023224","Formula":"C22H23ClN2O2","All.Compound.Names":"Loratadine|79794-75-5|Dtxsid2023224","logHenry":-7.736,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.197,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.5,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.088,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.9,"MP.Reference":"EPA-CCD-OPERA","MW":382.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.33","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"8.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"33.9,26.3,37.6,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.4,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.00968,0.00565,0.0237","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"79794-75-5"}
{"Compound":"M-cresol","CAS":"108-39-4","CAS.Checksum":true,"DTXSID":"DTXSID6024200","Formula":"C7H8O","All.Compound.Names":"M-cresol|Dtxsid6024200|108-39-4","logHenry":-6.067,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.96,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.089,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.682,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.05,"MP.Reference":"EPA-CCD-OPERA","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.363,0.291,0.456","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"108-39-4"}
{"Compound":"Malaoxon","CAS":"1634-78-2","CAS.Checksum":true,"DTXSID":"DTXSID9020790","Formula":"C10H19O7PS","All.Compound.Names":"Malaoxon|Dtxsid9020790","logHenry":-9.067,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.724,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.675,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.619,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.07,"MP.Reference":"EPA-CCD-OPERA","MW":314.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"44,24.4,79","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"55.9,49.7,61,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.538,0.463,0.725","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1634-78-2"}
{"Compound":"Mehp","CAS":"4376-20-9","CAS.Checksum":true,"DTXSID":"DTXSID2025680","Formula":"C16H22O4","All.Compound.Names":"Mehp|Mono(2-ethylhexyl) phthalate|Dtxsid2025680|4376-20-9","logHenry":-8.785,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.25,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.109,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.977,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.7,"MP.Reference":"EPA-CCD-OPERA","MW":278.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"47.4,26.3,85.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,14.3,0.805","Human.Clint.pValue":0.805,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.352,1.46e-11,0.966","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"4376-20-9"}
{"Compound":"Melengestrol acetate","CAS":"2919-66-6","CAS.Checksum":true,"DTXSID":"DTXSID5048184","Formula":"C25H32O4","All.Compound.Names":"Melengestrol acetate|Dtxsid5048184","logHenry":-4.975,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.327,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.391,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.034,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.7,"MP.Reference":"EPA-CCD-OPERA","MW":396.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"15.6,8.68,28.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"41.4,30.4,47.8,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0232,0.0193,0.0306","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2919-66-6"}
{"Compound":"Metamitron","CAS":"41394-05-2","CAS.Checksum":true,"DTXSID":"DTXSID7047568","Formula":"C10H10N4O","All.Compound.Names":"Metamitron|Dtxsid7047568|41394-05-2","logHenry":-8.599,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8305,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.886,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.055,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.9,"MP.Reference":"EPA-CCD-OPERA","MW":202.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.998","Human.Clint.pValue":0.9979,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.693,0.543,0.97","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"41394-05-2"}
{"Compound":"Methamidophos","CAS":"10265-92-6","CAS.Checksum":true,"DTXSID":"DTXSID6024177","Formula":"C2H8NO2PS","All.Compound.Names":"Methamidophos|Dtxsid6024177|10265-92-6","logHenry":-6.593,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7987,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.153,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6152,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.1,"MP.Reference":"EPA-CCD-OPERA","MW":141.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.996","Human.Clint.pValue":0.9961,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.396,5.45e-13,0.986","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"10265-92-6"}
{"Compound":"Methenamine","CAS":"100-97-0","CAS.Checksum":true,"DTXSID":"DTXSID6020692","Formula":"C6H12N4","All.Compound.Names":"Methenamine|Dtxsid6020692|100-97-0","logHenry":-6.816,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1649,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.483,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6137,"logWSol.Reference":"EPA-CCD-OPERA","MP":107,"MP.Reference":"EPA-CCD-OPERA","MW":140.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.9991,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.352,0.141,0.873","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"100-97-0"}
{"Compound":"Methyl 2-aminobenzoate","CAS":"134-20-3","CAS.Checksum":true,"DTXSID":"DTXSID6025567","Formula":"C8H9NO2","All.Compound.Names":"Methyl 2-aminobenzoate|Dtxsid6025567|134-20-3","logHenry":-7.962,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.877,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.836,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.723,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.82,"MP.Reference":"EPA-CCD-OPERA","MW":151.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"246,195,302,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.224,0.2,0.256","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"134-20-3"}
{"Compound":"Methyl 2,4-dihydroxy-3,6-dimethylbenzoate","CAS":"4707-47-5","CAS.Checksum":true,"DTXSID":"DTXSID9041653","Formula":"C10H12O4","All.Compound.Names":"Methyl 2,4-dihydroxy-3,6-dimethylbenzoate|Methyl 3-methylorsellinate|Dtxsid9041653|4707-47-5","logHenry":-8.846,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.051,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.901,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.924,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.3,"MP.Reference":"EPA-CCD-OPERA","MW":196.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"268,84.1,302,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0335,0.0278,0.04","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"4707-47-5"}
{"Compound":"Methyl red","CAS":"493-52-7","CAS.Checksum":true,"DTXSID":"DTXSID1042154","Formula":"C15H15N3O2","All.Compound.Names":"Methyl red|Dtxsid1042154|493-52-7","logHenry":-9.569,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.345,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.742,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.191,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.9,"MP.Reference":"EPA-CCD-OPERA","MW":269.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.79","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"6.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"11.1,5.63,16.4,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0304,0.0265,0.0371","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"493-52-7"}
{"Compound":"Methyl salicylate","CAS":"119-36-8","CAS.Checksum":true,"DTXSID":"DTXSID5025659","Formula":"C8H8O3","All.Compound.Names":"Methyl salicylate|Dtxsid5025659|119-36-8","logHenry":-7.113,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.547,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.999,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.827,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.709,"MP.Reference":"EPA-CCD-OPERA","MW":152.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"817,140,1310,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.107,0.0853,0.137","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"119-36-8"}
{"Compound":"Methylene blue","CAS":"61-73-4","CAS.Checksum":true,"DTXSID":"DTXSID0023296","Formula":"C16H18ClN3S","All.Compound.Names":"Methylene blue|Dtxsid0023296|61-73-4","logHenry":-5.817,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6257,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.793,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8712,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.2,"MP.Reference":"EPA-CCD-OPERA","MW":319.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.63,2.02,6.53","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"13.9,8.54,15.7,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.38,0.236,0.662","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"61-73-4"}
{"Compound":"Michler's ketone","CAS":"90-94-8","CAS.Checksum":true,"DTXSID":"DTXSID2020894","Formula":"C17H20N2O","All.Compound.Names":"Michler's ketone|Bis(4-(dimethylamino)phenyl)methanone|Dtxsid2020894|90-94-8","logHenry":-8.007,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.869,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.739,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.833,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.8,"MP.Reference":"EPA-CCD-OPERA","MW":268.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"39.2,30.8,44.9,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00959,0.00667,0.0199","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"90-94-8"}
{"Compound":"Minocycline hydrochloride","CAS":"13614-98-7","CAS.Checksum":true,"DTXSID":"DTXSID8044545","Formula":"C23H28ClN3O7","All.Compound.Names":"Minocycline hydrochloride|Dtxsid8044545|13614-98-7","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.07732,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.514,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9453,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.3,"MP.Reference":"EPA-CCD-OPERA","MW":493.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.998","Human.Clint.pValue":0.9977,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.276,2.08e-12,0.928","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"13614-98-7"}
{"Compound":"Monocrotophos","CAS":"6923-22-4","CAS.Checksum":true,"DTXSID":"DTXSID9034816","Formula":"C7H14NO5P","All.Compound.Names":"Monocrotophos|Dtxsid9034816|6923-22-4","logHenry":-9.642,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1994,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.779,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6202,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.98,"MP.Reference":"EPA-CCD-OPERA","MW":223.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"17,9.48,30.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"1.49,0,2.63,0.0595","Human.Clint.pValue":0.05952,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.898,0.62,0.988","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"6923-22-4"}
{"Compound":"Monolinuron","CAS":"1746-81-2","CAS.Checksum":true,"DTXSID":"DTXSID0037576","Formula":"C9H11ClN2O2","All.Compound.Names":"Monolinuron|Dtxsid0037576|1746-81-2","logHenry":-8.888,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.297,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.935,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.465,"logWSol.Reference":"EPA-CCD-OPERA","MP":81.62,"MP.Reference":"EPA-CCD-OPERA","MW":214.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,2.07,0.958","Human.Clint.pValue":0.9575,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.205,0.175,0.254","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1746-81-2"}
{"Compound":"Monotridecyl phosphate","CAS":"5116-94-9","CAS.Checksum":true,"DTXSID":"DTXSID0042169","Formula":"C13H29O4P","All.Compound.Names":"Monotridecyl phosphate|Dtxsid0042169|5116-94-9","logHenry":-8.424,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.932,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.206,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.345,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.9,"MP.Reference":"EPA-CCD-OPERA","MW":280.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"18.8,8.98,26.2,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"5116-94-9"}
{"Compound":"Morin hydrate","CAS":"654055-01-3","CAS.Checksum":true,"DTXSID":"DTXSID3040776","Formula":"C15H14O9","All.Compound.Names":"Morin hydrate|Dtxsid3040776|654055-01-3","logHenry":-10.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.499,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.907,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.081,"logWSol.Reference":"EPA-CCD-OPERA","MP":290.7,"MP.Reference":"EPA-CCD-OPERA","MW":338.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.312,0.077,1.26","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.998","Human.Clint.pValue":0.9976,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"5.73e-08,1.81e-13,0.012","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"654055-01-3"}
{"Compound":"N-benzyladenine","CAS":"1214-39-7","CAS.Checksum":true,"DTXSID":"DTXSID7032630","Formula":"C12H11N5","All.Compound.Names":"N-benzyladenine|Dtxsid7032630|N-benzyl-1h-purin-6-amine|1214-39-7","logHenry":-9.227,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.567,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.373,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.554,"logWSol.Reference":"EPA-CCD-OPERA","MP":233,"MP.Reference":"EPA-CCD-OPERA","MW":225.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.12","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.987","Human.Clint.pValue":0.987,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.138,0.121,0.165","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1214-39-7"}
{"Compound":"N-ethylaniline","CAS":"103-69-5","CAS.Checksum":true,"DTXSID":"DTXSID1025271","Formula":"C8H11N","All.Compound.Names":"N-ethylaniline|Dtxsid1025271|103-69-5","logHenry":-5.012,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.16,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.031,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.695,"logWSol.Reference":"EPA-CCD-OPERA","MP":-63.31,"MP.Reference":"EPA-CCD-OPERA","MW":121.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"51.1,28.4,92","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"21.8,17.3,24.8,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.214,0.192,0.243","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"103-69-5"}
{"Compound":"N-methyl-2-pyrrolidone","CAS":"872-50-4","CAS.Checksum":true,"DTXSID":"DTXSID6020856","Formula":"C5H9NO","All.Compound.Names":"N-methyl-2-pyrrolidone|Dtxsid6020856|872-50-4","logHenry":-8.49,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4585,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.297,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.001,"logWSol.Reference":"EPA-CCD-OPERA","MP":-23.87,"MP.Reference":"EPA-CCD-OPERA","MW":99.13,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.2081","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.888,0.526,0.988","Human.Funbound.plasma.Reference":"Wambaugh 2019","Rat.Clint":"0.3239","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.7131","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"872-50-4"}
{"Compound":"N-phenyl-1-naphthylamine","CAS":"90-30-2","CAS.Checksum":true,"DTXSID":"DTXSID2025892","Formula":"C16H13N","All.Compound.Names":"N-phenyl-1-naphthylamine|Dtxsid2025892|90-30-2","logHenry":-7.143,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.201,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.776,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.034,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.14,"MP.Reference":"EPA-CCD-OPERA","MW":219.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"57.9","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0.006962,0.004298,0.009626","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"90-30-2"}
{"Compound":"N-vinyl-2-pyrrolidone","CAS":"88-12-0","CAS.Checksum":true,"DTXSID":"DTXSID2021440","Formula":"C6H9NO","All.Compound.Names":"N-vinyl-2-pyrrolidone|Vinylpyrrolidone|Dtxsid2021440|88-12-0","logHenry":-7.802,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3681,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.157,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6578,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.56,"MP.Reference":"EPA-CCD-OPERA","MW":111.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.9989,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.953,0.693,0.989","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"88-12-0"}
{"Compound":"N,n-dimethyldodecan-1-amine","CAS":"112-18-5","CAS.Checksum":true,"DTXSID":"DTXSID1026906","Formula":"C14H31N","All.Compound.Names":"N,n-dimethyldodecan-1-amine|Dtxsid1026906|112-18-5","logHenry":-3.151,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.954,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.953,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.516,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.24,"MP.Reference":"EPA-CCD-OPERA","MW":213.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"34.2,23.6,46.2,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00699,0.00258,0.0274","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"112-18-5"}
{"Compound":"N,n,n',n'-tetrakis(2-hydroxypropyl)ethylenediamine","CAS":"102-60-3","CAS.Checksum":true,"DTXSID":"DTXSID9026689","Formula":"C14H32N2O4","All.Compound.Names":"N,n,n',n'-tetrakis(2-hydroxypropyl)ethylenediamine|1,1',1'',1'''-(ethylenedinitrilo)tetrakis(2-propanol)|Dtxsid9026689|102-60-3","logHenry":-9.856,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2557,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.125,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5328,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.07,"MP.Reference":"EPA-CCD-OPERA","MW":292.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.996","Human.Clint.pValue":0.996,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"102-60-3"}
{"Compound":"N,n,n-trimethyl(oxiran-2-yl)methanaminium chloride","CAS":"3033-77-0","CAS.Checksum":true,"DTXSID":"DTXSID1044643","Formula":"C6H14ClNO","All.Compound.Names":"N,n,n-trimethyl(oxiran-2-yl)methanaminium chloride|Glycidyl trimethylammonium chloride|Dtxsid1044643|3033-77-0","logHenry":-2.805,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.134,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.239,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.05931,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.4,"MP.Reference":"EPA-CCD-OPERA","MW":151.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9997,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.518,0.245,0.982","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"3033-77-0"}
{"Compound":"Naphthalen-2-yl 2-aminobenzoate","CAS":"63449-68-3","CAS.Checksum":true,"DTXSID":"DTXSID7047697","Formula":"C17H13NO2","All.Compound.Names":"Naphthalen-2-yl 2-aminobenzoate|Dtxsid7047697|63449-68-3","logHenry":-9.745,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.48,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.65,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.805,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.5,"MP.Reference":"EPA-CCD-OPERA","MW":263.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"846,247,1310,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00653,4.24e-11,0.0296","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"63449-68-3"}
{"Compound":"Nelivaptan","CAS":"439687-69-1","CAS.Checksum":true,"DTXSID":"DTXSID7047358","Formula":"C30H32ClN3O8S","All.Compound.Names":"Nelivaptan|Dtxsid7047358|439687-69-1","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.791,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.585,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.603,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.8,"MP.Reference":"EPA-CCD-OPERA","MW":630.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.74","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"4.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.11,1.73,5.59","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"35.3,28.5,39.6,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0608,0.0497,0.0747","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"439687-69-1"}
{"Compound":"Nicotinic acid","CAS":"59-67-6","CAS.Checksum":true,"DTXSID":"DTXSID1020932","Formula":"C6H5NO2","All.Compound.Names":"Nicotinic acid|Dtxsid1020932|59-67-6","logHenry":-8.037,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.358,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.637,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8482,"logWSol.Reference":"EPA-CCD-OPERA","MP":236.7,"MP.Reference":"EPA-CCD-OPERA","MW":123.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.73","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.54,0,7.66,0.0477","Human.Clint.pValue":0.04766,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.594,0.522,0.694","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"59-67-6"}
{"Compound":"Nilutamide","CAS":"63612-50-0","CAS.Checksum":true,"DTXSID":"DTXSID3034165","Formula":"C12H10F3N3O4","All.Compound.Names":"Nilutamide|5,5-dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl)hydantoin|63612-50-0|Dtxsid3034165","logHenry":-7.602,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.114,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.17,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.321,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.6,"MP.Reference":"EPA-CCD-OPERA","MW":317.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"47.4,26.4,85.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.998","Human.Clint.pValue":0.9984,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.167,0.106,0.275","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"63612-50-0"}
{"Compound":"Nitrofurazone","CAS":"59-87-0","CAS.Checksum":true,"DTXSID":"DTXSID5020944","Formula":"C6H6N4O4","All.Compound.Names":"Nitrofurazone|Dtxsid5020944|59-87-0","logHenry":-7.764,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2287,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.292,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.964,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.8,"MP.Reference":"EPA-CCD-OPERA","MW":198.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"27.2,15.2,49","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.991","Human.Clint.pValue":0.9907,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.856,0.462,0.988","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"59-87-0"}
{"Compound":"Nootkatone","CAS":"4674-50-4","CAS.Checksum":true,"DTXSID":"DTXSID8047050","Formula":"C15H22O","All.Compound.Names":"Nootkatone|Dtxsid8047050","logHenry":-3.525,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.841,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.596,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.704,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.058,"MP.Reference":"EPA-CCD-OPERA","MW":218.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"172,132,202,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"8.72e-08,1.94e-13,0.0174","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"4674-50-4"}
{"Compound":"Octyl gallate","CAS":"1034-01-1","CAS.Checksum":true,"DTXSID":"DTXSID4040713","Formula":"C15H22O5","All.Compound.Names":"Octyl gallate|Dtxsid4040713|1034-01-1","logHenry":-9.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.659,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.568,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.892,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.6,"MP.Reference":"EPA-CCD-OPERA","MW":282.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"230,101,1150,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.000904,2.93e-13,0.983","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1034-01-1"}
{"Compound":"Oleyl sarcosine","CAS":"110-25-8","CAS.Checksum":true,"DTXSID":"DTXSID5042243","Formula":"C21H39NO3","All.Compound.Names":"Oleyl sarcosine|Dtxsid5042243|110-25-8","logHenry":-7.197,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.151,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.308,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.71,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.89,"MP.Reference":"EPA-CCD-OPERA","MW":353.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.0943,0.0233,0.382","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"41.7,30.1,61.9,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"3.54e-08,1.8e-13,0.00653","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"110-25-8"}
{"Compound":"Oxyphenisatin","CAS":"125-13-3","CAS.Checksum":true,"DTXSID":"DTXSID5044528","Formula":"C20H15NO3","All.Compound.Names":"Oxyphenisatin|Dtxsid5044528|125-13-3","logHenry":-9.546,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.339,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.003,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.827,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.5,"MP.Reference":"EPA-CCD-OPERA","MW":317.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"4.06,2.26,7.29","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,9.86,0.9","Human.Clint.pValue":0.9001,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0266,0.0221,0.035","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"125-13-3"}
{"Compound":"P-xylenol blue","CAS":"125-31-5","CAS.Checksum":true,"DTXSID":"DTXSID8026303","Formula":"C23H22O5S","All.Compound.Names":"P-xylenol blue|Dtxsid8026303|125-31-5","logHenry":-8.794,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.034,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.499,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.588,"logWSol.Reference":"EPA-CCD-OPERA","MP":224.4,"MP.Reference":"EPA-CCD-OPERA","MW":410.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.9991,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0261,0.0249,0.0277","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"125-31-5"}
{"Compound":"Paraoxon","CAS":"311-45-5","CAS.Checksum":true,"DTXSID":"DTXSID6024046","Formula":"C10H14NO6P","All.Compound.Names":"Paraoxon|Dtxsid6024046|311-45-5","logHenry":-6.541,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.981,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.539,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.062,"logWSol.Reference":"EPA-CCD-OPERA","MP":299.5,"MP.Reference":"EPA-CCD-OPERA","MW":275.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.995","Human.Clint.pValue":0.9955,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.46,0.413,0.516","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"311-45-5"}
{"Compound":"Pd-0333941","CAS":"501027-49-2","CAS.Checksum":true,"DTXSID":"DTXSID2047307","Formula":"C23H22N2O4","All.Compound.Names":"Pd-0333941|Dtxsid2047307|501027-49-2","logHenry":-7.093,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.023,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.237,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.758,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.8,"MP.Reference":"EPA-CCD-OPERA","MW":390.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.81","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"40.7,22.7,73.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"3.4,1.59,5.6,6e-05","Human.Clint.pValue":0.00006,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00409,0.00308,0.00662","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"501027-49-2"}
{"Compound":"Pebulate","CAS":"1114-71-2","CAS.Checksum":true,"DTXSID":"DTXSID8021199","Formula":"C10H21NOS","All.Compound.Names":"Pebulate|Dtxsid8021199|1114-71-2","logHenry":-6.278,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.835,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.584,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.326,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.86,"MP.Reference":"EPA-CCD-OPERA","MW":203.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"159,28.2,257,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"5.36e-08,1.86e-13,0.0148","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1114-71-2"}
{"Compound":"Pentachloropyridine","CAS":"2176-62-7","CAS.Checksum":true,"DTXSID":"DTXSID2022179","Formula":"C5Cl5N","All.Compound.Names":"Pentachloropyridine|Dtxsid2022179|2176-62-7","logHenry":-3.134,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.532,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.179,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.159,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.4,"MP.Reference":"EPA-CCD-OPERA","MW":251.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"362,6.92,1250,0.00062","Human.Clint.pValue":0.00062,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"4.42e-08,1.76e-13,0.00935","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2176-62-7"}
{"Compound":"Pharmagsid_48505","CAS":"NOCAS_48505","CAS.Checksum":false,"DTXSID":"DTXSID0048505","Formula":"C17H12ClN5O2","All.Compound.Names":"Pharmagsid_48505|Dtxsid0048505|NOCAS_48505","logHenry":-10.14,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.169,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.085,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.229,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.9,"MP.Reference":"EPA-CCD-OPERA","MW":353.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.998","Human.Clint.pValue":0.9982,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0135,0.00931,0.0229","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"NOCAS_48505"}
{"Compound":"Pharmagsid_48510","CAS":"460081-99-6","CAS.Checksum":true,"DTXSID":"DTXSID9048510","Formula":"C21H16F4N2O4","All.Compound.Names":"Pharmagsid_48510|Dtxsid9048510|460081-99-6","logHenry":-7.838,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.009,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.518,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.033,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.1,"MP.Reference":"EPA-CCD-OPERA","MW":436.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.08","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"5.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"28,15.6,50.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"7.69,2.71,11,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0142,0.012,0.019","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"460081-99-6"}
{"Compound":"Phenobarbital sodium","CAS":"57-30-7","CAS.Checksum":true,"DTXSID":"DTXSID0021123","Formula":"C12H11N2NaO3","All.Compound.Names":"Phenobarbital sodium|Dtxsid0021123|57-30-7","logHenry":-9.552,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.405,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.41,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.991,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.2,"MP.Reference":"EPA-CCD-OPERA","MW":254.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9999,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.247,0.19,0.314","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"57-30-7"}
{"Compound":"Phenol red","CAS":"143-74-8","CAS.Checksum":true,"DTXSID":"DTXSID8022408","Formula":"C19H14O5S","All.Compound.Names":"Phenol red|Dtxsid8022408|143-74-8","logHenry":-8.766,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.02,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.367,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.913,"logWSol.Reference":"EPA-CCD-OPERA","MP":269.8,"MP.Reference":"EPA-CCD-OPERA","MW":354.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"2.33,1.3,4.19","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"1.1,0.119,2.96,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.142,0.0979,0.216","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"143-74-8"}
{"Compound":"Phenol red sodium salt","CAS":"34487-61-1","CAS.Checksum":true,"DTXSID":"DTXSID2044420","Formula":"C19H13NaO5S","All.Compound.Names":"Phenol red sodium salt|Dtxsid2044420|34487-61-1","logHenry":-8.764,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9263,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.493,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.098,"logWSol.Reference":"EPA-CCD-OPERA","MP":271.1,"MP.Reference":"EPA-CCD-OPERA","MW":376.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,0.998","Human.Clint.pValue":0.9982,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0878,0.063,0.123","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"34487-61-1"}
{"Compound":"Phenolphthalin","CAS":"81-90-3","CAS.Checksum":true,"DTXSID":"DTXSID5022439","Formula":"C20H16O4","All.Compound.Names":"Phenolphthalin|Dtxsid5022439|81-90-3","logHenry":-9.395,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.612,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.692,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.262,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.5,"MP.Reference":"EPA-CCD-OPERA","MW":320.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.323,0.0797,1.31","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"1.85,0.768,2.9,0.00762","Human.Clint.pValue":0.00762,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00918,0.0075,0.013","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"81-90-3"}
{"Compound":"Phenothiazine","CAS":"92-84-2","CAS.Checksum":true,"DTXSID":"DTXSID5021126","Formula":"C12H9NS","All.Compound.Names":"Phenothiazine|Dtxsid5021126|92-84-2","logHenry":-7.147,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.149,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.153,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.1,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.4,"MP.Reference":"EPA-CCD-OPERA","MW":199.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"49.7,27.6,89.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.998","Human.Clint.pValue":0.9977,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0043,0.0019,0.0157","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"92-84-2"}
{"Compound":"Phenylparaben","CAS":"17696-62-7","CAS.Checksum":true,"DTXSID":"DTXSID4047882","Formula":"C13H10O3","All.Compound.Names":"Phenylparaben|Dtxsid4047882|17696-62-7","logHenry":-9.543,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.288,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.567,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.998,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.8,"MP.Reference":"EPA-CCD-OPERA","MW":214.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"865,265,1310,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.045,0.0295,0.0534","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"17696-62-7"}
{"Compound":"Picoxystrobin","CAS":"117428-22-5","CAS.Checksum":true,"DTXSID":"DTXSID9047542","Formula":"C18H16F3NO4","All.Compound.Names":"Picoxystrobin|Dtxsid9047542|117428-22-5","logHenry":-8.409,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.702,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.888,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.071,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.28,"MP.Reference":"EPA-CCD-OPERA","MW":367.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"57.1,44.4,85,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Rat.Clint":"88.4","Rat.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"117428-22-5"}
{"Compound":"Pioglitazone hydrochloride","CAS":"112529-15-4","CAS.Checksum":true,"DTXSID":"DTXSID3044203","Formula":"C19H21ClN2O3S","All.Compound.Names":"Pioglitazone hydrochloride|Dtxsid3044203|112529-15-4","logHenry":-8.785,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2365,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.52,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.865,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.5,"MP.Reference":"EPA-CCD-OPERA","MW":392.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.44,1.91,6.19","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"8.92,5.89,12,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0106,0.00798,0.0183","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"112529-15-4"}
{"Compound":"Piragliatin","CAS":"625114-41-2","CAS.Checksum":true,"DTXSID":"DTXSID3048520","Formula":"C19H20ClN3O4S","All.Compound.Names":"Piragliatin|Dtxsid3048520|625114-41-2","logHenry":-10.61,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.964,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.284,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.624,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.3,"MP.Reference":"EPA-CCD-OPERA","MW":421.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.08","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"10.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"2.38,1.32,4.27","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"6.26,3.04,8.26,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.48,0.447,0.52","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"625114-41-2"}
{"Compound":"Pravastatin sodium","CAS":"81131-70-6","CAS.Checksum":true,"DTXSID":"DTXSID6047525","Formula":"C23H35NaO7","All.Compound.Names":"Pravastatin sodium|Dtxsid6047525|81131-70-6","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2281,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.657,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.606,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.2,"MP.Reference":"EPA-CCD-OPERA","MW":446.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.347,0.0857,1.41","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9995,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.361,0.209,0.74","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"81131-70-6"}
{"Compound":"Procymidone","CAS":"32809-16-8","CAS.Checksum":true,"DTXSID":"DTXSID9033923","Formula":"C13H11Cl2NO2","All.Compound.Names":"Procymidone|Dtxsid9033923|32809-16-8","logHenry":-6.667,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.081,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.667,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.885,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.8,"MP.Reference":"EPA-CCD-OPERA","MW":284.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"24.6,13.7,44.2","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"5.32,3.13,7.23,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0499,0.0406,0.0598","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"32809-16-8"}
{"Compound":"Profenofos","CAS":"41198-08-7","CAS.Checksum":true,"DTXSID":"DTXSID3032464","Formula":"C11H15BrClO3PS","All.Compound.Names":"Profenofos|Dtxsid3032464","logHenry":-5.054,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.681,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.678,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.128,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.6,"MP.Reference":"EPA-CCD-OPERA","MW":373.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"141,106,177,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"41198-08-7"}
{"Compound":"Propachlor","CAS":"1918-16-7","CAS.Checksum":true,"DTXSID":"DTXSID4024274","Formula":"C11H14ClNO","All.Compound.Names":"Propachlor|Dtxsid4024274|1918-16-7","logHenry":-6.907,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.182,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.202,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.494,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.92,"MP.Reference":"EPA-CCD-OPERA","MW":211.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"69.7,64.1,74.4,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.345,0.318,0.37","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1918-16-7"}
{"Compound":"Propargite","CAS":"2312-35-8","CAS.Checksum":true,"DTXSID":"DTXSID4024276","Formula":"C19H26O4S","All.Compound.Names":"Propargite|Dtxsid4024276","logHenry":-5.025,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.999,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.696,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.965,"logWSol.Reference":"EPA-CCD-OPERA","MP":199,"MP.Reference":"EPA-CCD-OPERA","MW":350.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"24,16.9,38.5,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0133,0.00696,0.0199","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2312-35-8"}
{"Compound":"Propyl gallate","CAS":"121-79-9","CAS.Checksum":true,"DTXSID":"DTXSID5021201","Formula":"C10H12O5","All.Compound.Names":"Propyl gallate|Gallic acid n-propyl ester|Dtxsid5021201|121-79-9","logHenry":-8.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.8,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.523,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.781,"logWSol.Reference":"EPA-CCD-OPERA","MP":130,"MP.Reference":"EPA-CCD-OPERA","MW":212.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"7.24,3.21,16.3","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"49.7,39.2,55,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0258,0.0131,0.054","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"121-79-9"}
{"Compound":"Pyraflufen-ethyl","CAS":"129630-19-9","CAS.Checksum":true,"DTXSID":"DTXSID8034871","Formula":"C15H13Cl2F3N2O4","All.Compound.Names":"Pyraflufen-ethyl|Dtxsid8034871|129630-19-9","logHenry":-8.027,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.491,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.682,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.697,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.93,"MP.Reference":"EPA-CCD-OPERA","MW":413.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"71.6,0,1170,0.167","Human.Clint.pValue":0.1668,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.435,0.133,0.987","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"129630-19-9"}
{"Compound":"Pyridoxine","CAS":"65-23-6","CAS.Checksum":true,"DTXSID":"DTXSID4023541","Formula":"C8H11NO3","All.Compound.Names":"Pyridoxine|Dtxsid4023541|65-23-6","logHenry":-7.587,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7695,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.894,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.03012,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.6,"MP.Reference":"EPA-CCD-OPERA","MW":169.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9996,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"65-23-6"}
{"Compound":"Quizalofop-ethyl","CAS":"76578-14-8","CAS.Checksum":true,"DTXSID":"DTXSID9023889","Formula":"C19H17ClN2O4","All.Compound.Names":"Quizalofop-ethyl|Dtxsid9023889|76578-14-8","logHenry":-7.319,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.278,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.479,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.99,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.28,"MP.Reference":"EPA-CCD-OPERA","MW":372.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"35.3,26.7,41.9,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"76578-14-8"}
{"Compound":"Raloxifene hydrochloride","CAS":"82640-04-8","CAS.Checksum":true,"DTXSID":"DTXSID1034181","Formula":"C28H28ClNO4S","All.Compound.Names":"Raloxifene hydrochloride|Dtxsid1034181|82640-04-8","logHenry":-9.962,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.57,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.132,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.168,"logWSol.Reference":"EPA-CCD-OPERA","MP":239.7,"MP.Reference":"EPA-CCD-OPERA","MW":510,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.95","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"10.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"43.7,35,48.8,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0129,0.00361,0.0324","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"82640-04-8"}
{"Compound":"Resveratrol","CAS":"501-36-0","CAS.Checksum":true,"DTXSID":"DTXSID4031980","Formula":"C14H12O3","All.Compound.Names":"Resveratrol|Dtxsid4031980|501-36-0","logHenry":-7.336,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.304,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.898,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.173,"logWSol.Reference":"EPA-CCD-OPERA","MP":253.9,"MP.Reference":"EPA-CCD-OPERA","MW":228.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"62.9,8.46,130,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"5.86e-08,1.88e-13,0.0225","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"501-36-0"}
{"Compound":"Rhodamine 6g","CAS":"989-38-8","CAS.Checksum":true,"DTXSID":"DTXSID1021243","Formula":"C28H31ClN2O3","All.Compound.Names":"Rhodamine 6g|989-38-8","logHenry":-8.696,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.207,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.426,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.044,"logWSol.Reference":"EPA-CCD-OPERA","MP":208.9,"MP.Reference":"EPA-CCD-OPERA","MW":479,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.75,0.974,3.15","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.999","Human.Clint.pValue":0.9989,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"3.14e-07,2.18e-13,0.097","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"989-38-8"}
{"Compound":"Secbumeton","CAS":"26259-45-0","CAS.Checksum":true,"DTXSID":"DTXSID8037594","Formula":"C10H19N5O","All.Compound.Names":"Secbumeton|Dtxsid8037594|26259-45-0","logHenry":-7.527,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.103,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.898,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.576,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.3,"MP.Reference":"EPA-CCD-OPERA","MW":225.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.77","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"14.36","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6.53,2.61,12.2,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0461,0.0364,0.0625","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"26259-45-0"}
{"Compound":"Sodium 2-mercaptobenzothiolate","CAS":"2492-26-4","CAS.Checksum":true,"DTXSID":"DTXSID1026035","Formula":"C7H4NNaS2","All.Compound.Names":"Sodium 2-mercaptobenzothiolate|Dtxsid1026035|2492-26-4","logHenry":-5.061,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.009,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.719,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.172,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.5,"MP.Reference":"EPA-CCD-OPERA","MW":189.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.74","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"61.3,34.1,110","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"41.7,29.8,49.1,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0368,0.0327,0.0418","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2492-26-4"}
{"Compound":"Sodium 4-nitrophenolate","CAS":"824-78-2","CAS.Checksum":true,"DTXSID":"DTXSID3027320","Formula":"C6H4NNaO3","All.Compound.Names":"Sodium 4-nitrophenolate|Dtxsid3027320|824-78-2","logHenry":-9.376,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.518,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.631,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.014,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.27,"MP.Reference":"EPA-CCD-OPERA","MW":161.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"48.1,44.1,52.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.17,0.113,0.282","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"824-78-2"}
{"Compound":"Sodium chlorite","CAS":"7758-19-2","CAS.Checksum":true,"DTXSID":"DTXSID8021272","Formula":"ClNaO2","All.Compound.Names":"Sodium chlorite","logP":-0.259,"logP.Reference":"Wambaugh 2019","MW":90.44,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"75.4,0,1270,0.471","Human.Clint.pValue":0.4714,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"7758-19-2"}
{"Compound":"Sodium dehydroacetate","CAS":"4418-26-2","CAS.Checksum":true,"DTXSID":"DTXSID7026029","Formula":"C8H7NaO4","All.Compound.Names":"Sodium dehydroacetate|Dtxsid7026029|4418-26-2","logHenry":-5.223,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.545,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.16,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9666,"logWSol.Reference":"EPA-CCD-OPERA","MP":105,"MP.Reference":"EPA-CCD-OPERA","MW":190.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"28.9,16.1,52","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9998,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.062,0.0546,0.0719","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"4418-26-2"}
{"Compound":"Sodium saccharin hydrate","CAS":"82385-42-0","CAS.Checksum":true,"DTXSID":"DTXSID7021992","Formula":"C7H6NNaO4S","All.Compound.Names":"Sodium saccharin hydrate|Dtxsid7021992|82385-42-0","logHenry":-8.641,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.005,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.49,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.026,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.8,"MP.Reference":"EPA-CCD-OPERA","MW":223.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,9.32,0.544","Human.Clint.pValue":0.5437,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.698,0.429,0.986","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"82385-42-0"}
{"Compound":"Sodium tridecyl sulfate","CAS":"3026-63-9","CAS.Checksum":true,"DTXSID":"DTXSID4042418","Formula":"C13H27NaO4S","All.Compound.Names":"Sodium tridecyl sulfate|Dtxsid4042418|3026-63-9","logHenry":-6.644,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.541,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.493,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.223,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.5,"MP.Reference":"EPA-CCD-OPERA","MW":302.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.92","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"-1.45","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"43.1,20.8,54.6,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"3026-63-9"}
{"Compound":"Ssr162369","CAS":"NOCAS_47346","CAS.Checksum":false,"DTXSID":"DTXSID3047346","Formula":"C18H22F2N6O","All.Compound.Names":"Ssr162369|Dtxsid3047346|NOCAS_47346","logHenry":-10.07,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.156,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.252,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.34,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.7,"MP.Reference":"EPA-CCD-OPERA","MW":376.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"8.06,4.48,14.5","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Funbound.plasma":"0.702,0.431,0.985","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"NOCAS_47346"}
{"Compound":"Ssr241586","CAS":"476013-14-6","CAS.Checksum":true,"DTXSID":"DTXSID7047354","Formula":"C32H42Cl2N4O3","All.Compound.Names":"Ssr241586|1'-{2-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl}-n,n-dimethyl[1,4'-bipiperidine]-4'-carboxamide|Dtxsid7047354|476013-14-6","logHenry":-7.449,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.085,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.589,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.288,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.7,"MP.Reference":"EPA-CCD-OPERA","MW":601.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.45,7.06","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"8.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"13.6,8.07,16.2,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0127,0.00771,0.0234","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"476013-14-6"}
{"Compound":"Sucrose octaacetate","CAS":"126-14-7","CAS.Checksum":true,"DTXSID":"DTXSID3042423","Formula":"C28H38O19","All.Compound.Names":"Sucrose octaacetate|Dtxsid3042423","logHenry":-8.626,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9864,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.69,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.872,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.49,"MP.Reference":"EPA-CCD-OPERA","MW":678.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"194,175,280,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"126-14-7"}
{"Compound":"Sulfamethazine","CAS":"57-68-1","CAS.Checksum":true,"DTXSID":"DTXSID6021290","Formula":"C12H14N4O2S","All.Compound.Names":"Sulfamethazine|57-68-1|Dtxsid6021290","logHenry":-10.14,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1913,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.071,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.365,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.9,"MP.Reference":"EPA-CCD-OPERA","MW":278.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.04,0.98","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"7.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"26.3,14.6,47.3","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9999,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Foral":0.865,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.175,0.162,0.193","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"57-68-1"}
{"Compound":"Sulfaquinoxaline","CAS":"59-40-5","CAS.Checksum":true,"DTXSID":"DTXSID8042424","Formula":"C14H12N4O2S","All.Compound.Names":"Sulfaquinoxaline|Dtxsid8042424|59-40-5","logHenry":-9.977,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.68,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.708,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.598,"logWSol.Reference":"EPA-CCD-OPERA","MP":247.5,"MP.Reference":"EPA-CCD-OPERA","MW":300.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.13","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"9.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"13.7,7.61,24.6","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.993","Human.Clint.pValue":0.9929,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0037,0.0017,0.013","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"59-40-5"}
{"Compound":"Sulfathiazole","CAS":"72-14-0","CAS.Checksum":true,"DTXSID":"DTXSID8026068","Formula":"C9H9N3O2S2","All.Compound.Names":"Sulfathiazole|Dtxsid8026068|72-14-0","logHenry":-10.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.05278,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.021,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.581,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.1,"MP.Reference":"EPA-CCD-OPERA","MW":255.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.04,0.35","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"7.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9998,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"72-14-0"}
{"Compound":"Sulfluramid","CAS":"4151-50-2","CAS.Checksum":true,"DTXSID":"DTXSID1032646","Formula":"C10H6F17NO2S","All.Compound.Names":"Sulfluramid|N-ethylperfluorooctanesulfonamide|Dtxsid1032646|N-ethylperfluorooctane sulfonamide|4151-50-2","logHenry":-9.797,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.796,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.875,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.093,"logWSol.Reference":"EPA-CCD-OPERA","MP":96,"MP.Reference":"EPA-CCD-OPERA","MW":527.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.48,0,19.3,0.462","Human.Clint.pValue":0.4615,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"5.11e-08,1.79e-13,0.00652","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"PFAS","_row":"4151-50-2"}
{"Compound":"Sulfotepp","CAS":"3689-24-5","CAS.Checksum":true,"DTXSID":"DTXSID7024328","Formula":"C8H20O5P2S2","All.Compound.Names":"Sulfotepp|Dtxsid7024328|Sulfotep","logHenry":-6.362,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.988,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.583,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.19,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.59,"MP.Reference":"EPA-CCD-OPERA","MW":322.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"101,74.9,118,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0206,0.0115,0.0402","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"3689-24-5"}
{"Compound":"Sulisobenzone","CAS":"4065-45-6","CAS.Checksum":true,"DTXSID":"DTXSID2042436","Formula":"C14H12O6S","All.Compound.Names":"Sulisobenzone|Dtxsid2042436|4065-45-6","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.43,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.792,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.0933,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.1,"MP.Reference":"EPA-CCD-OPERA","MW":308.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.0928,0.0229,0.376","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"1.05,0.483,1.65,5e-04","Human.Clint.pValue":0.0005,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00942,0.00455,0.0245","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"4065-45-6"}
{"Compound":"Surinabant","CAS":"288104-79-0","CAS.Checksum":true,"DTXSID":"DTXSID2047357","Formula":"C23H23BrCl2N4O","All.Compound.Names":"Surinabant|Dtxsid2047357|288104-79-0","logHenry":-7.968,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.451,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.751,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.641,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.1,"MP.Reference":"EPA-CCD-OPERA","MW":522.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.60","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"7.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,10.4,0.909","Human.Clint.pValue":0.9088,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"3.63e-08,1.78e-13,0.00476","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"288104-79-0"}
{"Compound":"Tembotrione","CAS":"335104-84-2","CAS.Checksum":true,"DTXSID":"DTXSID5047037","Formula":"C17H16ClF3O6S","All.Compound.Names":"Tembotrione|Dtxsid5047037","logHenry":-9.185,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.926,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.663,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.194,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.84,"MP.Reference":"EPA-CCD-OPERA","MW":440.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.21","pKa_Donor.Reference":"Wambaugh 2019","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9999,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0919,0.0672,0.131","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"335104-84-2"}
{"Compound":"Terbufos","CAS":"13071-79-9","CAS.Checksum":true,"DTXSID":"DTXSID2022254","Formula":"C9H21O2PS3","All.Compound.Names":"Terbufos|Dtxsid2022254","logHenry":-5.334,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.478,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.303,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.768,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.16,"MP.Reference":"EPA-CCD-OPERA","MW":288.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"32.5,16.5,53.3,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0306,0.0132,0.051","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"13071-79-9"}
{"Compound":"Testosterone propionate","CAS":"57-85-2","CAS.Checksum":true,"DTXSID":"DTXSID9036515","Formula":"C22H32O3","All.Compound.Names":"Testosterone propionate|Dtxsid9036515","logHenry":-7.059,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.102,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.558,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.368,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.1,"MP.Reference":"EPA-CCD-OPERA","MW":344.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"427,153,1250,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"3.71e-08,1.88e-13,0.0079","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"57-85-2"}
{"Compound":"Tetrabromophenolphthalein ethyl ester","CAS":"1176-74-5","CAS.Checksum":true,"DTXSID":"DTXSID5044520","Formula":"C22H14Br4O4","All.Compound.Names":"Tetrabromophenolphthalein ethyl ester|Dtxsid5044520|1176-74-5","logHenry":-6.296,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.769,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.436,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.594,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.7,"MP.Reference":"EPA-CCD-OPERA","MW":662,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,3.59,0.628","Human.Clint.pValue":0.6276,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0114,0.00665,0.0218","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1176-74-5"}
{"Compound":"Tetrabutyl ethylidenebisphenol","CAS":"35958-30-6","CAS.Checksum":true,"DTXSID":"DTXSID4038899","Formula":"C30H46O2","All.Compound.Names":"Tetrabutyl ethylidenebisphenol|Phenol, 2,2'-ethylidenebis[4,6-bis(1,1-dimethylethyl)-|Dtxsid4038899|35958-30-6","logHenry":-8.902,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8628,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.991,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.4,"MP.Reference":"EPA-CCD-OPERA","MW":438.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.383,0,3.38,0.435","Human.Clint.pValue":0.4354,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"35958-30-6"}
{"Compound":"Tetrahydrocurcumin","CAS":"36062-04-1","CAS.Checksum":true,"DTXSID":"DTXSID30865801","Formula":"C21H24O6","All.Compound.Names":"Tetrahydrocurcumin|Dtxsid30865801|36062-04-1","logHenry":-8.583,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.343,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.176,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.7,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.3,"MP.Reference":"EPA-CCD-OPERA","MW":372.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"173,102,219,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0501,0.0434,0.0572","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"36062-04-1"}
{"Compound":"Theobromine","CAS":"83-67-0","CAS.Checksum":true,"DTXSID":"DTXSID9026132","Formula":"C7H8N4O2","All.Compound.Names":"Theobromine|Dtxsid9026132|83-67-0","logHenry":-8.558,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7743,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.2,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.671,"logWSol.Reference":"EPA-CCD-OPERA","MP":356.8,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"24.4,13.6,43.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"396,15.6,1250,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.955,0.778,0.989","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"83-67-0"}
{"Compound":"Thiram","CAS":"137-26-8","CAS.Checksum":true,"DTXSID":"DTXSID5021332","Formula":"C6H12N2S4","All.Compound.Names":"Thiram|Bis(dimethylaminothiocarbonyl) disulfide|Dtxsid5021332|137-26-8","logHenry":-8.707,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.73,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.638,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.985,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.4,"MP.Reference":"EPA-CCD-OPERA","MW":240.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"816,177,1310,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"3.86e-08,1.86e-13,0.00848","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"137-26-8"}
{"Compound":"Tolazamide","CAS":"1156-19-0","CAS.Checksum":true,"DTXSID":"DTXSID3021358","Formula":"C14H21N3O3S","All.Compound.Names":"Tolazamide|Dtxsid3021358|1156-19-0","logHenry":-9.379,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.687,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.484,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.68,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.5,"MP.Reference":"EPA-CCD-OPERA","MW":311.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.61","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"4.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"12.8,7.13,23.1","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"0,0,0,0.997","Human.Clint.pValue":0.9973,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.065,0.0374,0.131","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1156-19-0"}
{"Compound":"Trelanserin","CAS":"189003-92-7","CAS.Checksum":true,"DTXSID":"DTXSID2047355","Formula":"C24H24FN5O2S","All.Compound.Names":"Trelanserin|Dtxsid2047355|189003-92-7","logHenry":-7.918,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.729,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.839,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.528,"logWSol.Reference":"EPA-CCD-OPERA","MP":219,"MP.Reference":"EPA-CCD-OPERA","MW":465.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.74,4.17","pKa_Accept.Reference":"Wambaugh 2019","pKa_Donor":"4.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"7.71,4.29,13.9","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"7.06,3.56,13.6,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.0607,0.0362,0.119","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"189003-92-7"}
{"Compound":"Triacetin","CAS":"102-76-1","CAS.Checksum":true,"DTXSID":"DTXSID3026691","Formula":"C9H14O6","All.Compound.Names":"Triacetin|Dtxsid3026691","logHenry":-7.677,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2505,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.621,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5887,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.552,"MP.Reference":"EPA-CCD-OPERA","MW":218.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"393,215,1260,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"5.77e-05,2.72e-13,0.983","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"102-76-1"}
{"Compound":"Triazophos","CAS":"24017-47-8","CAS.Checksum":true,"DTXSID":"DTXSID9037612","Formula":"C12H16N3O3PS","All.Compound.Names":"Triazophos|Dtxsid9037612|24017-47-8","logHenry":-6.418,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.341,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.797,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.977,"logWSol.Reference":"EPA-CCD-OPERA","MP":3.599,"MP.Reference":"EPA-CCD-OPERA","MW":313.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"30.2,19.1,36,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.049,0.0421,0.0616","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"24017-47-8"}
{"Compound":"Tributyltetradecylphosphonium chloride","CAS":"81741-28-8","CAS.Checksum":true,"DTXSID":"DTXSID9034997","Formula":"C26H56ClP","All.Compound.Names":"Tributyltetradecylphosphonium chloride","logHenry":-6.032,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.069,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.619,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.951,"logWSol.Reference":"EPA-CCD-OPERA","MP":7.014,"MP.Reference":"EPA-CCD-OPERA","MW":435.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"16.7,6.46,21.2,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"81741-28-8"}
{"Compound":"Tributyltin chloride","CAS":"1461-22-9","CAS.Checksum":true,"DTXSID":"DTXSID3027403","Formula":"C12H27ClSn","All.Compound.Names":"Tributyltin chloride","logP":4.983,"logP.Reference":"Wambaugh 2019","MW":325.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"782,153,1310,0.00134","Human.Clint.pValue":0.00134,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"1461-22-9"}
{"Compound":"Triclopyr butotyl","CAS":"64700-56-7","CAS.Checksum":true,"DTXSID":"DTXSID5032579","Formula":"C13H16Cl3NO4","All.Compound.Names":"Triclopyr butotyl|Triclopyr-butotyl|Dtxsid5032579|Triclopyr 2-butoxyethyl ester|64700-56-7","logHenry":-6.825,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.175,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.014,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.133,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.42,"MP.Reference":"EPA-CCD-OPERA","MW":356.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"858,231,1310,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"64700-56-7"}
{"Compound":"Triethylene glycol dimethyl ether","CAS":"112-49-2","CAS.Checksum":true,"DTXSID":"DTXSID8026224","Formula":"C8H18O4","All.Compound.Names":"Triethylene glycol dimethyl ether|Dtxsid8026224","logHenry":-5.221,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1647,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.169,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2953,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.95,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0,0,0,1","Human.Clint.pValue":0.9999,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.66,0.577,0.883","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"112-49-2"}
{"Compound":"Triglycidyl isocyanurate","CAS":"2451-62-9","CAS.Checksum":true,"DTXSID":"DTXSID4026262","Formula":"C12H15N3O6","All.Compound.Names":"Triglycidyl isocyanurate|Tris(2,3-epoxypropyl)isocyanurate|Dtxsid4026262|2451-62-9","logHenry":-6.37,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2031,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.91,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.635,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.21,"MP.Reference":"EPA-CCD-OPERA","MW":297.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"9.69,5.39,17.4","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Clint":"180,133,215,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.402,0.16,0.984","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"2451-62-9"}
{"Compound":"Tris(2,3-dibromopropyl) phosphate","CAS":"126-72-7","CAS.Checksum":true,"DTXSID":"DTXSID5021413","Formula":"C9H15Br6O4P","All.Compound.Names":"Tris(2,3-dibromopropyl) phosphate|Dtxsid5021413","logHenry":-1.924,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.29,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.4,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.94,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.557,"MP.Reference":"EPA-CCD-OPERA","MW":697.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"177,35.9,1240,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Human.Funbound.plasma":"0.00703,0.00319,0.0264","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"126-72-7"}
{"Compound":"Umbelliferone","CAS":"93-35-6","CAS.Checksum":true,"DTXSID":"DTXSID5052626","Formula":"C9H6O3","All.Compound.Names":"Umbelliferone|Dtxsid5052626|93-35-6","logHenry":-9.277,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.58,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.084,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.196,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.2,"MP.Reference":"EPA-CCD-OPERA","MW":162.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"49.5,44.2,53.9,0","Human.Clint.pValue":0,"Human.Clint.pValue.Reference":"Wambaugh 2019","Human.Clint.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"93-35-6"}
{"Compound":"Zenarestat","CAS":"112733-06-9","CAS.Checksum":true,"DTXSID":"DTXSID0047296","Formula":"C17H11BrClFN2O4","All.Compound.Names":"Zenarestat|Dtxsid0047296|112733-06-9","logHenry":-8.841,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.025,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.218,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.481,"logWSol.Reference":"EPA-CCD-OPERA","MP":185,"MP.Reference":"EPA-CCD-OPERA","MW":441.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"2.1,1.17,3.77","Human.Caco2.Pab.Reference":"HondaUnpublished","Human.Funbound.plasma":"0.0091,0.00625,0.0181","Human.Funbound.plasma.Reference":"Wambaugh 2019","Chemical.Class":"","_row":"112733-06-9"}
{"Compound":"4'-methoxyacetophenone","CAS":"100-06-1","CAS.Checksum":true,"DTXSID":"DTXSID2044347","Formula":"C9H10O2","All.Compound.Names":"4'-methoxyacetophenone|Dtxsid2044347","logHenry":-7.014,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.743,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.92,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.48,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-06-1"}
{"Compound":"4-dimethylaminobenzaldehyde","CAS":"100-10-7","CAS.Checksum":true,"DTXSID":"DTXSID5021835","Formula":"C9H11NO","All.Compound.Names":"4-dimethylaminobenzaldehyde|Dtxsid5021835|100-10-7","logHenry":-6.149,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.809,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.978,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.099,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.19,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-10-7"}
{"Compound":"4-nitrobenzylbromide","CAS":"100-11-8","CAS.Checksum":true,"DTXSID":"DTXSID7049392","Formula":"C7H6BrNO2","All.Compound.Names":"4-nitrobenzylbromide|Dtxsid7049392","logHenry":-5.049,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.818,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.947,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.427,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.2,"MP.Reference":"EPA-CCD-OPERA","MW":216,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-11-8"}
{"Compound":"4-nitrobenzyl chloride","CAS":"100-14-1","CAS.Checksum":true,"DTXSID":"DTXSID4025745","Formula":"C7H6ClNO2","All.Compound.Names":"4-nitrobenzyl chloride|Dtxsid4025745","logHenry":-5.079,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.709,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.296,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.924,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.74,"MP.Reference":"EPA-CCD-OPERA","MW":171.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-14-1"}
{"Compound":"N-methyl-4-nitroaniline","CAS":"100-15-2","CAS.Checksum":true,"DTXSID":"DTXSID7025635","Formula":"C7H8N2O2","All.Compound.Names":"N-methyl-4-nitroaniline|Dtxsid7025635|100-15-2","logHenry":-8.405,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.039,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.45,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.501,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.6,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-15-2"}
{"Compound":"1,4-diisopropylbenzene","CAS":"100-18-5","CAS.Checksum":true,"DTXSID":"DTXSID2026652","Formula":"C12H18","All.Compound.Names":"1,4-diisopropylbenzene|Dtxsid2026652","logHenry":-1.901,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.26,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9218,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.138,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.59,"MP.Reference":"EPA-CCD-OPERA","MW":162.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-18-5"}
{"Compound":"4-nitroacetophenone","CAS":"100-19-6","CAS.Checksum":true,"DTXSID":"DTXSID1025724","Formula":"C8H7NO3","All.Compound.Names":"4-nitroacetophenone|Dtxsid1025724|100-19-6","logHenry":-6.463,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.528,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.73,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.069,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.98,"MP.Reference":"EPA-CCD-OPERA","MW":165.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-19-6"}
{"Compound":"1,4-benzenedicarbonyl dichloride","CAS":"100-20-9","CAS.Checksum":true,"DTXSID":"DTXSID7026653","Formula":"C8H4Cl2O2","All.Compound.Names":"1,4-benzenedicarbonyl dichloride|Dtxsid7026653","logHenry":-5.232,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.059,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.76,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.423,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.6,"MP.Reference":"EPA-CCD-OPERA","MW":203,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-20-9"}
{"Compound":"Terephthalic acid","CAS":"100-21-0","CAS.Checksum":true,"DTXSID":"DTXSID6026080","Formula":"C8H6O4","All.Compound.Names":"Terephthalic acid|Dtxsid6026080|100-21-0","logHenry":-8.789,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.986,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.854,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.031,"logWSol.Reference":"EPA-CCD-OPERA","MP":284.7,"MP.Reference":"EPA-CCD-OPERA","MW":166.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-21-0"}
{"Compound":"N,n,n',n'-tetramethyl-p-phenylenediamine","CAS":"100-22-1","CAS.Checksum":true,"DTXSID":"DTXSID5026124","Formula":"C10H16N2","All.Compound.Names":"N,n,n',n'-tetramethyl-p-phenylenediamine|Dtxsid5026124|100-22-1","logHenry":-4.665,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6551,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.173,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.069,"logWSol.Reference":"EPA-CCD-OPERA","MP":51,"MP.Reference":"EPA-CCD-OPERA","MW":164.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-22-1"}
{"Compound":"1,4-dinitrobenzene","CAS":"100-25-4","CAS.Checksum":true,"DTXSID":"DTXSID0021836","Formula":"C6H4N2O4","All.Compound.Names":"1,4-dinitrobenzene|Dtxsid0021836","logHenry":-6.958,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.467,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.269,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.385,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.7,"MP.Reference":"EPA-CCD-OPERA","MW":168.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-25-4"}
{"Compound":"2-(4-nitrophenyl)ethanol","CAS":"100-27-6","CAS.Checksum":true,"DTXSID":"DTXSID7025764","Formula":"C8H9NO3","All.Compound.Names":"2-(4-nitrophenyl)ethanol|Dtxsid7025764|100-27-6","logHenry":-6.873,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.122,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.593,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.023,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.6,"MP.Reference":"EPA-CCD-OPERA","MW":167.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-27-6"}
{"Compound":"1-ethoxy-4-nitrobenzene","CAS":"100-29-8","CAS.Checksum":true,"DTXSID":"DTXSID7026655","Formula":"C8H9NO3","All.Compound.Names":"1-ethoxy-4-nitrobenzene|Dtxsid7026655|100-29-8","logHenry":-5.953,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.529,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.475,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.639,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.27,"MP.Reference":"EPA-CCD-OPERA","MW":167.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-29-8"}
{"Compound":"2-aminoethyldiethylamine","CAS":"100-36-7","CAS.Checksum":true,"DTXSID":"DTXSID7057606","Formula":"C6H16N2","All.Compound.Names":"2-aminoethyldiethylamine|Dtxsid7057606|100-36-7","logHenry":-4.855,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2102,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.713,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4818,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.2097,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-36-7"}
{"Compound":"N,n-diethylethanolamine","CAS":"100-37-8","CAS.Checksum":true,"DTXSID":"DTXSID5021837","Formula":"C6H15NO","All.Compound.Names":"N,n-diethylethanolamine|Dtxsid5021837|100-37-8","logHenry":-6.1,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3538,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.444,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9299,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.245,"MP.Reference":"EPA-CCD-OPERA","MW":117.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-37-8"}
{"Compound":"Alpha-bromotoluene","CAS":"100-39-0","CAS.Checksum":true,"DTXSID":"DTXSID8024658","Formula":"C7H7Br","All.Compound.Names":"Alpha-bromotoluene|Dtxsid8024658","logHenry":-2.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.922,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.392,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.813,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.499,"MP.Reference":"EPA-CCD-OPERA","MW":171,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-39-0"}
{"Compound":"4-vinylcyclohexene","CAS":"100-40-3","CAS.Checksum":true,"DTXSID":"DTXSID3021437","Formula":"C8H12","All.Compound.Names":"4-vinylcyclohexene|Dtxsid3021437","logHenry":-2.205,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.929,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4467,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.334,"logWSol.Reference":"EPA-CCD-OPERA","MP":-106.7,"MP.Reference":"EPA-CCD-OPERA","MW":108.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-40-3"}
{"Compound":"Ethylbenzene","CAS":"100-41-4","CAS.Checksum":true,"DTXSID":"DTXSID3020596","Formula":"C8H10","All.Compound.Names":"Ethylbenzene|Dtxsid3020596","logHenry":-2.105,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.15,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6209,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.785,"logWSol.Reference":"EPA-CCD-OPERA","MP":-91.25,"MP.Reference":"EPA-CCD-OPERA","MW":106.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10.12","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.1676","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"54.85","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.2568","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"100-41-4"}
{"Compound":"Styrene","CAS":"100-42-5","CAS.Checksum":true,"DTXSID":"DTXSID2021284","Formula":"C8H8","All.Compound.Names":"Styrene|Dtxsid2021284","logHenry":-2.561,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.95,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8323,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.676,"logWSol.Reference":"EPA-CCD-OPERA","MP":-30.15,"MP.Reference":"EPA-CCD-OPERA","MW":104.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"42.99","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.1801","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"233.1","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.2071","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"100-42-5"}
{"Compound":"4-vinylpyridine","CAS":"100-43-6","CAS.Checksum":true,"DTXSID":"DTXSID0051499","Formula":"C7H7N","All.Compound.Names":"4-vinylpyridine|Dtxsid0051499|100-43-6","logHenry":-4.994,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.287,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.582,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5542,"logWSol.Reference":"EPA-CCD-OPERA","MP":-49.03,"MP.Reference":"EPA-CCD-OPERA","MW":105.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-43-6"}
{"Compound":"Benzyl chloride","CAS":"100-44-7","CAS.Checksum":true,"DTXSID":"DTXSID0020153","Formula":"C7H7Cl","All.Compound.Names":"Benzyl chloride|Dtxsid0020153","logHenry":-2.535,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.302,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.854,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.315,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.01,"MP.Reference":"EPA-CCD-OPERA","MW":126.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-44-7"}
{"Compound":"Benzylamine","CAS":"100-46-9","CAS.Checksum":true,"DTXSID":"DTXSID5021839","Formula":"C7H9N","All.Compound.Names":"Benzylamine|Dtxsid5021839|100-46-9","logHenry":-5.706,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.091,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.672,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2828,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.84,"MP.Reference":"EPA-CCD-OPERA","MW":107.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-46-9"}
{"Compound":"Benzonitrile","CAS":"100-47-0","CAS.Checksum":true,"DTXSID":"DTXSID7021491","Formula":"C7H5N","All.Compound.Names":"Benzonitrile|Dtxsid7021491","logHenry":-4.444,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.56,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.731,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.355,"logWSol.Reference":"EPA-CCD-OPERA","MP":-12.61,"MP.Reference":"EPA-CCD-OPERA","MW":103.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-47-0"}
{"Compound":"4-pyridinecarbonitrile","CAS":"100-48-1","CAS.Checksum":true,"DTXSID":"DTXSID9041528","Formula":"C6H4N2","All.Compound.Names":"4-pyridinecarbonitrile|Dtxsid9041528|100-48-1","logHenry":-6.058,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4611,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.954,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4087,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.97,"MP.Reference":"EPA-CCD-OPERA","MW":104.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-48-1"}
{"Compound":"3-cyclohexene-1-carboxaldehyde","CAS":"100-50-5","CAS.Checksum":true,"DTXSID":"DTXSID1026661","Formula":"C7H10O","All.Compound.Names":"3-cyclohexene-1-carboxaldehyde|Dtxsid1026661","logHenry":-4.404,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8808,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.858,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.234,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.754,"MP.Reference":"EPA-CCD-OPERA","MW":110.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-50-5"}
{"Compound":"Benzyl alcohol","CAS":"100-51-6","CAS.Checksum":true,"DTXSID":"DTXSID5020152","Formula":"C7H8O","All.Compound.Names":"Benzyl alcohol|Dtxsid5020152|100-51-6","logHenry":-6.461,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.102,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.87,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.409,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.59,"MP.Reference":"EPA-CCD-OPERA","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-51-6"}
{"Compound":"Benzaldehyde","CAS":"100-52-7","CAS.Checksum":true,"DTXSID":"DTXSID8039241","Formula":"C7H6O","All.Compound.Names":"Benzaldehyde|Dtxsid8039241","logHenry":-4.573,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.474,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.411,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.203,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.57,"MP.Reference":"EPA-CCD-OPERA","MW":106.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-52-7"}
{"Compound":"Benzenemethanethiol","CAS":"100-53-8","CAS.Checksum":true,"DTXSID":"DTXSID6026664","Formula":"C7H8S","All.Compound.Names":"Benzenemethanethiol|Dtxsid6026664|100-53-8","logHenry":-3.56,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.447,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.511,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.85,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.82,"MP.Reference":"EPA-CCD-OPERA","MW":124.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-53-8"}
{"Compound":"Nicotinyl alcohol","CAS":"100-55-0","CAS.Checksum":true,"DTXSID":"DTXSID6023367","Formula":"C6H7NO","All.Compound.Names":"Nicotinyl alcohol|Dtxsid6023367|100-55-0","logHenry":-6.703,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.01937,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.056,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9598,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.99,"MP.Reference":"EPA-CCD-OPERA","MW":109.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-55-0"}
{"Compound":"Mercury, chlorophenyl-","CAS":"100-56-1","CAS.Checksum":true,"DTXSID":"DTXSID4042129","Formula":"C6H5ClHg","All.Compound.Names":"Mercury, chlorophenyl-|Phenylmercuric chloride","MW":313.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-56-1"}
{"Compound":"N-methylaniline","CAS":"100-61-8","CAS.Checksum":true,"DTXSID":"DTXSID9021841","Formula":"C7H9N","All.Compound.Names":"N-methylaniline|Dtxsid9021841|100-61-8","logHenry":-5.053,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.662,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.052,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.278,"logWSol.Reference":"EPA-CCD-OPERA","MP":-56.93,"MP.Reference":"EPA-CCD-OPERA","MW":107.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-61-8"}
{"Compound":"Phenylhydrazine","CAS":"100-63-0","CAS.Checksum":true,"DTXSID":"DTXSID8021147","Formula":"C6H8N2","All.Compound.Names":"Phenylhydrazine|Dtxsid8021147|100-63-0","logHenry":-7.299,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.25,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.106,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.06914,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.74,"MP.Reference":"EPA-CCD-OPERA","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-63-0"}
{"Compound":"Cyclohexanone oxime","CAS":"100-64-1","CAS.Checksum":true,"DTXSID":"DTXSID4021842","Formula":"C6H11NO","All.Compound.Names":"Cyclohexanone oxime|Dtxsid4021842|100-64-1","logHenry":-6.082,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8357,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.934,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8002,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.93,"MP.Reference":"EPA-CCD-OPERA","MW":113.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-64-1"}
{"Compound":"N-phenylhydroxylamine","CAS":"100-65-2","CAS.Checksum":true,"DTXSID":"DTXSID3025889","Formula":"C6H7NO","All.Compound.Names":"N-phenylhydroxylamine|Dtxsid3025889|100-65-2","logHenry":-6.836,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7919,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.803,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.588,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.58,"MP.Reference":"EPA-CCD-OPERA","MW":109.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.27","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-65-2"}
{"Compound":"2-vinylpyridine","CAS":"100-69-6","CAS.Checksum":true,"DTXSID":"DTXSID1026667","Formula":"C7H7N","All.Compound.Names":"2-vinylpyridine|Dtxsid1026667|100-69-6","logHenry":-4.995,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.54,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.329,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5797,"logWSol.Reference":"EPA-CCD-OPERA","MP":-43.72,"MP.Reference":"EPA-CCD-OPERA","MW":105.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-69-6"}
{"Compound":"2-pyridinecarbonitrile","CAS":"100-70-9","CAS.Checksum":true,"DTXSID":"DTXSID9021843","Formula":"C6H4N2","All.Compound.Names":"2-pyridinecarbonitrile|Dtxsid9021843|100-70-9","logHenry":-6.448,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.45,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.965,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2719,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.47,"MP.Reference":"EPA-CCD-OPERA","MW":104.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-70-9"}
{"Compound":"N-ethylmorpholine","CAS":"100-74-3","CAS.Checksum":true,"DTXSID":"DTXSID5025312","Formula":"C6H13NO","All.Compound.Names":"N-ethylmorpholine|Dtxsid5025312|100-74-3","logHenry":-5.022,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.01772,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.457,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9374,"logWSol.Reference":"EPA-CCD-OPERA","MP":-63.9,"MP.Reference":"EPA-CCD-OPERA","MW":115.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-74-3"}
{"Compound":"N-nitrosopiperidine","CAS":"100-75-4","CAS.Checksum":true,"DTXSID":"DTXSID8021060","Formula":"C5H10N2O","All.Compound.Names":"N-nitrosopiperidine|Dtxsid8021060|100-75-4","logHenry":-5.06,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3613,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.901,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.17,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.92,"MP.Reference":"EPA-CCD-OPERA","MW":114.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-75-4"}
{"Compound":"Quinuclidine","CAS":"100-76-5","CAS.Checksum":true,"DTXSID":"DTXSID2057607","Formula":"C7H13N","All.Compound.Names":"Quinuclidine|Dtxsid2057607|100-76-5","logHenry":-4.085,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.38,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.361,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2469,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.8,"MP.Reference":"EPA-CCD-OPERA","MW":111.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-76-5"}
{"Compound":"3-methylstyrene","CAS":"100-80-1","CAS.Checksum":true,"DTXSID":"DTXSID9051454","Formula":"C9H10","All.Compound.Names":"3-methylstyrene|Dtxsid9051454","logHenry":-2.523,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.66,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8319,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.121,"logWSol.Reference":"EPA-CCD-OPERA","MP":-52.98,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-80-1"}
{"Compound":"Benzyltrimethylammonium hydroxide","CAS":"100-85-6","CAS.Checksum":true,"DTXSID":"DTXSID3044332","Formula":"C10H17NO","All.Compound.Names":"Benzyltrimethylammonium hydroxide|Dtxsid3044332|100-85-6","logHenry":-1.424,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.001,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.426,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.069,"logWSol.Reference":"EPA-CCD-OPERA","MP":7.836,"MP.Reference":"EPA-CCD-OPERA","MW":167.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-85-6"}
{"Compound":"2-methyl-1-phenylpropan-2-ol","CAS":"100-86-7","CAS.Checksum":true,"DTXSID":"DTXSID1047601","Formula":"C10H14O","All.Compound.Names":"2-methyl-1-phenylpropan-2-ol|1,1-dimethylphenylethanol|Dtxsid1047601|100-86-7","logHenry":-6.213,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.981,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.473,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.046,"logWSol.Reference":"EPA-CCD-OPERA","MP":24,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-86-7"}
{"Compound":"Cyclamic acid","CAS":"100-88-9","CAS.Checksum":true,"DTXSID":"DTXSID5041809","Formula":"C6H13NO3S","All.Compound.Names":"Cyclamic acid|Dtxsid5041809|100-88-9","logHenry":-7.853,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.08281,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.717,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.08292,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.4,"MP.Reference":"EPA-CCD-OPERA","MW":179.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-88-9"}
{"Compound":"1,1,3,3,5,5,7,7-octamethyltetrasiloxane","CAS":"1000-05-1","CAS.Checksum":true,"DTXSID":"DTXSID8044759","Formula":"C8H26O3Si4","All.Compound.Names":"1,1,3,3,5,5,7,7-octamethyltetrasiloxane|Dtxsid8044759","logHenry":1.081,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.9,"logP.Reference":"EPA-CCD-OPERA","logPwa":-3.268,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.775,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.876,"MP.Reference":"EPA-CCD-OPERA","MW":282.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1000-05-1"}
{"Compound":"Pexantel","CAS":"10001-13-5","CAS.Checksum":true,"DTXSID":"DTXSID4046288","Formula":"C12H22N2O","All.Compound.Names":"Pexantel|Dtxsid4046288|10001-13-5","logHenry":-7.549,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.973,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.279,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.388,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.73,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10001-13-5"}
{"Compound":"Hymexazol","CAS":"10004-44-1","CAS.Checksum":true,"DTXSID":"DTXSID3032622","Formula":"C4H5NO2","All.Compound.Names":"Hymexazol|Dtxsid3032622|10004-44-1","logHenry":-7.041,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4552,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.277,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.09329,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.51,"MP.Reference":"EPA-CCD-OPERA","MW":99.09,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10004-44-1"}
{"Compound":"Alpha-cyclodextrin","CAS":"10016-20-3","CAS.Checksum":true,"DTXSID":"DTXSID7030698","Formula":"C36H60O30","All.Compound.Names":"Alpha-cyclodextrin|Dtxsid7030698|10016-20-3","logHenry":-10.57,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.449,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.09,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4097,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.2,"MP.Reference":"EPA-CCD-OPERA","MW":972.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10016-20-3"}
{"Compound":"1-chlorodecane","CAS":"1002-69-3","CAS.Checksum":true,"DTXSID":"DTXSID5027352","Formula":"C10H21Cl","All.Compound.Names":"1-chlorodecane|Dtxsid5027352","logHenry":-2.812,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.534,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.01838,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.719,"logWSol.Reference":"EPA-CCD-OPERA","MP":-31.37,"MP.Reference":"EPA-CCD-OPERA","MW":176.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1002-69-3"}
{"Compound":"Pentadecanoic acid","CAS":"1002-84-2","CAS.Checksum":true,"DTXSID":"DTXSID2021652","Formula":"C15H30O2","All.Compound.Names":"Pentadecanoic acid|Dtxsid2021652|1002-84-2","logHenry":-7.686,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.786,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.747,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.842,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.45,"MP.Reference":"EPA-CCD-OPERA","MW":242.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1002-84-2"}
{"Compound":"1,1-dimethoxyoctane","CAS":"10022-28-3","CAS.Checksum":true,"DTXSID":"DTXSID1047520","Formula":"C10H22O2","All.Compound.Names":"1,1-dimethoxyoctane|Dtxsid1047520","logHenry":-3.079,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.142,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.865,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.393,"logWSol.Reference":"EPA-CCD-OPERA","MP":-63.82,"MP.Reference":"EPA-CCD-OPERA","MW":174.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10022-28-3"}
{"Compound":"Barium nitrate","CAS":"10022-31-8","CAS.Checksum":true,"DTXSID":"DTXSID8049200","Formula":"BaN2O6","All.Compound.Names":"Barium nitrate","MW":261.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10022-31-8"}
{"Compound":"Aminoquinol","CAS":"10023-54-8","CAS.Checksum":true,"DTXSID":"DTXSID7046205","Formula":"C26H31Cl2N3","All.Compound.Names":"Aminoquinol|Dtxsid7046205|10023-54-8","logHenry":-8.457,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.243,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.043,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.057,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.1,"MP.Reference":"EPA-CCD-OPERA","MW":456.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10023-54-8"}
{"Compound":"Dysprosium(iii) chloride","CAS":"10025-74-8","CAS.Checksum":true,"DTXSID":"DTXSID8041909","Formula":"Cl3Dy","All.Compound.Names":"Dysprosium(iii) chloride","MW":268.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10025-74-8"}
{"Compound":"Indium trichloride","CAS":"10025-82-8","CAS.Checksum":true,"DTXSID":"DTXSID8033566","Formula":"Cl3In","All.Compound.Names":"Indium trichloride","MW":221.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10025-82-8"}
{"Compound":"Phosphoric trichloride","CAS":"10025-87-3","CAS.Checksum":true,"DTXSID":"DTXSID5029710","Formula":"Cl3OP","All.Compound.Names":"Phosphoric trichloride","MW":153.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10025-87-3"}
{"Compound":"Antimony trichloride","CAS":"10025-91-9","CAS.Checksum":true,"DTXSID":"DTXSID4044161","Formula":"Cl3Sb","All.Compound.Names":"Antimony trichloride","MW":228.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10025-91-9"}
{"Compound":"Phosphorus pentachloride","CAS":"10026-13-8","CAS.Checksum":true,"DTXSID":"DTXSID9033896","Formula":"Cl5P","All.Compound.Names":"Phosphorus pentachloride","MW":208.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10026-13-8"}
{"Compound":"Cobalt sulfate heptahydrate","CAS":"10026-24-1","CAS.Checksum":true,"DTXSID":"DTXSID7020340","Formula":"CoH14O11S","All.Compound.Names":"Cobalt sulfate heptahydrate","MW":281.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10026-24-1"}
{"Compound":"Irinotecan hydrochloride","CAS":"100286-90-6","CAS.Checksum":true,"DTXSID":"DTXSID6045953","Formula":"C33H39ClN4O6","All.Compound.Names":"Irinotecan hydrochloride|Dtxsid6045953|100286-90-6","logHenry":-8.503,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.517,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.051,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.773,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.8,"MP.Reference":"EPA-CCD-OPERA","MW":623.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100286-90-6"}
{"Compound":"Pemirolast potassium","CAS":"100299-08-9","CAS.Checksum":true,"DTXSID":"DTXSID7046623","Formula":"C10H7KN6O","All.Compound.Names":"Pemirolast potassium|Dtxsid7046623|100299-08-9","logHenry":-8.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7642,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.324,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.435,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.1,"MP.Reference":"EPA-CCD-OPERA","MW":266.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100299-08-9"}
{"Compound":"(e)-hexadec-9-enoic acid","CAS":"10030-73-6","CAS.Checksum":true,"DTXSID":"DTXSID7021603","Formula":"C16H30O2","All.Compound.Names":"(e)-hexadec-9-enoic acid|Dtxsid7021603|10030-73-6","logHenry":-8.381,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.619,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.256,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.995,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.6631,"MP.Reference":"EPA-CCD-OPERA","MW":254.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10030-73-6"}
{"Compound":"Hexyl 2-methylbutanoate","CAS":"10032-15-2","CAS.Checksum":true,"DTXSID":"DTXSID4047599","Formula":"C11H22O2","All.Compound.Names":"Hexyl 2-methylbutanoate|Dtxsid4047599","logHenry":-3.679,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.242,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.316,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.729,"logWSol.Reference":"EPA-CCD-OPERA","MP":-56.26,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10032-15-2"}
{"Compound":"Hydrazine sulfate","CAS":"10034-93-2","CAS.Checksum":true,"DTXSID":"DTXSID8020703","Formula":"H6N2O4S","All.Compound.Names":"Hydrazine sulfate","MW":130.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10034-93-2"}
{"Compound":"Picosulfate sodium","CAS":"10040-45-6","CAS.Checksum":true,"DTXSID":"DTXSID7048663","Formula":"C18H13NNa2O8S2","All.Compound.Names":"Picosulfate sodium|Dtxsid7048663|10040-45-6","logHenry":-8.724,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.141,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.438,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.66,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.3,"MP.Reference":"EPA-CCD-OPERA","MW":481.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10040-45-6"}
{"Compound":"2-propyl-1-heptanol","CAS":"10042-59-8","CAS.Checksum":true,"DTXSID":"DTXSID9029302","Formula":"C10H22O","All.Compound.Names":"2-propyl-1-heptanol|Dtxsid9029302|10042-59-8","logHenry":-4.662,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.048,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.695,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.055,"logWSol.Reference":"EPA-CCD-OPERA","MP":-35.02,"MP.Reference":"EPA-CCD-OPERA","MW":158.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10042-59-8"}
{"Compound":"Boric acid","CAS":"10043-35-3","CAS.Checksum":true,"DTXSID":"DTXSID1020194","Formula":"BH3O3","All.Compound.Names":"Boric acid|Boric acid (h3bo3)","MW":61.83,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10043-35-3"}
{"Compound":"Calcium chloride","CAS":"10043-52-4","CAS.Checksum":true,"DTXSID":"DTXSID5020235","Formula":"CaCl2","All.Compound.Names":"Calcium chloride","MW":111,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10043-52-4"}
{"Compound":"Pyrithioxin dihydrochloride","CAS":"10049-83-9","CAS.Checksum":true,"DTXSID":"DTXSID1046550","Formula":"C16H22Cl2N2O4S2","All.Compound.Names":"Pyrithioxin dihydrochloride|Dtxsid1046550|10049-83-9","logHenry":-9.856,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.023,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.46,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.83,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.1,"MP.Reference":"EPA-CCD-OPERA","MW":441.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10049-83-9"}
{"Compound":"N,n-diethyl-n-methylethanaminium chloride","CAS":"10052-47-8","CAS.Checksum":true,"DTXSID":"DTXSID0044498","Formula":"C7H18ClN","All.Compound.Names":"N,n-diethyl-n-methylethanaminium chloride|Dtxsid0044498|10052-47-8","logHenry":-0.6382,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.85,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.948,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.06912,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.2,"MP.Reference":"EPA-CCD-OPERA","MW":151.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10052-47-8"}
{"Compound":"(z)-dichloropropene","CAS":"10061-01-5","CAS.Checksum":true,"DTXSID":"DTXSID1032305","Formula":"C3H4Cl2","All.Compound.Names":"(z)-dichloropropene|Dtxsid1032305","logHenry":-2.626,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.04,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.062,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.747,"logWSol.Reference":"EPA-CCD-OPERA","MP":-49.85,"MP.Reference":"EPA-CCD-OPERA","MW":111,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10061-01-5"}
{"Compound":"Desloratadine","CAS":"100643-71-8","CAS.Checksum":true,"DTXSID":"DTXSID1044196","Formula":"C19H19ClN2","All.Compound.Names":"Desloratadine|Dtxsid1044196|100643-71-8","logHenry":-7.741,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.859,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.692,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.146,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.9,"MP.Reference":"EPA-CCD-OPERA","MW":310.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100643-71-8"}
{"Compound":"Cifenline succinate","CAS":"100678-32-8","CAS.Checksum":true,"DTXSID":"DTXSID0047820","Formula":"C22H24N2O4","All.Compound.Names":"Cifenline succinate|Dtxsid0047820|100678-32-8","logHenry":-9.5,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6818,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.814,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.268,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.6,"MP.Reference":"EPA-CCD-OPERA","MW":380.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100678-32-8"}
{"Compound":"Fenadiazole","CAS":"1008-65-7","CAS.Checksum":true,"DTXSID":"DTXSID7057608","Formula":"C8H6N2O2","All.Compound.Names":"Fenadiazole|Dtxsid7057608|1008-65-7","logHenry":-6.852,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.545,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.031,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.589,"logWSol.Reference":"EPA-CCD-OPERA","MP":111.5,"MP.Reference":"EPA-CCD-OPERA","MW":162.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1008-65-7"}
{"Compound":"Sodium 2-formylbenzenesulfonate","CAS":"1008-72-6","CAS.Checksum":true,"DTXSID":"DTXSID5041643","Formula":"C7H5NaO4S","All.Compound.Names":"Sodium 2-formylbenzenesulfonate|Dtxsid5041643|1008-72-6","logHenry":-6.939,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.693,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.02742,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.7,"MP.Reference":"EPA-CCD-OPERA","MW":208.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1008-72-6"}
{"Compound":"1,1-(1,4-phenylene)bis-ethanone","CAS":"1009-61-6","CAS.Checksum":true,"DTXSID":"DTXSID7021657","Formula":"C10H10O2","All.Compound.Names":"1,1-(1,4-phenylene)bis-ethanone|1,4-diacetylbenzene|Dtxsid7021657","logHenry":-5.785,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.342,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.407,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.252,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.79,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1009-61-6"}
{"Compound":"2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinane","CAS":"1009-93-4","CAS.Checksum":true,"DTXSID":"DTXSID4037748","Formula":"C6H21N3Si3","All.Compound.Names":"2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinane|2,2,4,4,6,6-hexamethylcyclotrisilazane|Dtxsid4037748|1009-93-4","logHenry":-6.784,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.561,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.334,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.9,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.994,"MP.Reference":"EPA-CCD-OPERA","MW":219.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.21","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1009-93-4"}
{"Compound":"1,1-dimethyl-2-phenylethyl butanoate","CAS":"10094-34-5","CAS.Checksum":true,"DTXSID":"DTXSID5038830","Formula":"C14H20O2","All.Compound.Names":"1,1-dimethyl-2-phenylethyl butanoate|Alpha,alpha-dimethylphenethyl butyrate|Dtxsid5038830","logHenry":-4.181,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.033,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.014,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.636,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.7,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10094-34-5"}
{"Compound":"Triphenyl phosphite","CAS":"101-02-0","CAS.Checksum":true,"DTXSID":"DTXSID0026252","Formula":"C18H15O3P","All.Compound.Names":"Triphenyl phosphite|Dtxsid0026252","logHenry":-5.411,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.076,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.672,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.452,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.11,"MP.Reference":"EPA-CCD-OPERA","MW":310.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-02-0"}
{"Compound":"Benzenesulfonic acid, 3-[(ethylphenylamino)methyl]-","CAS":"101-11-1","CAS.Checksum":true,"DTXSID":"DTXSID5029136","Formula":"C15H17NO3S","All.Compound.Names":"Benzenesulfonic acid, 3-[(ethylphenylamino)methyl]-|3-((ethylphenylamino)methyl)benzenesulfonic acid|Dtxsid5029136|101-11-1","logHenry":-9.19,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.996,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.468,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.862,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.5,"MP.Reference":"EPA-CCD-OPERA","MW":291.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-11-1"}
{"Compound":"4,4'-methylenebis(2-chloroaniline)","CAS":"101-14-4","CAS.Checksum":true,"DTXSID":"DTXSID5020865","Formula":"C13H12Cl2N2","All.Compound.Names":"4,4'-methylenebis(2-chloroaniline)|Dtxsid5020865|101-14-4","logHenry":-7.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.907,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.239,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.285,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.2,"MP.Reference":"EPA-CCD-OPERA","MW":267.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-14-4"}
{"Compound":"3-hydroxy-n-phenylaniline","CAS":"101-18-8","CAS.Checksum":true,"DTXSID":"DTXSID1025431","Formula":"C12H11NO","All.Compound.Names":"3-hydroxy-n-phenylaniline|Dtxsid1025431|101-18-8","logHenry":-7.43,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.973,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.395,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.76,"logWSol.Reference":"EPA-CCD-OPERA","MP":81.64,"MP.Reference":"EPA-CCD-OPERA","MW":185.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-18-8"}
{"Compound":"Triclocarban","CAS":"101-20-2","CAS.Checksum":true,"DTXSID":"DTXSID4026214","Formula":"C13H9Cl3N2O","All.Compound.Names":"Triclocarban|Dtxsid4026214|101-20-2","logHenry":-9.076,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.666,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.747,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.503,"logWSol.Reference":"EPA-CCD-OPERA","MP":255.5,"MP.Reference":"EPA-CCD-OPERA","MW":315.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9.45","Human.Clint.Reference":"Black 2021","Rat.Clint":"38.4","Rat.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"101-20-2"}
{"Compound":"Pyridostigmine bromide","CAS":"101-26-8","CAS.Checksum":true,"DTXSID":"DTXSID9023540","Formula":"C9H13BrN2O2","All.Compound.Names":"Pyridostigmine bromide|Dtxsid9023540|101-26-8","logHenry":-4.735,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.347,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.486,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8841,"logWSol.Reference":"EPA-CCD-OPERA","MP":153,"MP.Reference":"EPA-CCD-OPERA","MW":261.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-26-8"}
{"Compound":"Barban","CAS":"101-27-9","CAS.Checksum":true,"DTXSID":"DTXSID3041617","Formula":"C11H9Cl2NO2","All.Compound.Names":"Barban|Dtxsid3041617|101-27-9","logHenry":-8.798,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.005,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.693,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.362,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.09,"MP.Reference":"EPA-CCD-OPERA","MW":258.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-27-9"}
{"Compound":"Alpha-methyl cinnamaldehyde","CAS":"101-39-3","CAS.Checksum":true,"DTXSID":"DTXSID4025587","Formula":"C10H10O","All.Compound.Names":"Alpha-methyl cinnamaldehyde|2-methylcinnamic aldehyde|Dtxsid4025587","logHenry":-5.479,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.215,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.994,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.693,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.78,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-39-3"}
{"Compound":"Propylhexedrine","CAS":"101-40-6","CAS.Checksum":true,"DTXSID":"DTXSID1023526","Formula":"C10H21N","All.Compound.Names":"Propylhexedrine|(+/-) propylhexedrine|Dtxsid1023526|101-40-6","logHenry":-4.228,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.854,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.248,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.14,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.34,"MP.Reference":"EPA-CCD-OPERA","MW":155.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-40-6"}
{"Compound":"Methyl phenylacetate","CAS":"101-41-7","CAS.Checksum":true,"DTXSID":"DTXSID1044352","Formula":"C9H10O2","All.Compound.Names":"Methyl phenylacetate|Dtxsid1044352","logHenry":-6.393,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.84,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.991,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.14,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.317,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.8006,0,1","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"101-41-7"}
{"Compound":"(2,2-dimethoxyethyl)benzene","CAS":"101-48-4","CAS.Checksum":true,"DTXSID":"DTXSID3047001","Formula":"C10H14O2","All.Compound.Names":"(2,2-dimethoxyethyl)benzene|Phenylacetaldehyde dimethyl acetal|Dtxsid3047001","logHenry":-4.41,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.775,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.307,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.719,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.5,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-48-4"}
{"Compound":"4-benzylphenol","CAS":"101-53-1","CAS.Checksum":true,"DTXSID":"DTXSID9047962","Formula":"C13H12O","All.Compound.Names":"4-benzylphenol|Dtxsid9047962|101-53-1","logHenry":-6.906,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.469,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.824,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.399,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.42,"MP.Reference":"EPA-CCD-OPERA","MW":184.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-53-1"}
{"Compound":"P-bromodiphenyl ether","CAS":"101-55-3","CAS.Checksum":true,"DTXSID":"DTXSID8023927","Formula":"C12H9BrO","All.Compound.Names":"P-bromodiphenyl ether|Dtxsid8023927","logHenry":-3.848,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.876,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.581,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.197,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.95,"MP.Reference":"EPA-CCD-OPERA","MW":249.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-55-3"}
{"Compound":"1,1'-oxybis(4-nitrobenzene)","CAS":"101-63-3","CAS.Checksum":true,"DTXSID":"DTXSID0026676","Formula":"C12H8N2O5","All.Compound.Names":"1,1'-oxybis(4-nitrobenzene)|Dtxsid0026676|101-63-3","logHenry":-6.576,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.359,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.066,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.237,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.2,"MP.Reference":"EPA-CCD-OPERA","MW":260.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-63-3"}
{"Compound":"4,4'-dioctyldiphenylamine","CAS":"101-67-7","CAS.Checksum":true,"DTXSID":"DTXSID3025170","Formula":"C28H43N","All.Compound.Names":"4,4'-dioctyldiphenylamine|Dtxsid3025170|101-67-7","logHenry":-7.228,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.504,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7405,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.547,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.87,"MP.Reference":"EPA-CCD-OPERA","MW":393.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-67-7"}
{"Compound":"4,4'-diphenylmethane diisocyanate","CAS":"101-68-8","CAS.Checksum":true,"DTXSID":"DTXSID7025180","Formula":"C15H10N2O2","All.Compound.Names":"4,4'-diphenylmethane diisocyanate|Dtxsid7025180|101-68-8","logHenry":-5.725,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.86,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.712,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.496,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.4,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-68-8"}
{"Compound":"4,4'-dimethoxydiphenylamine","CAS":"101-70-2","CAS.Checksum":true,"DTXSID":"DTXSID3025093","Formula":"C14H15NO2","All.Compound.Names":"4,4'-dimethoxydiphenylamine|Dtxsid3025093|101-70-2","logHenry":-6.847,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.713,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.898,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.031,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.9,"MP.Reference":"EPA-CCD-OPERA","MW":229.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-70-2"}
{"Compound":"Diphenan","CAS":"101-71-3","CAS.Checksum":true,"DTXSID":"DTXSID4046234","Formula":"C14H13NO2","All.Compound.Names":"Diphenan|Dtxsid4046234|101-71-3","logHenry":-9.514,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.848,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.35,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.451,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.5,"MP.Reference":"EPA-CCD-OPERA","MW":227.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-71-3"}
{"Compound":"N-isopropyl-n'-phenyl-p-phenylenediamine","CAS":"101-72-4","CAS.Checksum":true,"DTXSID":"DTXSID1025485","Formula":"C15H18N2","All.Compound.Names":"N-isopropyl-n'-phenyl-p-phenylenediamine|Dtxsid1025485|101-72-4","logHenry":-6.966,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.233,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.881,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.873,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.03,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-72-4"}
{"Compound":"4-chloro-4'-aminodiphenyl ether","CAS":"101-79-1","CAS.Checksum":true,"DTXSID":"DTXSID1020275","Formula":"C12H10ClNO","All.Compound.Names":"4-chloro-4'-aminodiphenyl ether|[4-(4-chlorophenoxy)phenyl]amine|Dtxsid1020275|101-79-1","logHenry":-7.193,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.957,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.571,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.128,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.65,"MP.Reference":"EPA-CCD-OPERA","MW":219.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-79-1"}
{"Compound":"Diphenylmethane","CAS":"101-81-5","CAS.Checksum":true,"DTXSID":"DTXSID1041891","Formula":"C13H12","All.Compound.Names":"Diphenylmethane|Dtxsid1041891","logHenry":-3.286,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.141,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.206,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.106,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.85,"MP.Reference":"EPA-CCD-OPERA","MW":168.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-81-5"}
{"Compound":"Dicyclohexylamine","CAS":"101-83-7","CAS.Checksum":true,"DTXSID":"DTXSID6025018","Formula":"C12H23N","All.Compound.Names":"Dicyclohexylamine|Dtxsid6025018|101-83-7","logHenry":-4.576,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.775,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.746,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.305,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.08698,"MP.Reference":"EPA-CCD-OPERA","MW":181.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-83-7"}
{"Compound":"Diphenyl oxide","CAS":"101-84-8","CAS.Checksum":true,"DTXSID":"DTXSID9021847","Formula":"C12H10O","All.Compound.Names":"Diphenyl oxide|Dtxsid9021847","logHenry":-4.065,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.13,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.98,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.877,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.15,"MP.Reference":"EPA-CCD-OPERA","MW":170.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-84-8"}
{"Compound":"Alpha-amylcinnamyl alcohol","CAS":"101-85-9","CAS.Checksum":true,"DTXSID":"DTXSID2049393","Formula":"C14H20O","All.Compound.Names":"Alpha-amylcinnamyl alcohol|Dtxsid2049393|101-85-9","logHenry":-6.094,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.681,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.213,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.475,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.36,"MP.Reference":"EPA-CCD-OPERA","MW":204.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-85-9"}
{"Compound":"Diglycidyl resorcinol ether","CAS":"101-90-6","CAS.Checksum":true,"DTXSID":"DTXSID2020470","Formula":"C12H14O4","All.Compound.Names":"Diglycidyl resorcinol ether|Dtxsid2020470","logHenry":-5.946,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.703,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.731,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.42,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.85,"MP.Reference":"EPA-CCD-OPERA","MW":222.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-90-6"}
{"Compound":"Phenacaine","CAS":"101-93-9","CAS.Checksum":true,"DTXSID":"DTXSID0046062","Formula":"C18H22N2O2","All.Compound.Names":"Phenacaine|Dtxsid0046062|101-93-9","logHenry":-9.381,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.121,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.915,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.963,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.5,"MP.Reference":"EPA-CCD-OPERA","MW":298.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-93-9"}
{"Compound":"N,n'-bis(1-methylpropyl)-1,4-benzenediamine","CAS":"101-96-2","CAS.Checksum":true,"DTXSID":"DTXSID7024956","Formula":"C14H24N2","All.Compound.Names":"N,n'-bis(1-methylpropyl)-1,4-benzenediamine|Dtxsid7024956|101-96-2","logHenry":-6.109,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.732,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.447,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.726,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.08,"MP.Reference":"EPA-CCD-OPERA","MW":220.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-96-2"}
{"Compound":"Ethyl phenylacetate","CAS":"101-97-3","CAS.Checksum":true,"DTXSID":"DTXSID6044353","Formula":"C10H12O2","All.Compound.Names":"Ethyl phenylacetate|Dtxsid6044353|Benzeneacetic acid, ethyl ester","logHenry":-3.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.284,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.948,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.345,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.12,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-97-3"}
{"Compound":"Pamicogrel","CAS":"101001-34-7","CAS.Checksum":true,"DTXSID":"DTXSID4048804","Formula":"C25H24N2O4S","All.Compound.Names":"Pamicogrel|Dtxsid4048804|101001-34-7","logHenry":-6.92,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.774,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.904,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.141,"logWSol.Reference":"EPA-CCD-OPERA","MP":134,"MP.Reference":"EPA-CCD-OPERA","MW":448.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101001-34-7"}
{"Compound":"Nickel(ii) sulfate hexahydrate","CAS":"10101-97-0","CAS.Checksum":true,"DTXSID":"DTXSID7020928","Formula":"H12NiO10S","All.Compound.Names":"Nickel(ii) sulfate hexahydrate","MW":262.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10101-97-0"}
{"Compound":"Sodium selenite","CAS":"10102-18-8","CAS.Checksum":true,"DTXSID":"DTXSID0032077","Formula":"Na2O3Se","All.Compound.Names":"Sodium selenite","MW":172.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10102-18-8"}
{"Compound":"Thallium nitrate","CAS":"10102-45-1","CAS.Checksum":true,"DTXSID":"DTXSID1024334","Formula":"NO3Tl","All.Compound.Names":"Thallium nitrate","MW":266.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10102-45-1"}
{"Compound":"Cadmium chloride","CAS":"10108-64-2","CAS.Checksum":true,"DTXSID":"DTXSID6020226","Formula":"CdCl2","All.Compound.Names":"Cadmium chloride","MW":183.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10108-64-2"}
{"Compound":"Milnacipran hydrochloride","CAS":"101152-94-7","CAS.Checksum":true,"DTXSID":"DTXSID4046785","Formula":"C15H23ClN2O","All.Compound.Names":"Milnacipran hydrochloride|Dtxsid4046785|101152-94-7","logHenry":-9.517,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4663,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.04,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.831,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.2,"MP.Reference":"EPA-CCD-OPERA","MW":282.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101152-94-7"}
{"Compound":"Tribenuron-methyl","CAS":"101200-48-0","CAS.Checksum":true,"DTXSID":"DTXSID8024101","Formula":"C15H17N5O6S","All.Compound.Names":"Tribenuron-methyl|Dtxsid8024101|101200-48-0","logHenry":-12.99,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.86,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.429,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.36,"logWSol.Reference":"EPA-CCD-OPERA","MP":141,"MP.Reference":"EPA-CCD-OPERA","MW":395.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101200-48-0"}
{"Compound":"Calcium nitrate","CAS":"10124-37-5","CAS.Checksum":true,"DTXSID":"DTXSID1039719","Formula":"CaN2O6","All.Compound.Names":"Calcium nitrate|Nitric acid, calcium salt (2:1)","MW":164.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10124-37-5"}
{"Compound":"Valnemulin","CAS":"101312-92-9","CAS.Checksum":true,"DTXSID":"DTXSID2046751","Formula":"C31H52N2O5S","All.Compound.Names":"Valnemulin|Dtxsid2046751|101312-92-9","logHenry":-11.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.862,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.622,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.751,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.5,"MP.Reference":"EPA-CCD-OPERA","MW":564.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101312-92-9"}
{"Compound":"Simetryn","CAS":"1014-70-6","CAS.Checksum":true,"DTXSID":"DTXSID8037596","Formula":"C8H15N5S","All.Compound.Names":"Simetryn|Dtxsid8037596|1014-70-6","logHenry":-7.735,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.798,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.224,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.681,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.1,"MP.Reference":"EPA-CCD-OPERA","MW":213.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1014-70-6"}
{"Compound":"Flufenoxuron","CAS":"101463-69-8","CAS.Checksum":true,"DTXSID":"DTXSID1041978","Formula":"C21H11ClF6N2O3","All.Compound.Names":"Flufenoxuron|Dtxsid1041978|101463-69-8","logHenry":-10.92,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.722,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.88,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.217,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.4,"MP.Reference":"EPA-CCD-OPERA","MW":488.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101463-69-8"}
{"Compound":"Dodecane-1-sulfonyl chloride","CAS":"10147-40-7","CAS.Checksum":true,"DTXSID":"DTXSID7044500","Formula":"C12H25ClO2S","All.Compound.Names":"Dodecane-1-sulfonyl chloride|Dtxsid7044500","logHenry":-5.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.508,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.268,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.049,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.91,"MP.Reference":"EPA-CCD-OPERA","MW":268.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10147-40-7"}
{"Compound":"Lomerizine dihydrochloride","CAS":"101477-54-7","CAS.Checksum":true,"DTXSID":"DTXSID1046427","Formula":"C27H32Cl2F2N2O3","All.Compound.Names":"Lomerizine dihydrochloride|Dtxsid1046427|101477-54-7","logHenry":-6.718,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.031,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.653,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.36,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.4,"MP.Reference":"EPA-CCD-OPERA","MW":541.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101477-54-7"}
{"Compound":"Sematilide monohydrochloride","CAS":"101526-62-9","CAS.Checksum":true,"DTXSID":"DTXSID6049016","Formula":"C14H24ClN3O3S","All.Compound.Names":"Sematilide monohydrochloride|Dtxsid6049016|101526-62-9","logHenry":-10.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3585,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.938,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.727,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.5,"MP.Reference":"EPA-CCD-OPERA","MW":349.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101526-62-9"}
{"Compound":"Lanoconazole","CAS":"101530-10-3","CAS.Checksum":true,"DTXSID":"DTXSID6046428","Formula":"C14H10ClN3S2","All.Compound.Names":"Lanoconazole|Dtxsid6046428|101530-10-3","logHenry":-7.391,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.173,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.402,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.814,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.8,"MP.Reference":"EPA-CCD-OPERA","MW":319.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101530-10-3"}
{"Compound":"Trenbolone acetate","CAS":"10161-34-9","CAS.Checksum":true,"DTXSID":"DTXSID2046626","Formula":"C20H24O3","All.Compound.Names":"Trenbolone acetate|Dtxsid2046626","logHenry":-5.009,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.744,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.995,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.162,"logWSol.Reference":"EPA-CCD-OPERA","MP":130,"MP.Reference":"EPA-CCD-OPERA","MW":312.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10161-34-9"}
{"Compound":"Talipexole","CAS":"101626-70-4","CAS.Checksum":true,"DTXSID":"DTXSID8046321","Formula":"C10H15N3S","All.Compound.Names":"Talipexole|Dtxsid8046321|101626-70-4","logHenry":-9.231,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.478,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.696,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.097,"logWSol.Reference":"EPA-CCD-OPERA","MP":115.9,"MP.Reference":"EPA-CCD-OPERA","MW":209.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101626-70-4"}
{"Compound":"Pyrrolnitrin","CAS":"1018-71-9","CAS.Checksum":true,"DTXSID":"DTXSID9046867","Formula":"C10H6Cl2N2O2","All.Compound.Names":"Pyrrolnitrin|Dtxsid9046867|1018-71-9","logHenry":-8.673,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.171,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.016,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.582,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.5,"MP.Reference":"EPA-CCD-OPERA","MW":257.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1018-71-9"}
{"Compound":"Butenafine hydrochloride","CAS":"101827-46-7","CAS.Checksum":true,"DTXSID":"DTXSID2048589","Formula":"C23H28ClN","All.Compound.Names":"Butenafine hydrochloride|Dtxsid2048589|101827-46-7","logHenry":-6.722,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.256,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.424,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.501,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.8,"MP.Reference":"EPA-CCD-OPERA","MW":353.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101827-46-7"}
{"Compound":"Butenafine","CAS":"101828-21-1","CAS.Checksum":true,"DTXSID":"DTXSID7040657","Formula":"C23H27N","All.Compound.Names":"Butenafine|Dtxsid7040657|101828-21-1","logHenry":-6.722,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.876,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.803,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.501,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.79,"MP.Reference":"EPA-CCD-OPERA","MW":317.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101828-21-1"}
{"Compound":"Diclazuril","CAS":"101831-37-2","CAS.Checksum":true,"DTXSID":"DTXSID4046787","Formula":"C17H9Cl3N4O2","All.Compound.Names":"Diclazuril|Dtxsid4046787|101831-37-2","logHenry":-10.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.219,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.06,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.607,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.8,"MP.Reference":"EPA-CCD-OPERA","MW":407.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101831-37-2"}
{"Compound":"Aristolochic acid, sodium salt (77% aa i, 21% aa ii)","CAS":"10190-99-5","CAS.Checksum":true,"DTXSID":"DTXSID3020099","Formula":"C17H10NNaO7","All.Compound.Names":"Aristolochic acid, sodium salt (77% aa i, 21% aa ii)|Sodium aristolochate-i|Dtxsid3020099|10190-99-5","logHenry":-10.37,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8146,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.43,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.772,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.3,"MP.Reference":"EPA-CCD-OPERA","MW":363.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10190-99-5"}
{"Compound":"Esonarimod","CAS":"101973-77-7","CAS.Checksum":true,"DTXSID":"DTXSID9048805","Formula":"C14H16O4S","All.Compound.Names":"Esonarimod|Dtxsid9048805|101973-77-7","logHenry":-9.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.994,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.911,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.855,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.9,"MP.Reference":"EPA-CCD-OPERA","MW":280.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101973-77-7"}
{"Compound":"Zardaverine","CAS":"101975-10-4","CAS.Checksum":true,"DTXSID":"DTXSID8042559","Formula":"C12H10F2N2O3","All.Compound.Names":"Zardaverine|Dtxsid8042559|101975-10-4","logHenry":-9.061,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.782,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.475,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.805,"logWSol.Reference":"EPA-CCD-OPERA","MP":119.3,"MP.Reference":"EPA-CCD-OPERA","MW":268.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101975-10-4"}
{"Compound":"Acetoacetanilide","CAS":"102-01-2","CAS.Checksum":true,"DTXSID":"DTXSID0024397","Formula":"C10H11NO2","All.Compound.Names":"Acetoacetanilide|Dtxsid0024397|102-01-2","logHenry":-9.253,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.184,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.722,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.926,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.26,"MP.Reference":"EPA-CCD-OPERA","MW":177.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-01-2"}
{"Compound":"Dibemethine","CAS":"102-05-6","CAS.Checksum":true,"DTXSID":"DTXSID4046238","Formula":"C15H17N","All.Compound.Names":"Dibemethine|N,n-dibenzylmethylamine|Dtxsid4046238|102-05-6","logHenry":-4.503,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.623,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.902,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.796,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.37,"MP.Reference":"EPA-CCD-OPERA","MW":211.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-05-6"}
{"Compound":"Diphenylurea","CAS":"102-07-8","CAS.Checksum":true,"DTXSID":"DTXSID2025183","Formula":"C13H12N2O","All.Compound.Names":"Diphenylurea|1,3-diphenylurea|Dtxsid2025183|102-07-8","logHenry":-9.721,"logHenry.Reference":"EPA-CCD-OPERA","logP":3,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.139,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.15,"logWSol.Reference":"EPA-CCD-OPERA","MP":238.9,"MP.Reference":"EPA-CCD-OPERA","MW":212.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-07-8"}
{"Compound":"Thiocarbanilide","CAS":"102-08-9","CAS.Checksum":true,"DTXSID":"DTXSID4026139","Formula":"C13H12N2S","All.Compound.Names":"Thiocarbanilide|Dtxsid4026139|102-08-9","logHenry":-9.313,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.601,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.418,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.658,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.6,"MP.Reference":"EPA-CCD-OPERA","MW":228.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-08-9"}
{"Compound":"Diphenylcarbonate","CAS":"102-09-0","CAS.Checksum":true,"DTXSID":"DTXSID3020540","Formula":"C13H10O3","All.Compound.Names":"Diphenylcarbonate|Dtxsid3020540","logHenry":-6.723,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.28,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.788,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.612,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.89,"MP.Reference":"EPA-CCD-OPERA","MW":214.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-09-0"}
{"Compound":"Benzyl phenylacetate","CAS":"102-16-9","CAS.Checksum":true,"DTXSID":"DTXSID6024597","Formula":"C15H14O2","All.Compound.Names":"Benzyl phenylacetate|Dtxsid6024597","logHenry":-7.916,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.706,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.072,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.071,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.41,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-16-9"}
{"Compound":"2-phenylethyl phenylacetate","CAS":"102-20-5","CAS.Checksum":true,"DTXSID":"DTXSID0044494","Formula":"C16H16O2","All.Compound.Names":"2-phenylethyl phenylacetate|Dtxsid0044494","logHenry":-7.734,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.603,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.573,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.539,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.04,"MP.Reference":"EPA-CCD-OPERA","MW":240.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"57.48","Human.Clint.Reference":"Paini 2020","Chemical.Class":"","_row":"102-20-5"}
{"Compound":"3-aminoacetanilide","CAS":"102-28-3","CAS.Checksum":true,"DTXSID":"DTXSID2024454","Formula":"C8H10N2O","All.Compound.Names":"3-aminoacetanilide|Dtxsid2024454|102-28-3","logHenry":-9.059,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4629,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.613,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.256,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.4,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-28-3"}
{"Compound":"Resorcinol monoacetate","CAS":"102-29-4","CAS.Checksum":true,"DTXSID":"DTXSID6045901","Formula":"C8H8O3","All.Compound.Names":"Resorcinol monoacetate|Dtxsid6045901|102-29-4","logHenry":-8.545,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.234,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.171,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.585,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.2,"MP.Reference":"EPA-CCD-OPERA","MW":152.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-29-4"}
{"Compound":"3,4-dichlorophenyl isocyanate","CAS":"102-36-3","CAS.Checksum":true,"DTXSID":"DTXSID9033008","Formula":"C7H3Cl2NO","All.Compound.Names":"3,4-dichlorophenyl isocyanate|Dtxsid9033008|102-36-3","logHenry":-6.015,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.331,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.258,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.952,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.95,"MP.Reference":"EPA-CCD-OPERA","MW":188,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-36-3"}
{"Compound":"2,2'-[benzene-1,3-diylbis(oxy)]diethanol","CAS":"102-40-9","CAS.Checksum":true,"DTXSID":"DTXSID7044502","Formula":"C10H14O4","All.Compound.Names":"2,2'-[benzene-1,3-diylbis(oxy)]diethanol|Dtxsid7044502|102-40-9","logHenry":-6.649,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.007,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.563,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.32,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-40-9"}
{"Compound":"4-methoxy-2-methylaniline","CAS":"102-50-1","CAS.Checksum":true,"DTXSID":"DTXSID2020349","Formula":"C8H11NO","All.Compound.Names":"4-methoxy-2-methylaniline|Dtxsid2020349|102-50-1","logHenry":-6.646,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.23,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.208,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.4,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.75,"MP.Reference":"EPA-CCD-OPERA","MW":137.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-50-1"}
{"Compound":"Ferrocene","CAS":"102-54-5","CAS.Checksum":true,"DTXSID":"DTXSID9025326","Formula":"C10H10Fe","All.Compound.Names":"Ferrocene","MW":186,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-54-5"}
{"Compound":"Triallylamine","CAS":"102-70-5","CAS.Checksum":true,"DTXSID":"DTXSID5026174","Formula":"C9H15N","All.Compound.Names":"Triallylamine|Dtxsid5026174|102-70-5","logHenry":-3.701,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.59,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.379,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.741,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.49,"MP.Reference":"EPA-CCD-OPERA","MW":137.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-70-5"}
{"Compound":"Triethanolamine","CAS":"102-71-6","CAS.Checksum":true,"DTXSID":"DTXSID9021392","Formula":"C6H15NO3","All.Compound.Names":"Triethanolamine|Dtxsid9021392|102-71-6","logHenry":-10.23,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.001,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.259,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8263,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.53,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-71-6"}
{"Compound":"N-oxydiethylenebenzothiazole-2-sulfenamide","CAS":"102-77-2","CAS.Checksum":true,"DTXSID":"DTXSID0021096","Formula":"C11H12N2OS2","All.Compound.Names":"N-oxydiethylenebenzothiazole-2-sulfenamide|N-oxydiethylene-2-benzothiazylsulfenamide|Dtxsid0021096|102-77-2","logHenry":-5.641,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.327,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.643,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.669,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.04,"MP.Reference":"EPA-CCD-OPERA","MW":252.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-77-2"}
{"Compound":"N-butyldiethanolamine","CAS":"102-79-4","CAS.Checksum":true,"DTXSID":"DTXSID1044354","Formula":"C8H19NO2","All.Compound.Names":"N-butyldiethanolamine|N-butyl diethanolamine|Dtxsid1044354|102-79-4","logHenry":-8.525,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7399,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.033,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.637,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.078,"MP.Reference":"EPA-CCD-OPERA","MW":161.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.119","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"1,0,1","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"102-79-4"}
{"Compound":"2-(dibutylamino)ethanol","CAS":"102-81-8","CAS.Checksum":true,"DTXSID":"DTXSID2024953","Formula":"C10H23NO","All.Compound.Names":"2-(dibutylamino)ethanol|2-n-dibutylaminoethanol|Dtxsid2024953|102-81-8","logHenry":-4.897,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.649,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.066,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.638,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.71,"MP.Reference":"EPA-CCD-OPERA","MW":173.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-81-8"}
{"Compound":"Tributylamine","CAS":"102-82-9","CAS.Checksum":true,"DTXSID":"DTXSID4026183","Formula":"C12H27N","All.Compound.Names":"Tributylamine|Dtxsid4026183|102-82-9","logHenry":-2.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.05,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.679,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.115,"logWSol.Reference":"EPA-CCD-OPERA","MP":-69.39,"MP.Reference":"EPA-CCD-OPERA","MW":185.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-82-9"}
{"Compound":"Tributyl phosphite","CAS":"102-85-2","CAS.Checksum":true,"DTXSID":"DTXSID7051474","Formula":"C12H27O3P","All.Compound.Names":"Tributyl phosphite|Dtxsid7051474","logHenry":-5.758,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.664,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.215,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.812,"logWSol.Reference":"EPA-CCD-OPERA","MP":-79.95,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-85-2"}
{"Compound":"Tridodecylamine","CAS":"102-87-4","CAS.Checksum":true,"DTXSID":"DTXSID8047056","Formula":"C36H75N","All.Compound.Names":"Tridodecylamine|N,n-didodecyl-1-dodecanamine|Dtxsid8047056|102-87-4","logHenry":-6.119,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.491,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.186,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.1,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.88,"MP.Reference":"EPA-CCD-OPERA","MW":522,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-87-4"}
{"Compound":"Beta-nitrostyrene","CAS":"102-96-5","CAS.Checksum":true,"DTXSID":"DTXSID0025789","Formula":"C8H7NO2","All.Compound.Names":"Beta-nitrostyrene|Dtxsid0025789","logHenry":-5.102,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.111,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.328,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.373,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.068,"MP.Reference":"EPA-CCD-OPERA","MW":149.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-96-5"}
{"Compound":"Phenylmercuric borate","CAS":"102-98-7","CAS.Checksum":true,"DTXSID":"DTXSID5046308","Formula":"C6H7BHgO3","All.Compound.Names":"Phenylmercuric borate|Phenylmercury borate","MW":338.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-98-7"}
{"Compound":"Am580","CAS":"102121-60-8","CAS.Checksum":true,"DTXSID":"DTXSID5040758","Formula":"C22H25NO3","All.Compound.Names":"Am580|Dtxsid5040758|102121-60-8","logHenry":-11.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.653,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.827,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.868,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.1,"MP.Reference":"EPA-CCD-OPERA","MW":351.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102121-60-8"}
{"Compound":"3-((2-ethylhexyl)oxy)propionitrile","CAS":"10213-75-9","CAS.Checksum":true,"DTXSID":"DTXSID6025303","Formula":"C11H21NO","All.Compound.Names":"3-((2-ethylhexyl)oxy)propionitrile|Dtxsid6025303","logHenry":-4.004,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.816,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.948,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.546,"logWSol.Reference":"EPA-CCD-OPERA","MP":-28.74,"MP.Reference":"EPA-CCD-OPERA","MW":183.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10213-75-9"}
{"Compound":"Triethoxy[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethyl]silane","CAS":"10217-34-2","CAS.Checksum":true,"DTXSID":"DTXSID7044762","Formula":"C14H28O4Si","All.Compound.Names":"Triethoxy[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethyl]silane|2-(3,4-epoxycyclohexyl)ethyltriethoxy silane|Dtxsid7044762","logHenry":-5.888,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.344,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.101,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.524,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.06,"MP.Reference":"EPA-CCD-OPERA","MW":288.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10217-34-2"}
{"Compound":"Lorglumide sodium","CAS":"1021868-76-7","CAS.Checksum":true,"DTXSID":"DTXSID8045228","Formula":"C22H31Cl2N2NaO4","All.Compound.Names":"Lorglumide sodium|Dtxsid8045228|1021868-76-7","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.337,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.307,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.124,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.5,"MP.Reference":"EPA-CCD-OPERA","MW":481.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1021868-76-7"}
{"Compound":"Benazoline oxalate","CAS":"1021868-82-5","CAS.Checksum":true,"DTXSID":"DTXSID5045758","Formula":"C15H14N2O4","All.Compound.Names":"Benazoline oxalate|2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1h-imidazole;oxalic acid|Dtxsid5045758|1021868-82-5","logHenry":-7.741,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3275,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.772,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.455,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.2,"MP.Reference":"EPA-CCD-OPERA","MW":286.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1021868-82-5"}
{"Compound":"2,2-dibromo-3-nitrilopropionamide","CAS":"10222-01-2","CAS.Checksum":true,"DTXSID":"DTXSID5032361","Formula":"C3H2Br2N2O","All.Compound.Names":"2,2-dibromo-3-nitrilopropionamide|Dtxsid5032361|10222-01-2","logHenry":-8.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8197,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.918,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.206,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.5,"MP.Reference":"EPA-CCD-OPERA","MW":241.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10222-01-2"}
{"Compound":"5-ethyl-2,3-pyridinedicarboxylic acid","CAS":"102268-15-5","CAS.Checksum":true,"DTXSID":"DTXSID8029072","Formula":"C9H9NO4","All.Compound.Names":"5-ethyl-2,3-pyridinedicarboxylic acid|Dtxsid8029072|102268-15-5","logHenry":-9.238,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.224,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.857,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.901,"logWSol.Reference":"EPA-CCD-OPERA","MP":262.2,"MP.Reference":"EPA-CCD-OPERA","MW":195.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102268-15-5"}
{"Compound":"Tramazoline tosylate","CAS":"102280-49-9","CAS.Checksum":true,"DTXSID":"DTXSID1045112","Formula":"C20H25N3O3S","All.Compound.Names":"Tramazoline tosylate|Dtxsid1045112|102280-49-9","logHenry":-9.217,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8162,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.308,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.941,"logWSol.Reference":"EPA-CCD-OPERA","MP":160,"MP.Reference":"EPA-CCD-OPERA","MW":387.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102280-49-9"}
{"Compound":"Af-dx 116","CAS":"102394-31-0","CAS.Checksum":true,"DTXSID":"DTXSID0045674","Formula":"C24H31N5O2","All.Compound.Names":"Af-dx 116|Dtxsid0045674|102394-31-0","logHenry":-10.5,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.385,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.834,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.074,"logWSol.Reference":"EPA-CCD-OPERA","MP":235.3,"MP.Reference":"EPA-CCD-OPERA","MW":421.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102394-31-0"}
{"Compound":"Fr073317","CAS":"102409-92-7","CAS.Checksum":true,"DTXSID":"DTXSID10858817","Formula":"C19H21N3O8","All.Compound.Names":"Fr073317|Fk 317|Dtxsid10858817|102409-92-7","logHenry":-10.31,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.55,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.777,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.677,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.7,"MP.Reference":"EPA-CCD-OPERA","MW":419.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102409-92-7"}
{"Compound":"Triallyl isocyanurate","CAS":"1025-15-6","CAS.Checksum":true,"DTXSID":"DTXSID0026175","Formula":"C12H15N3O3","All.Compound.Names":"Triallyl isocyanurate|Dtxsid0026175|1025-15-6","logHenry":-5.136,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3901,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.276,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.62,"MP.Reference":"EPA-CCD-OPERA","MW":249.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1025-15-6"}
{"Compound":"Huperzine a","CAS":"102518-79-6","CAS.Checksum":true,"DTXSID":"DTXSID8046038","Formula":"C15H18N2O","All.Compound.Names":"Huperzine a|Dtxsid8046038|102518-79-6","logHenry":-5.952,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.51,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.62,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.965,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.9,"MP.Reference":"EPA-CCD-OPERA","MW":242.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102518-79-6"}
{"Compound":"2-methoxyethyl cyanoacetate","CAS":"10258-54-5","CAS.Checksum":true,"DTXSID":"DTXSID0038831","Formula":"C6H9NO3","All.Compound.Names":"2-methoxyethyl cyanoacetate|Dtxsid0038831","logHenry":-6.774,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3917,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.862,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4637,"logWSol.Reference":"EPA-CCD-OPERA","MP":-16.49,"MP.Reference":"EPA-CCD-OPERA","MW":143.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10258-54-5"}
{"Compound":"Fadrozole hydrochloride","CAS":"102676-31-3","CAS.Checksum":true,"DTXSID":"DTXSID4020618","Formula":"C14H14ClN3","All.Compound.Names":"Fadrozole hydrochloride|4-(5,6,7,8-tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|Dtxsid4020618|102676-31-3","logHenry":-4.629,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1891,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.765,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.433,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.3,"MP.Reference":"EPA-CCD-OPERA","MW":259.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.76","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102676-31-3"}
{"Compound":"Trimecaine monohydrochloride","CAS":"1027-14-1","CAS.Checksum":true,"DTXSID":"DTXSID5045702","Formula":"C15H25ClN2O","All.Compound.Names":"Trimecaine monohydrochloride|Dtxsid5045702|1027-14-1","logHenry":-9.515,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.209,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.403,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.489,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.71,"MP.Reference":"EPA-CCD-OPERA","MW":284.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1027-14-1"}
{"Compound":"Tolpentamide","CAS":"1027-87-8","CAS.Checksum":true,"DTXSID":"DTXSID6046395","Formula":"C13H18N2O3S","All.Compound.Names":"Tolpentamide|Dtxsid6046395|1027-87-8","logHenry":-9.783,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.33,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.845,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.381,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.9,"MP.Reference":"EPA-CCD-OPERA","MW":282.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1027-87-8"}
{"Compound":"Coenzyme a trilithium dihydrate","CAS":"102778-59-6","CAS.Checksum":true,"DTXSID":"DTXSID0046729","Formula":"C21H37Li3N7O18P3S","All.Compound.Names":"Coenzyme a trilithium dihydrate|Dtxsid0046729|102778-59-6","logHenry":-10.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.282,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.88,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1305,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.1,"MP.Reference":"EPA-CCD-OPERA","MW":821.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102778-59-6"}
{"Compound":"Pentifylline","CAS":"1028-33-7","CAS.Checksum":true,"DTXSID":"DTXSID2057609","Formula":"C13H20N4O2","All.Compound.Names":"Pentifylline|Dtxsid2057609|1028-33-7","logHenry":-6.968,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.093,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.568,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.479,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.62,"MP.Reference":"EPA-CCD-OPERA","MW":264.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1028-33-7"}
{"Compound":"(s)-citronellene","CAS":"10281-55-7","CAS.Checksum":true,"DTXSID":"DTXSID6047236","Formula":"C10H18","All.Compound.Names":"(s)-citronellene|Dtxsid6047236","logHenry":-1.385,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.823,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3025,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.833,"logWSol.Reference":"EPA-CCD-OPERA","MP":-107.2,"MP.Reference":"EPA-CCD-OPERA","MW":138.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10281-55-7"}
{"Compound":"Tau-fluvalinate","CAS":"102851-06-9","CAS.Checksum":true,"DTXSID":"DTXSID7037555","Formula":"C26H22ClF3N2O3","All.Compound.Names":"Tau-fluvalinate|Dtxsid7037555|102851-06-9","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.035,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.23,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.322,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.4,"MP.Reference":"EPA-CCD-OPERA","MW":502.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102851-06-9"}
{"Compound":"Parbenate","CAS":"10287-53-3","CAS.Checksum":true,"DTXSID":"DTXSID2044763","Formula":"C11H15NO2","All.Compound.Names":"Parbenate|Dtxsid2044763|10287-53-3","logHenry":-6.169,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.984,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.638,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.682,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.29,"MP.Reference":"EPA-CCD-OPERA","MW":193.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10287-53-3"}
{"Compound":"Niguldipine hydrochloride","CAS":"102992-93-8","CAS.Checksum":true,"DTXSID":"DTXSID9046318","All.Compound.Names":"Niguldipine hydrochloride|(+/-) -niguldipine hydrochloride (1:x)","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102992-93-8"}
{"Compound":"Phenicarbazide","CAS":"103-03-7","CAS.Checksum":true,"DTXSID":"DTXSID9020245","Formula":"C7H9N3O","All.Compound.Names":"Phenicarbazide|2-phenylhydrazinecarboxamide|Dtxsid9020245|103-03-7","logHenry":-8.557,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1312,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.187,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.19,"logWSol.Reference":"EPA-CCD-OPERA","MP":172,"MP.Reference":"EPA-CCD-OPERA","MW":151.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-03-7"}
{"Compound":"2-methyl-4-phenylbutan-2-ol","CAS":"103-05-9","CAS.Checksum":true,"DTXSID":"DTXSID3021851","Formula":"C11H16O","All.Compound.Names":"2-methyl-4-phenylbutan-2-ol|Dtxsid3021851|103-05-9","logHenry":-5.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.29,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.424,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.461,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.46,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-05-9"}
{"Compound":"2-ethylhexyl acetate","CAS":"103-09-3","CAS.Checksum":true,"DTXSID":"DTXSID8026694","Formula":"C10H20O2","All.Compound.Names":"2-ethylhexyl acetate|Dtxsid8026694","logHenry":-3.245,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.075,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8948,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.31,"logWSol.Reference":"EPA-CCD-OPERA","MP":-78.97,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-09-3"}
{"Compound":"2-ethylhexyl acrylate","CAS":"103-11-7","CAS.Checksum":true,"DTXSID":"DTXSID9025297","Formula":"C11H20O2","All.Compound.Names":"2-ethylhexyl acrylate|Dtxsid9025297","logHenry":-3.599,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.199,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.042,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.266,"logWSol.Reference":"EPA-CCD-OPERA","MP":-89.34,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-11-7"}
{"Compound":"4-(benzyloxyl)phenol","CAS":"103-16-2","CAS.Checksum":true,"DTXSID":"DTXSID2020717","Formula":"C13H12O2","All.Compound.Names":"4-(benzyloxyl)phenol|Dtxsid2020717|103-16-2","logHenry":-7.153,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.981,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.787,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.511,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.5,"MP.Reference":"EPA-CCD-OPERA","MW":200.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-16-2"}
{"Compound":"Methyl cinnamate","CAS":"103-26-4","CAS.Checksum":true,"DTXSID":"DTXSID6042151","Formula":"C10H10O2","All.Compound.Names":"Methyl cinnamate|Dtxsid6042151","logHenry":-6.242,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.617,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.572,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.853,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.97,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-26-4"}
{"Compound":"Benzyl 2-methylpropanoate","CAS":"103-28-6","CAS.Checksum":true,"DTXSID":"DTXSID6047602","Formula":"C11H14O2","All.Compound.Names":"Benzyl 2-methylpropanoate|Dtxsid6047602","logHenry":-4.101,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.107,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.763,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.757,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.3,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-28-6"}
{"Compound":"Bibenzyl","CAS":"103-29-7","CAS.Checksum":true,"DTXSID":"DTXSID8041668","Formula":"C14H14","All.Compound.Names":"Bibenzyl|Dtxsid8041668","logHenry":-3.284,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.788,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.086,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.626,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.5,"MP.Reference":"EPA-CCD-OPERA","MW":182.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-29-7"}
{"Compound":"Trans-stilbene","CAS":"103-30-0","CAS.Checksum":true,"DTXSID":"DTXSID4026050","Formula":"C14H12","All.Compound.Names":"Trans-stilbene|Dtxsid4026050","logHenry":-3.893,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.808,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.453,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.784,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.11,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-30-0"}
{"Compound":"4-styrylpyridine","CAS":"103-31-1","CAS.Checksum":true,"DTXSID":"DTXSID7046255","Formula":"C13H11N","All.Compound.Names":"4-styrylpyridine|Dtxsid7046255|103-31-1","logHenry":-3.918,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.752,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.304,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.632,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.82,"MP.Reference":"EPA-CCD-OPERA","MW":181.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-31-1"}
{"Compound":"4,4'-dithiodimorpholine","CAS":"103-34-4","CAS.Checksum":true,"DTXSID":"DTXSID8026698","Formula":"C8H16N2O2S2","All.Compound.Names":"4,4'-dithiodimorpholine|Dtxsid8026698|103-34-4","logHenry":-5.889,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3275,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.921,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.201,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.5,"MP.Reference":"EPA-CCD-OPERA","MW":236.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-34-4"}
{"Compound":"Ethyl cinnamate","CAS":"103-36-6","CAS.Checksum":true,"DTXSID":"DTXSID9022520","Formula":"C11H12O2","All.Compound.Names":"Ethyl cinnamate|Dtxsid9022520","logHenry":-4.278,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.987,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.757,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.998,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.88,"MP.Reference":"EPA-CCD-OPERA","MW":176.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-36-6"}
{"Compound":"Benzyl butyrate","CAS":"103-37-7","CAS.Checksum":true,"DTXSID":"DTXSID7047510","Formula":"C11H14O2","All.Compound.Names":"Benzyl butyrate|Dtxsid7047510","logHenry":-4.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.1,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.621,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.909,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.05,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-37-7"}
{"Compound":"Benzyl 3-methylbutanoate","CAS":"103-38-8","CAS.Checksum":true,"DTXSID":"DTXSID1047603","Formula":"C12H16O2","All.Compound.Names":"Benzyl 3-methylbutanoate|Dtxsid1047603","logHenry":-4.038,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.263,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.565,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.827,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.7,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-38-8"}
{"Compound":"Benzyl cinnamate","CAS":"103-41-3","CAS.Checksum":true,"DTXSID":"DTXSID3041663","Formula":"C16H14O2","All.Compound.Names":"Benzyl cinnamate|Dtxsid3041663","logHenry":-7.738,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.622,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.586,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.476,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.11,"MP.Reference":"EPA-CCD-OPERA","MW":238.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-41-3"}
{"Compound":"2-phenylethyl acetate","CAS":"103-45-7","CAS.Checksum":true,"DTXSID":"DTXSID7044506","Formula":"C10H12O2","All.Compound.Names":"2-phenylethyl acetate|Dtxsid7044506","logHenry":-4.169,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.302,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.929,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.634,"logWSol.Reference":"EPA-CCD-OPERA","MP":-30.35,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-45-7"}
{"Compound":"2-phenylethyl 2-methylpropanoate","CAS":"103-48-0","CAS.Checksum":true,"DTXSID":"DTXSID7044764","Formula":"C12H16O2","All.Compound.Names":"2-phenylethyl 2-methylpropanoate|Dtxsid7044764","logHenry":-4.205,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.47,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.358,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.971,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.12,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-48-0"}
{"Compound":"Dibenzylamine","CAS":"103-49-1","CAS.Checksum":true,"DTXSID":"DTXSID6044355","Formula":"C14H15N","All.Compound.Names":"Dibenzylamine|Dtxsid6044355|103-49-1","logHenry":-6.629,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.673,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.291,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.839,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.24,"MP.Reference":"EPA-CCD-OPERA","MW":197.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-49-1"}
{"Compound":"Dibenzyl ether","CAS":"103-50-4","CAS.Checksum":true,"DTXSID":"DTXSID5025819","Formula":"C14H14O","All.Compound.Names":"Dibenzyl ether|Dtxsid5025819","logHenry":-3.909,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.311,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.249,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.923,"logWSol.Reference":"EPA-CCD-OPERA","MP":4.601,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-50-4"}
{"Compound":"2-phenylethyl butanoate","CAS":"103-52-6","CAS.Checksum":true,"DTXSID":"DTXSID6047604","Formula":"C12H16O2","All.Compound.Names":"2-phenylethyl butanoate|Dtxsid6047604","logHenry":-4.221,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.442,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.873,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.764,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.969,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-52-6"}
{"Compound":"2-phenylethyl 3-phenylprop-2-enoate","CAS":"103-53-7","CAS.Checksum":true,"DTXSID":"DTXSID1047605","Formula":"C17H16O2","All.Compound.Names":"2-phenylethyl 3-phenylprop-2-enoate|Phenethyl cinnamate|Dtxsid1047605","logHenry":-8.057,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.851,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.087,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.683,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.02,"MP.Reference":"EPA-CCD-OPERA","MW":252.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-53-7"}
{"Compound":"3-phenylprop-2-en-1-yl acetate","CAS":"103-54-8","CAS.Checksum":true,"DTXSID":"DTXSID2044765","Formula":"C11H12O2","All.Compound.Names":"3-phenylprop-2-en-1-yl acetate|Dtxsid2044765","logHenry":-4.238,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.662,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.083,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.955,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.859,"MP.Reference":"EPA-CCD-OPERA","MW":176.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-54-8"}
{"Compound":"3-phenylprop-2-en-1-yl propanoate","CAS":"103-56-0","CAS.Checksum":true,"DTXSID":"DTXSID1047607","Formula":"C12H14O2","All.Compound.Names":"3-phenylprop-2-en-1-yl propanoate|Dtxsid1047607","logHenry":-4.308,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.984,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.136,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.764,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.95,"MP.Reference":"EPA-CCD-OPERA","MW":190.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-56-0"}
{"Compound":"3-phenylprop-2-en-1-yl 2-methylpropanoate","CAS":"103-59-3","CAS.Checksum":true,"DTXSID":"DTXSID6047608","Formula":"C13H16O2","All.Compound.Names":"3-phenylprop-2-en-1-yl 2-methylpropanoate|Dtxsid6047608","logHenry":-4.249,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.576,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.084,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.594,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.021,"MP.Reference":"EPA-CCD-OPERA","MW":204.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-59-3"}
{"Compound":"Phenoxyethyl isobutyrate","CAS":"103-60-6","CAS.Checksum":true,"DTXSID":"DTXSID7042279","Formula":"C12H16O3","All.Compound.Names":"Phenoxyethyl isobutyrate|2-phenoxyethyl isobutyrate|Dtxsid7042279","logHenry":-6.763,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.148,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.412,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.69,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.54,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-60-6"}
{"Compound":"Phenethyl bromide","CAS":"103-63-9","CAS.Checksum":true,"DTXSID":"DTXSID1033876","Formula":"C8H9Br","All.Compound.Names":"Phenethyl bromide|Dtxsid1033876","logHenry":-2.599,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.092,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.908,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.674,"logWSol.Reference":"EPA-CCD-OPERA","MP":-62.93,"MP.Reference":"EPA-CCD-OPERA","MW":185.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-63-9"}
{"Compound":"Propylbenzene","CAS":"103-65-1","CAS.Checksum":true,"DTXSID":"DTXSID3042219","Formula":"C9H12","All.Compound.Names":"Propylbenzene|Dtxsid3042219","logHenry":-1.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.704,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5695,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.335,"logWSol.Reference":"EPA-CCD-OPERA","MP":-98.8,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-65-1"}
{"Compound":"Formanilide","CAS":"103-70-8","CAS.Checksum":true,"DTXSID":"DTXSID3025338","Formula":"C7H7NO","All.Compound.Names":"Formanilide|Dtxsid3025338|103-70-8","logHenry":-7.166,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.15,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.368,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6613,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.27,"MP.Reference":"EPA-CCD-OPERA","MW":121.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-70-8"}
{"Compound":"Phenyl isothiocyanate","CAS":"103-72-0","CAS.Checksum":true,"DTXSID":"DTXSID0021129","Formula":"C7H5NS","All.Compound.Names":"Phenyl isothiocyanate|Isothiocyanic acid, phenyl ester|Dtxsid0021129|103-72-0","logHenry":-6.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.279,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5103,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.62,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-72-0"}
{"Compound":"2-(pyridin-2-yl)ethanol","CAS":"103-74-2","CAS.Checksum":true,"DTXSID":"DTXSID2044767","Formula":"C7H9NO","All.Compound.Names":"2-(pyridin-2-yl)ethanol|2-(2-pyridyl)ethanol|Dtxsid2044767|103-74-2","logHenry":-6.56,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1193,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.133,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5158,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.228,"MP.Reference":"EPA-CCD-OPERA","MW":123.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-74-2"}
{"Compound":"1-piperazineethanol","CAS":"103-76-4","CAS.Checksum":true,"DTXSID":"DTXSID3021853","Formula":"C6H14N2O","All.Compound.Names":"1-piperazineethanol|Dtxsid3021853|103-76-4","logHenry":-8.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7356,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.334,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9166,"logWSol.Reference":"EPA-CCD-OPERA","MP":91.94,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-76-4"}
{"Compound":"Phenylacetic acid","CAS":"103-82-2","CAS.Checksum":true,"DTXSID":"DTXSID2021656","Formula":"C8H8O2","All.Compound.Names":"Phenylacetic acid|Dtxsid2021656|103-82-2","logHenry":-6.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.417,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.1,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9069,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.24,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-82-2"}
{"Compound":"N,n-dimethylbenzylamine","CAS":"103-83-3","CAS.Checksum":true,"DTXSID":"DTXSID8021854","Formula":"C9H13N","All.Compound.Names":"N,n-dimethylbenzylamine|Dtxsid8021854|103-83-3","logHenry":-3.92,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.981,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.325,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.054,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.11,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-83-3"}
{"Compound":"Acetanilide","CAS":"103-84-4","CAS.Checksum":true,"DTXSID":"DTXSID2022543","Formula":"C8H9NO","All.Compound.Names":"Acetanilide|N-acetylaminobenzene|Dtxsid2022543|103-84-4","logHenry":-8.807,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.163,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.582,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.344,"logWSol.Reference":"EPA-CCD-OPERA","MP":114,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-84-4"}
{"Compound":"1-phenyl-2-thiourea","CAS":"103-85-5","CAS.Checksum":true,"DTXSID":"DTXSID9021134","Formula":"C7H8N2S","All.Compound.Names":"1-phenyl-2-thiourea|Dtxsid9021134|103-85-5","logHenry":-7.845,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.713,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.213,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.785,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.1,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-85-5"}
{"Compound":"N-acetyl-p-toluidine","CAS":"103-89-9","CAS.Checksum":true,"DTXSID":"DTXSID6024414","Formula":"C9H11NO","All.Compound.Names":"N-acetyl-p-toluidine|Dtxsid6024414|103-89-9","logHenry":-8.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.695,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.8,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.092,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.1,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-89-9"}
{"Compound":"2-methyl-3-[4-(propan-2-yl)phenyl]propanal","CAS":"103-95-7","CAS.Checksum":true,"DTXSID":"DTXSID2044769","Formula":"C13H18O","All.Compound.Names":"2-methyl-3-[4-(propan-2-yl)phenyl]propanal|Cyclamen aldehyde|Dtxsid2044769","logHenry":-3.413,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.68,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.672,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.942,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.22,"MP.Reference":"EPA-CCD-OPERA","MW":190.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103-95-7"}
{"Compound":"Lufenuron","CAS":"103055-07-8","CAS.Checksum":true,"DTXSID":"DTXSID5034357","Formula":"C17H8Cl2F8N2O3","All.Compound.Names":"Lufenuron|N-[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)-phenyl-aminocarbonyl]-2,6-difluorobenzamide|Dtxsid5034357|103055-07-8","logHenry":-10.94,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.12,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.39,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.992,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.1,"MP.Reference":"EPA-CCD-OPERA","MW":511.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"103055-07-8"}
{"Compound":"Endosulfan sulfate","CAS":"1031-07-8","CAS.Checksum":true,"DTXSID":"DTXSID3037541","Formula":"C9H6Cl6O4S","All.Compound.Names":"Endosulfan sulfate|Dtxsid3037541","logHenry":-5.747,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.659,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.089,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.942,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.3,"MP.Reference":"EPA-CCD-OPERA","MW":422.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1031-07-8"}
{"Compound":"Tribenoside","CAS":"10310-32-4","CAS.Checksum":true,"DTXSID":"DTXSID7023697","Formula":"C29H34O6","All.Compound.Names":"Tribenoside|Dtxsid7023697|10310-32-4","logHenry":-8.903,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.305,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.922,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.561,"logWSol.Reference":"EPA-CCD-OPERA","MP":169,"MP.Reference":"EPA-CCD-OPERA","MW":478.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10310-32-4"}
{"Compound":"Dialifor","CAS":"10311-84-9","CAS.Checksum":true,"DTXSID":"DTXSID0037522","Formula":"C14H17ClNO4PS2","All.Compound.Names":"Dialifor|Dtxsid0037522|10311-84-9","logHenry":-8.852,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.689,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.994,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.336,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.97,"MP.Reference":"EPA-CCD-OPERA","MW":393.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10311-84-9"}
{"Compound":"1-ethylpyridinium hexafluorophosphate","CAS":"103173-73-5","CAS.Checksum":true,"DTXSID":"DTXSID5047875","Formula":"C7H10F6NP","All.Compound.Names":"1-ethylpyridinium hexafluorophosphate|Dtxsid5047875|103173-73-5","logHenry":-2.455,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7182,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.191,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.21,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.3,"MP.Reference":"EPA-CCD-OPERA","MW":253.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103173-73-5"}
{"Compound":"Pranlukast","CAS":"103177-37-3","CAS.Checksum":true,"DTXSID":"DTXSID3043782","Formula":"C27H23N5O4","All.Compound.Names":"Pranlukast|Dtxsid3043782|103177-37-3","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.917,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.783,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.935,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.6,"MP.Reference":"EPA-CCD-OPERA","MW":481.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103177-37-3"}
{"Compound":"C.i. disperse yellow 64","CAS":"10319-14-9","CAS.Checksum":true,"DTXSID":"DTXSID2044503","Formula":"C18H10BrNO3","All.Compound.Names":"C.i. disperse yellow 64|Dtxsid2044503|10319-14-9","logHenry":-8.982,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.638,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.736,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.439,"logWSol.Reference":"EPA-CCD-OPERA","MP":249.1,"MP.Reference":"EPA-CCD-OPERA","MW":368.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.36","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10319-14-9"}
{"Compound":"Mk-2206","CAS":"1032350-13-2","CAS.Checksum":true,"DTXSID":"DTXSID3048948","Formula":"C25H21N5O","All.Compound.Names":"Mk-2206|Dtxsid3048948|1032350-13-2","logHenry":-8.572,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.979,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.236,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.477,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.3,"MP.Reference":"EPA-CCD-OPERA","MW":407.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1032350-13-2"}
{"Compound":"Cadmium dinitrate","CAS":"10325-94-7","CAS.Checksum":true,"DTXSID":"DTXSID7044504","Formula":"CdN2O6","All.Compound.Names":"Cadmium dinitrate","MW":236.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10325-94-7"}
{"Compound":"Barium chloride dihydrate","CAS":"10326-27-9","CAS.Checksum":true,"DTXSID":"DTXSID2020131","Formula":"BaCl2H4O2","All.Compound.Names":"Barium chloride dihydrate","MW":244.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10326-27-9"}
{"Compound":"D-lactic acid","CAS":"10326-41-7","CAS.Checksum":true,"DTXSID":"DTXSID0047030","Formula":"C3H6O3","All.Compound.Names":"D-lactic acid|Dtxsid0047030|10326-41-7","logHenry":-8.049,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7207,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.442,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5083,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.93,"MP.Reference":"EPA-CCD-OPERA","MW":90.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10326-41-7"}
{"Compound":"Taltirelin","CAS":"103300-74-9","CAS.Checksum":true,"DTXSID":"DTXSID0043763","Formula":"C17H23N7O5","All.Compound.Names":"Taltirelin|Dtxsid0043763|103300-74-9","logHenry":-10.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.012,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.5,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.183,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.4,"MP.Reference":"EPA-CCD-OPERA","MW":405.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103300-74-9"}
{"Compound":"Monatepil","CAS":"103377-41-9","CAS.Checksum":true,"DTXSID":"DTXSID3048811","Formula":"C28H30FN3OS","All.Compound.Names":"Monatepil|Dtxsid3048811|103377-41-9","logHenry":-7.604,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.145,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.034,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.279,"logWSol.Reference":"EPA-CCD-OPERA","MP":182,"MP.Reference":"EPA-CCD-OPERA","MW":475.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103377-41-9"}
{"Compound":"Salidroside","CAS":"10338-51-9","CAS.Checksum":true,"DTXSID":"DTXSID4049034","Formula":"C14H20O7","All.Compound.Names":"Salidroside|Dtxsid4049034|10338-51-9","logHenry":-8.796,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6679,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.14,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.246,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.4,"MP.Reference":"EPA-CCD-OPERA","MW":300.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10338-51-9"}
{"Compound":"Ethyl linalool","CAS":"10339-55-6","CAS.Checksum":true,"DTXSID":"DTXSID9047415","Formula":"C11H20O","All.Compound.Names":"Ethyl linalool|Dtxsid9047415|10339-55-6","logHenry":-5.379,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.277,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.297,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.428,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10339-55-6"}
{"Compound":"Devazepide","CAS":"103420-77-5","CAS.Checksum":true,"DTXSID":"DTXSID2046092","Formula":"C25H20N4O2","All.Compound.Names":"Devazepide|Dtxsid2046092|103420-77-5","logHenry":-10.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.864,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.818,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.698,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.4,"MP.Reference":"EPA-CCD-OPERA","MW":408.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.44","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103420-77-5"}
{"Compound":"Maprotiline hydrochloride","CAS":"10347-81-6","CAS.Checksum":true,"DTXSID":"DTXSID2044507","Formula":"C20H24ClN","All.Compound.Names":"Maprotiline hydrochloride|Dtxsid2044507|10347-81-6","logHenry":-5.534,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9381,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.717,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.488,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.1,"MP.Reference":"EPA-CCD-OPERA","MW":313.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10347-81-6"}
{"Compound":"Tepoxalin","CAS":"103475-41-8","CAS.Checksum":true,"DTXSID":"DTXSID1057610","Formula":"C20H20ClN3O3","All.Compound.Names":"Tepoxalin|Dtxsid1057610|103475-41-8","logHenry":-8.006,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.819,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.471,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.895,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.3,"MP.Reference":"EPA-CCD-OPERA","MW":385.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103475-41-8"}
{"Compound":"Bisoctrizole","CAS":"103597-45-1","CAS.Checksum":true,"DTXSID":"DTXSID2046703","Formula":"C41H50N6O2","All.Compound.Names":"Bisoctrizole|Dtxsid2046703|103597-45-1","logHenry":-10.97,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.122,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6277,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.117,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.4,"MP.Reference":"EPA-CCD-OPERA","MW":658.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103597-45-1"}
{"Compound":"Barium chloride","CAS":"10361-37-2","CAS.Checksum":true,"DTXSID":"DTXSID7044508","Formula":"BaCl2","All.Compound.Names":"Barium chloride","MW":208.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10361-37-2"}
{"Compound":"Ytterbium(iii) chloride","CAS":"10361-91-8","CAS.Checksum":true,"DTXSID":"DTXSID0047117","Formula":"Cl3Yb","All.Compound.Names":"Ytterbium(iii) chloride","MW":279.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10361-91-8"}
{"Compound":"Ondansetron hydrochloride dihydrate","CAS":"103639-04-9","CAS.Checksum":true,"DTXSID":"DTXSID9048857","Formula":"C18H24ClN3O3","All.Compound.Names":"Ondansetron hydrochloride dihydrate|Dtxsid9048857|103639-04-9","logHenry":-8.127,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.167,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.532,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.92,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.6,"MP.Reference":"EPA-CCD-OPERA","MW":365.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103639-04-9"}
{"Compound":"Betiatide","CAS":"103725-47-9","CAS.Checksum":true,"DTXSID":"DTXSID3048788","Formula":"C15H17N3O6S","All.Compound.Names":"Betiatide|Dtxsid3048788|103725-47-9","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4414,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.888,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.842,"logWSol.Reference":"EPA-CCD-OPERA","MP":200,"MP.Reference":"EPA-CCD-OPERA","MW":367.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103725-47-9"}
{"Compound":"(+)camphorquinone","CAS":"10373-78-1","CAS.Checksum":true,"DTXSID":"DTXSID7049394","Formula":"C10H14O2","All.Compound.Names":"(+)camphorquinone|(+/-)-camphorquinone|Dtxsid7049394","logHenry":-5.769,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.704,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.99,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.636,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.6,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10373-78-1"}
{"Compound":"4-methylumbelliferone hydrate","CAS":"103764-33-6","CAS.Checksum":true,"DTXSID":"DTXSID1046976","Formula":"C10H10O4","All.Compound.Names":"4-methylumbelliferone hydrate|Dtxsid1046976|103764-33-6","logHenry":-9.284,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.052,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.669,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.4,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103764-33-6"}
{"Compound":"Gimeracil","CAS":"103766-25-2","CAS.Checksum":true,"DTXSID":"DTXSID8046799","Formula":"C5H4ClNO2","All.Compound.Names":"Gimeracil|Dtxsid8046799|103766-25-2","logHenry":-6.185,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2355,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.2,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6476,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.71,"MP.Reference":"EPA-CCD-OPERA","MW":145.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103766-25-2"}
{"Compound":"Lithium sulfate","CAS":"10377-48-7","CAS.Checksum":true,"DTXSID":"DTXSID3049201","Formula":"Li2O4S","All.Compound.Names":"Lithium sulfate","MW":109.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10377-48-7"}
{"Compound":"Moexiprilat","CAS":"103775-14-0","CAS.Checksum":true,"DTXSID":"DTXSID6057611","Formula":"C25H30N2O7","All.Compound.Names":"Moexiprilat|Dtxsid6057611|103775-14-0","logHenry":-10.99,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.331,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.085,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.066,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.8,"MP.Reference":"EPA-CCD-OPERA","MW":470.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103775-14-0"}
{"Compound":"Glyoctamide","CAS":"1038-59-1","CAS.Checksum":true,"DTXSID":"DTXSID1046394","Formula":"C16H24N2O3S","All.Compound.Names":"Glyoctamide|Dtxsid1046394|1038-59-1","logHenry":-8.992,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.741,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.613,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.596,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.3,"MP.Reference":"EPA-CCD-OPERA","MW":324.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1038-59-1"}
{"Compound":"8-bromotheophylline","CAS":"10381-75-6","CAS.Checksum":true,"DTXSID":"DTXSID7044768","Formula":"C7H7BrN4O2","All.Compound.Names":"8-bromotheophylline|Dtxsid7044768|10381-75-6","logHenry":-8.631,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.09645,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.13,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.05659,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.4,"MP.Reference":"EPA-CCD-OPERA","MW":259.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10381-75-6"}
{"Compound":"Lazabemide hydrochloride","CAS":"103878-83-7","CAS.Checksum":true,"DTXSID":"DTXSID4046739","Formula":"C8H11Cl2N3O","All.Compound.Names":"Lazabemide hydrochloride|Dtxsid4046739|103878-83-7","logHenry":-9.098,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.459,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.63,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.787,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.2,"MP.Reference":"EPA-CCD-OPERA","MW":236.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103878-83-7"}
{"Compound":"Clortermine","CAS":"10389-73-8","CAS.Checksum":true,"DTXSID":"DTXSID0022850","Formula":"C10H14ClN","All.Compound.Names":"Clortermine|Dtxsid0022850|10389-73-8","logHenry":-6.243,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.351,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.041,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.222,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.19,"MP.Reference":"EPA-CCD-OPERA","MW":183.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10389-73-8"}
{"Compound":"Lacidipine","CAS":"103890-78-4","CAS.Checksum":true,"DTXSID":"DTXSID1046429","Formula":"C26H33NO6","All.Compound.Names":"Lacidipine|103890-78-4|Dtxsid1046429","logHenry":-7.577,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.199,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.502,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.54,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.1,"MP.Reference":"EPA-CCD-OPERA","MW":455.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.76","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.18,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"103890-78-4"}
{"Compound":"Maxacalcitol","CAS":"103909-75-7","CAS.Checksum":true,"DTXSID":"DTXSID4048648","Formula":"C26H42O4","All.Compound.Names":"Maxacalcitol|Dtxsid4048648|103909-75-7","logHenry":-7.865,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.211,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.149,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.943,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.9,"MP.Reference":"EPA-CCD-OPERA","MW":418.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103909-75-7"}
{"Compound":"Pibutidine","CAS":"103922-33-4","CAS.Checksum":true,"DTXSID":"DTXSID4048802","Formula":"C19H24N4O3","All.Compound.Names":"Pibutidine|Dtxsid4048802|103922-33-4","logHenry":-9.029,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.62,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.804,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.643,"logWSol.Reference":"EPA-CCD-OPERA","MP":211,"MP.Reference":"EPA-CCD-OPERA","MW":356.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103922-33-4"}
{"Compound":"Iocarmic acid","CAS":"10397-75-8","CAS.Checksum":true,"DTXSID":"DTXSID7023148","Formula":"C24H20I6N4O8","All.Compound.Names":"Iocarmic acid|Dtxsid7023148|10397-75-8","logHenry":-10.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.838,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.745,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.424,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.5,"MP.Reference":"EPA-CCD-OPERA","MW":1254,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10397-75-8"}
{"Compound":"Amithiozone","CAS":"104-06-3","CAS.Checksum":true,"DTXSID":"DTXSID2022593","Formula":"C10H12N4OS","All.Compound.Names":"Amithiozone|Dtxsid2022593|104-06-3","logHenry":-9.689,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.358,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.025,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.429,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.4,"MP.Reference":"EPA-CCD-OPERA","MW":236.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-06-3"}
{"Compound":"4-chlorophenyl isocyanate","CAS":"104-12-1","CAS.Checksum":true,"DTXSID":"DTXSID7040732","Formula":"C7H4ClNO","All.Compound.Names":"4-chlorophenyl isocyanate|Dtxsid7040732|104-12-1","logHenry":-6.652,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.951,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.015,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.744,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.68,"MP.Reference":"EPA-CCD-OPERA","MW":153.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-12-1"}
{"Compound":"Octopamine","CAS":"104-14-3","CAS.Checksum":true,"DTXSID":"DTXSID7043873","Formula":"C8H11NO2","All.Compound.Names":"Octopamine|Dtxsid7043873|104-14-3","logHenry":-8.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9002,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.792,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9897,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.2,"MP.Reference":"EPA-CCD-OPERA","MW":153.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-14-3"}
{"Compound":"4-methylbenzenesulfonic acid","CAS":"104-15-4","CAS.Checksum":true,"DTXSID":"DTXSID0026701","Formula":"C7H8O3S","All.Compound.Names":"4-methylbenzenesulfonic acid|Dtxsid0026701|104-15-4","logHenry":-7.872,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.215,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.498,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5553,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.3,"MP.Reference":"EPA-CCD-OPERA","MW":172.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-15-4"}
{"Compound":"4-(4-methoxyphenyl)-2-butanone","CAS":"104-20-1","CAS.Checksum":true,"DTXSID":"DTXSID5047166","Formula":"C11H14O2","All.Compound.Names":"4-(4-methoxyphenyl)-2-butanone|Dtxsid5047166","logHenry":-5.669,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.769,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.315,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.009,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.115,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-20-1"}
{"Compound":"4-methoxybenzyl acetate","CAS":"104-21-2","CAS.Checksum":true,"DTXSID":"DTXSID1044770","Formula":"C10H12O3","All.Compound.Names":"4-methoxybenzyl acetate|Dtxsid1044770","logHenry":-5.332,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.082,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.75,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.858,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.33,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-21-2"}
{"Compound":"Benzylsulfamide","CAS":"104-22-3","CAS.Checksum":true,"DTXSID":"DTXSID3046110","Formula":"C13H14N2O2S","All.Compound.Names":"Benzylsulfamide|Dtxsid3046110|104-22-3","logHenry":-10.4,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.908,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.513,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.07,"logWSol.Reference":"EPA-CCD-OPERA","MP":171,"MP.Reference":"EPA-CCD-OPERA","MW":262.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-22-3"}
{"Compound":"1-(4-methoxyphenyl)-1-pentene-3-one","CAS":"104-27-8","CAS.Checksum":true,"DTXSID":"DTXSID4047412","Formula":"C12H14O2","All.Compound.Names":"1-(4-methoxyphenyl)-1-pentene-3-one|Dtxsid4047412","logHenry":-6.442,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.524,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.228,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.191,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.92,"MP.Reference":"EPA-CCD-OPERA","MW":190.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-27-8"}
{"Compound":"2-ethoxylethyl-p-methoxycinnamate","CAS":"104-28-9","CAS.Checksum":true,"DTXSID":"DTXSID2025264","Formula":"C14H18O4","All.Compound.Names":"2-ethoxylethyl-p-methoxycinnamate|Cinoxate|Dtxsid2025264","logHenry":-7.734,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.271,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.292,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.7,"logWSol.Reference":"EPA-CCD-OPERA","MP":-24.78,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-28-9"}
{"Compound":"1,2-propanediol, 3-(4-chlorophenoxy)-","CAS":"104-29-0","CAS.Checksum":true,"DTXSID":"DTXSID0049028","Formula":"C9H11ClO3","All.Compound.Names":"1,2-propanediol, 3-(4-chlorophenoxy)-|Chlorphenesin|Dtxsid0049028|104-29-0","logHenry":-6.589,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.362,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.703,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.31,"logWSol.Reference":"EPA-CCD-OPERA","MP":78,"MP.Reference":"EPA-CCD-OPERA","MW":202.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-29-0"}
{"Compound":"Benzonatate","CAS":"104-31-4","CAS.Checksum":true,"DTXSID":"DTXSID9022655","Formula":"C30H53NO11","All.Compound.Names":"Benzonatate|Dtxsid9022655|104-31-4","logHenry":-9.066,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.448,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.12,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.39,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.25,"MP.Reference":"EPA-CCD-OPERA","MW":603.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-31-4"}
{"Compound":"Propamidine","CAS":"104-32-5","CAS.Checksum":true,"DTXSID":"DTXSID6048674","Formula":"C17H20N4O2","All.Compound.Names":"Propamidine|Dtxsid6048674|104-32-5","logHenry":-11.18,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.29,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.104,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.277,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.6,"MP.Reference":"EPA-CCD-OPERA","MW":312.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.1","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-32-5"}
{"Compound":"2,2'-[1,4-phenylenebis(oxy)]diethanol","CAS":"104-38-1","CAS.Checksum":true,"DTXSID":"DTXSID5026702","Formula":"C10H14O4","All.Compound.Names":"2,2'-[1,4-phenylenebis(oxy)]diethanol|Dtxsid5026702|104-38-1","logHenry":-6.538,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.009,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.071,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.569,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.1,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-38-1"}
{"Compound":"4-dodecylphenol","CAS":"104-43-8","CAS.Checksum":true,"DTXSID":"DTXSID1022508","Formula":"C18H30O","All.Compound.Names":"4-dodecylphenol|Dtxsid1022508|104-43-8","logHenry":-5.224,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.91,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.704,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.273,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.29,"MP.Reference":"EPA-CCD-OPERA","MW":262.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-43-8"}
{"Compound":"4-propylanisole","CAS":"104-45-0","CAS.Checksum":true,"DTXSID":"DTXSID0042325","Formula":"C10H14O","All.Compound.Names":"4-propylanisole|Dtxsid0042325","logHenry":-5.011,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.969,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.038,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.631,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.77,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-45-0"}
{"Compound":"Anethole","CAS":"104-46-1","CAS.Checksum":true,"DTXSID":"DTXSID4020086","Formula":"C10H12O","All.Compound.Names":"Anethole|Dtxsid4020086","logHenry":-5.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.018,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.981,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.123,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.82,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-46-1"}
{"Compound":"4-octanolide","CAS":"104-50-7","CAS.Checksum":true,"DTXSID":"DTXSID1047609","Formula":"C8H14O2","All.Compound.Names":"4-octanolide|4-hydroxyoctanoic acid lactone|Dtxsid1047609","logHenry":-7.068,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.96,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.044,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.734,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.395,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-50-7"}
{"Compound":"Butylbenzene","CAS":"104-51-8","CAS.Checksum":true,"DTXSID":"DTXSID6022472","Formula":"C10H14","All.Compound.Names":"Butylbenzene|Dtxsid6022472","logHenry":-2.094,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.379,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2211,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.059,"logWSol.Reference":"EPA-CCD-OPERA","MP":-86.11,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-51-8"}
{"Compound":"3-phenylpropanal","CAS":"104-53-0","CAS.Checksum":true,"DTXSID":"DTXSID0047610","Formula":"C9H10O","All.Compound.Names":"3-phenylpropanal|Dtxsid0047610","logHenry":-4.341,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.843,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.01,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.68,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.37,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-53-0"}
{"Compound":"3-phenyl-2-propen-1-ol","CAS":"104-54-1","CAS.Checksum":true,"DTXSID":"DTXSID9041491","Formula":"C9H10O","All.Compound.Names":"3-phenyl-2-propen-1-ol|Dtxsid9041491|104-54-1","logHenry":-6.329,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.949,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.071,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.018,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.95,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-54-1"}
{"Compound":"3-phenylprop-2-enal","CAS":"104-55-2","CAS.Checksum":true,"DTXSID":"DTXSID1024835","Formula":"C9H8O","All.Compound.Names":"3-phenylprop-2-enal|Dtxsid1024835","logHenry":-4.182,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.899,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.929,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.968,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.94,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-55-2"}
{"Compound":"Gamma-nonanolactone","CAS":"104-61-0","CAS.Checksum":true,"DTXSID":"DTXSID0034229","Formula":"C9H16O2","All.Compound.Names":"Gamma-nonanolactone|Dtxsid0034229","logHenry":-6.474,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.544,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.325,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.774,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.176,"MP.Reference":"EPA-CCD-OPERA","MW":156.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-61-0"}
{"Compound":"N-benzylethanolamine","CAS":"104-63-2","CAS.Checksum":true,"DTXSID":"DTXSID1044356","Formula":"C9H13NO","All.Compound.Names":"N-benzylethanolamine|Dtxsid1044356|104-63-2","logHenry":-7.256,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.792,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.053,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.159,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.19,"MP.Reference":"EPA-CCD-OPERA","MW":151.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-63-2"}
{"Compound":"1,2-diphenoxyethane","CAS":"104-66-5","CAS.Checksum":true,"DTXSID":"DTXSID5026706","Formula":"C14H14O2","All.Compound.Names":"1,2-diphenoxyethane|1,2-diphenoxy ethane|Dtxsid5026706","logHenry":-4.653,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.809,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.716,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.064,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.94,"MP.Reference":"EPA-CCD-OPERA","MW":214.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"18.51","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0,0,0","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"104-66-5"}
{"Compound":"Decylbenzene","CAS":"104-72-3","CAS.Checksum":true,"DTXSID":"DTXSID5051529","Formula":"C16H26","All.Compound.Names":"Decylbenzene|Dtxsid5051529|N-decylbenzene","logHenry":-2.947,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.348,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.02647,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.957,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.36,"MP.Reference":"EPA-CCD-OPERA","MW":218.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-72-3"}
{"Compound":"2-ethylhexylamine","CAS":"104-75-6","CAS.Checksum":true,"DTXSID":"DTXSID4025298","Formula":"C8H19N","All.Compound.Names":"2-ethylhexylamine|Dtxsid4025298|104-75-6","logHenry":-4.415,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.82,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.065,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.716,"logWSol.Reference":"EPA-CCD-OPERA","MP":-75.29,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-75-6"}
{"Compound":"2-ethyl-1-hexanol","CAS":"104-76-7","CAS.Checksum":true,"DTXSID":"DTXSID5020605","Formula":"C8H18O","All.Compound.Names":"2-ethyl-1-hexanol|Dtxsid5020605|104-76-7","logHenry":-4.519,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.893,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.879,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.153,"logWSol.Reference":"EPA-CCD-OPERA","MP":-69.85,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-76-7"}
{"Compound":"4-methylbenzyl chloride","CAS":"104-82-5","CAS.Checksum":true,"DTXSID":"DTXSID2051477","Formula":"C8H9Cl","All.Compound.Names":"4-methylbenzyl chloride|Dtxsid2051477","logHenry":-2.938,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.164,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.158,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":-51.27,"MP.Reference":"EPA-CCD-OPERA","MW":140.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-82-5"}
{"Compound":"4-methylbenzonitrile","CAS":"104-85-8","CAS.Checksum":true,"DTXSID":"DTXSID6026169","Formula":"C8H7N","All.Compound.Names":"4-methylbenzonitrile|1-cyano-4-methylbenzene|Dtxsid6026169","logHenry":-4.475,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.745,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.561,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7993,"logWSol.Reference":"EPA-CCD-OPERA","MP":4.023,"MP.Reference":"EPA-CCD-OPERA","MW":117.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-85-8"}
{"Compound":"4-methylbenzaldehyde","CAS":"104-87-0","CAS.Checksum":true,"DTXSID":"DTXSID9041520","Formula":"C8H8O","All.Compound.Names":"4-methylbenzaldehyde|Dtxsid9041520","logHenry":-4.553,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.878,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.559,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.721,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.414,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-87-0"}
{"Compound":"4-chlorobenzaldehyde","CAS":"104-88-1","CAS.Checksum":true,"DTXSID":"DTXSID2021860","Formula":"C7H5ClO","All.Compound.Names":"4-chlorobenzaldehyde|Dtxsid2021860","logHenry":-4.398,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.102,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.478,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.876,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.03,"MP.Reference":"EPA-CCD-OPERA","MW":140.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-88-1"}
{"Compound":"5-ethyl-2-methylpyridine","CAS":"104-90-5","CAS.Checksum":true,"DTXSID":"DTXSID7021861","Formula":"C8H11N","All.Compound.Names":"5-ethyl-2-methylpyridine|Dtxsid7021861|104-90-5","logHenry":-5.009,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.173,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.287,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9947,"logWSol.Reference":"EPA-CCD-OPERA","MP":-68.72,"MP.Reference":"EPA-CCD-OPERA","MW":121.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-90-5"}
{"Compound":"4-nitrosophenol","CAS":"104-91-6","CAS.Checksum":true,"DTXSID":"DTXSID0025991","Formula":"C6H5NO2","All.Compound.Names":"4-nitrosophenol|Dtxsid0025991","logHenry":-8.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.289,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.717,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5941,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.74,"MP.Reference":"EPA-CCD-OPERA","MW":123.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-91-6"}
{"Compound":"1-methoxy-4-methylbenzene","CAS":"104-93-8","CAS.Checksum":true,"DTXSID":"DTXSID9026710","Formula":"C8H10O","All.Compound.Names":"1-methoxy-4-methylbenzene|Dtxsid9026710","logHenry":-5.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.66,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.489,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.305,"logWSol.Reference":"EPA-CCD-OPERA","MP":-37.78,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-93-8"}
{"Compound":"4-methoxyaniline","CAS":"104-94-9","CAS.Checksum":true,"DTXSID":"DTXSID7024532","Formula":"C7H9NO","All.Compound.Names":"4-methoxyaniline|4-methoxybenzenamine|Dtxsid7024532|104-94-9","logHenry":-7.176,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9502,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.318,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7714,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.31,"MP.Reference":"EPA-CCD-OPERA","MW":123.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.11","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-94-9"}
{"Compound":"Eugenyl phenylacetate","CAS":"10402-33-2","CAS.Checksum":true,"DTXSID":"DTXSID0047406","Formula":"C18H18O3","All.Compound.Names":"Eugenyl phenylacetate|Dtxsid0047406","logHenry":-7.988,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.235,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.912,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.97,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.79,"MP.Reference":"EPA-CCD-OPERA","MW":282.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10402-33-2"}
{"Compound":"Eprazinone dihydrochloride","CAS":"10402-53-6","CAS.Checksum":true,"DTXSID":"DTXSID1046631","Formula":"C24H34Cl2N2O2","All.Compound.Names":"Eprazinone dihydrochloride|Dtxsid1046631|10402-53-6","logHenry":-6.675,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.859,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.854,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.208,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.8,"MP.Reference":"EPA-CCD-OPERA","MW":453.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10402-53-6"}
{"Compound":"Trospium chloride","CAS":"10405-02-4","CAS.Checksum":true,"DTXSID":"DTXSID7023724","Formula":"C25H30ClNO3","All.Compound.Names":"Trospium chloride|10405-02-4|Dtxsid7023724","logHenry":-7.659,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.138,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.501,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.6,"MP.Reference":"EPA-CCD-OPERA","MW":428,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.1,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"10405-02-4"}
{"Compound":"Atipamezole","CAS":"104054-27-5","CAS.Checksum":true,"DTXSID":"DTXSID2049135","Formula":"C14H16N2","All.Compound.Names":"Atipamezole|Dtxsid2049135|104054-27-5","logHenry":-6.799,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.848,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.083,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.248,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.5,"MP.Reference":"EPA-CCD-OPERA","MW":212.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104054-27-5"}
{"Compound":"Atipamezole hydrochloride","CAS":"104075-48-1","CAS.Checksum":true,"DTXSID":"DTXSID2048583","Formula":"C14H17ClN2","All.Compound.Names":"Atipamezole hydrochloride|Dtxsid2048583|104075-48-1","logHenry":-6.799,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5237,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.46,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.248,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.1,"MP.Reference":"EPA-CCD-OPERA","MW":248.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104075-48-1"}
{"Compound":"Zolantidine dimaleate","CAS":"104076-39-3","CAS.Checksum":true,"DTXSID":"DTXSID7045811","Formula":"C30H35N3O9S","All.Compound.Names":"Zolantidine dimaleate|Dtxsid7045811|104076-39-3","logHenry":-6.646,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6763,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.601,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.986,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.5,"MP.Reference":"EPA-CCD-OPERA","MW":613.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104076-39-3"}
{"Compound":"N,o-bis(trimethylsilyl)acetamide","CAS":"10416-59-8","CAS.Checksum":true,"DTXSID":"DTXSID5051525","Formula":"C8H21NOSi2","All.Compound.Names":"N,o-bis(trimethylsilyl)acetamide|Dtxsid5051525|10416-59-8","logHenry":-0.5405,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.606,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.389,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.77,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.98,"MP.Reference":"EPA-CCD-OPERA","MW":203.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10416-59-8"}
{"Compound":"Eicosapentaenoic acid","CAS":"10417-94-4","CAS.Checksum":true,"DTXSID":"DTXSID9041023","Formula":"C20H30O2","All.Compound.Names":"Eicosapentaenoic acid|Timnodonic acid|Dtxsid9041023|10417-94-4","logHenry":-7.755,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.114,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.281,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.56,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.879,"MP.Reference":"EPA-CCD-OPERA","MW":302.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10417-94-4"}
{"Compound":"Stanozolol","CAS":"10418-03-8","CAS.Checksum":true,"DTXSID":"DTXSID3044128","Formula":"C21H32N2O","All.Compound.Names":"Stanozolol","logHenry":-6.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.725,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.52,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.891,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.7,"MP.Reference":"EPA-CCD-OPERA","MW":328.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10418-03-8"}
{"Compound":"Dimethyl acetylsuccinate","CAS":"10420-33-4","CAS.Checksum":true,"DTXSID":"DTXSID0041692","Formula":"C8H12O5","All.Compound.Names":"Dimethyl acetylsuccinate|Dtxsid0041692","logHenry":-7.566,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3301,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.55,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3793,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.38,"MP.Reference":"EPA-CCD-OPERA","MW":188.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10420-33-4"}
{"Compound":"Famciclovir","CAS":"104227-87-4","CAS.Checksum":true,"DTXSID":"DTXSID0023038","Formula":"C14H19N5O4","All.Compound.Names":"Famciclovir|104227-87-4|Dtxsid0023038","logHenry":-8.895,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1606,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.634,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.354,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.1,"MP.Reference":"EPA-CCD-OPERA","MW":321.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.77,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"104227-87-4"}
{"Compound":"2,4-db-sodium","CAS":"10433-59-7","CAS.Checksum":true,"DTXSID":"DTXSID5041356","Formula":"C10H9Cl2NaO3","All.Compound.Names":"2,4-db-sodium|Dtxsid5041356|10433-59-7","logHenry":-8.833,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1649,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.691,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.202,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.3,"MP.Reference":"EPA-CCD-OPERA","MW":271.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10433-59-7"}
{"Compound":"Bisoprolol fumarate","CAS":"104344-23-2","CAS.Checksum":true,"DTXSID":"DTXSID1045794","Formula":"C40H66N2O12","All.Compound.Names":"Bisoprolol fumarate|Dtxsid1045794|104344-23-2","logHenry":-8.118,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6643,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.532,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.034,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.3,"MP.Reference":"EPA-CCD-OPERA","MW":767,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104344-23-2"}
{"Compound":"Ceftriaxone disodium trihydrate","CAS":"104376-79-6","CAS.Checksum":true,"DTXSID":"DTXSID5045887","Formula":"C36H46N16Na4O21S6","All.Compound.Names":"Ceftriaxone disodium trihydrate|Ceftriaxone disodium salt hemiheptahydrate|Dtxsid5045887|104376-79-6","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.066,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.44,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.349,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.3,"MP.Reference":"EPA-CCD-OPERA","MW":1323,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.82","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104376-79-6"}
{"Compound":"Quifenadine","CAS":"10447-39-9","CAS.Checksum":true,"DTXSID":"DTXSID6046187","Formula":"C20H23NO","All.Compound.Names":"Quifenadine|Dtxsid6046187|10447-39-9","logHenry":-6.931,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.399,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.958,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.072,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.7,"MP.Reference":"EPA-CCD-OPERA","MW":293.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10447-39-9"}
{"Compound":"Difethialone","CAS":"104653-34-1","CAS.Checksum":true,"DTXSID":"DTXSID4032374","Formula":"C31H23BrO2S","All.Compound.Names":"Difethialone|Dtxsid4032374","logHenry":-8.337,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.425,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.25,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.14,"logWSol.Reference":"EPA-CCD-OPERA","MP":234.5,"MP.Reference":"EPA-CCD-OPERA","MW":539.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104653-34-1"}
{"Compound":"3,4,5,6-tetrachloropyridine-2-carboxylic acid","CAS":"10469-09-7","CAS.Checksum":true,"DTXSID":"DTXSID2044509","Formula":"C6HCl4NO2","All.Compound.Names":"3,4,5,6-tetrachloropyridine-2-carboxylic acid|Dtxsid2044509|10469-09-7","logHenry":-8.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.018,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.956,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.571,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.6,"MP.Reference":"EPA-CCD-OPERA","MW":260.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10469-09-7"}
{"Compound":"Barnidipine hydrochloride","CAS":"104757-53-1","CAS.Checksum":true,"DTXSID":"DTXSID8048654","Formula":"C27H30ClN3O6","All.Compound.Names":"Barnidipine hydrochloride|Dtxsid8048654|104757-53-1","logHenry":-7.496,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.718,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.964,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.633,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.1,"MP.Reference":"EPA-CCD-OPERA","MW":528,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104757-53-1"}
{"Compound":"Ci-959","CAS":"104795-68-8","CAS.Checksum":true,"DTXSID":"DTXSID8047268","Formula":"C14H14N5NaO3S","All.Compound.Names":"Ci-959|Dtxsid8047268|104795-68-8","logHenry":-9.347,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.684,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.737,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.725,"logWSol.Reference":"EPA-CCD-OPERA","MP":171,"MP.Reference":"EPA-CCD-OPERA","MW":355.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104795-68-8"}
{"Compound":"(l)-alpha-terpineol","CAS":"10482-56-1","CAS.Checksum":true,"DTXSID":"DTXSID5052672","Formula":"C10H18O","All.Compound.Names":"(l)-alpha-terpineol|Dtxsid5052672|10482-56-1","logHenry":-5.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.981,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.174,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.263,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.11,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10482-56-1"}
{"Compound":"Arbekacin sulfate","CAS":"104931-87-5","CAS.Checksum":true,"DTXSID":"DTXSID0046694","Formula":"C22H46N6O14S","All.Compound.Names":"Arbekacin sulfate|Dtxsid0046694|104931-87-5","logHenry":-10.62,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7852,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.822,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7764,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.8,"MP.Reference":"EPA-CCD-OPERA","MW":650.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104931-87-5"}
{"Compound":"Sodium (2e)-4-(4-chlorophenyl)-4-hydroxybut-2-enoate hydrate","CAS":"1049737-99-6","CAS.Checksum":true,"DTXSID":"DTXSID7045786","Formula":"C10H10ClNaO4","All.Compound.Names":"Sodium (2e)-4-(4-chlorophenyl)-4-hydroxybut-2-enoate hydrate|Dtxsid7045786|1049737-99-6","logHenry":-8.819,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.281,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.369,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.007,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.6,"MP.Reference":"EPA-CCD-OPERA","MW":252.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1049737-99-6"}
{"Compound":"1,4-diethylbenzene","CAS":"105-05-5","CAS.Checksum":true,"DTXSID":"DTXSID4026711","Formula":"C10H14","All.Compound.Names":"1,4-diethylbenzene|Dtxsid4026711","logHenry":-2.094,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.577,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.00828,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.725,"logWSol.Reference":"EPA-CCD-OPERA","MP":-60.15,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-05-5"}
{"Compound":"1,4-divinylbenzene","CAS":"105-06-6","CAS.Checksum":true,"DTXSID":"DTXSID2033863","Formula":"C10H10","All.Compound.Names":"1,4-divinylbenzene|Dtxsid2033863","logHenry":-2.645,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.322,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9888,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.416,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.79,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-06-6"}
{"Compound":"1,4-cyclohexanedimethanol","CAS":"105-08-8","CAS.Checksum":true,"DTXSID":"DTXSID9026712","Formula":"C8H16O2","All.Compound.Names":"1,4-cyclohexanedimethanol|Dtxsid9026712|105-08-8","logHenry":-7.016,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.291,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.56,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1501,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.41,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-08-8"}
{"Compound":"P-benzoquinone dioxime","CAS":"105-11-3","CAS.Checksum":true,"DTXSID":"DTXSID8021222","Formula":"C6H6N2O2","All.Compound.Names":"P-benzoquinone dioxime|Dtxsid8021222|105-11-3","logHenry":-8.884,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.487,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.894,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.835,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.6,"MP.Reference":"EPA-CCD-OPERA","MW":138.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-11-3"}
{"Compound":"(4-methoxyphenyl)methanol","CAS":"105-13-5","CAS.Checksum":true,"DTXSID":"DTXSID6044357","Formula":"C8H10O2","All.Compound.Names":"(4-methoxyphenyl)methanol|4-methoxyl benzyl alcohol|Dtxsid6044357|105-13-5","logHenry":-8.627,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.1,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.299,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.836,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.11,"MP.Reference":"EPA-CCD-OPERA","MW":138.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"90.03","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0.9392,0.3242,1","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"105-13-5"}
{"Compound":"2-(diethylamino)ethyl methacrylate","CAS":"105-16-8","CAS.Checksum":true,"DTXSID":"DTXSID4026713","Formula":"C10H19NO2","All.Compound.Names":"2-(diethylamino)ethyl methacrylate|Dtxsid4026713|105-16-8","logHenry":-4.423,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.811,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.377,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8138,"logWSol.Reference":"EPA-CCD-OPERA","MP":-48.37,"MP.Reference":"EPA-CCD-OPERA","MW":185.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-16-8"}
{"Compound":"1,4-heptanolide","CAS":"105-21-5","CAS.Checksum":true,"DTXSID":"DTXSID5047611","Formula":"C7H12O2","All.Compound.Names":"1,4-heptanolide|Gamma-heptalactone|Dtxsid5047611","logHenry":-7.278,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.531,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.9,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.242,"logWSol.Reference":"EPA-CCD-OPERA","MP":-16.26,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-21-5"}
{"Compound":"2-methyl-1-pentanol","CAS":"105-30-6","CAS.Checksum":true,"DTXSID":"DTXSID9026714","Formula":"C6H14O","All.Compound.Names":"2-methyl-1-pentanol|Dtxsid9026714|105-30-6","logHenry":-4.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.639,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.728,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.163,"logWSol.Reference":"EPA-CCD-OPERA","MP":-43.26,"MP.Reference":"EPA-CCD-OPERA","MW":102.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-30-6"}
{"Compound":"Hex-1-yn-3-ol","CAS":"105-31-7","CAS.Checksum":true,"DTXSID":"DTXSID4051536","Formula":"C6H10O","All.Compound.Names":"Hex-1-yn-3-ol|Dtxsid4051536|105-31-7","logHenry":-5.118,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6702,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.589,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4109,"logWSol.Reference":"EPA-CCD-OPERA","MP":-79.5,"MP.Reference":"EPA-CCD-OPERA","MW":98.14,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-31-7"}
{"Compound":"Methyl cyanoacetate","CAS":"105-34-0","CAS.Checksum":true,"DTXSID":"DTXSID8033649","Formula":"C4H5NO2","All.Compound.Names":"Methyl cyanoacetate|Dtxsid8033649","logHenry":-7.559,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4702,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.557,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3579,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.46,"MP.Reference":"EPA-CCD-OPERA","MW":99.09,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-34-0"}
{"Compound":"Ethyl bromoacetate","CAS":"105-36-2","CAS.Checksum":true,"DTXSID":"DTXSID4020587","Formula":"C4H7BrO2","All.Compound.Names":"Ethyl bromoacetate|Dtxsid4020587","logHenry":-4.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.12,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.508,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.758,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.7,"MP.Reference":"EPA-CCD-OPERA","MW":167,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-36-2"}
{"Compound":"Ethyl propionate","CAS":"105-37-3","CAS.Checksum":true,"DTXSID":"DTXSID1040110","Formula":"C5H10O2","All.Compound.Names":"Ethyl propionate|Dtxsid1040110","logHenry":-3.683,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.211,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.978,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6834,"logWSol.Reference":"EPA-CCD-OPERA","MP":-76.64,"MP.Reference":"EPA-CCD-OPERA","MW":102.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-37-3"}
{"Compound":"Ethyl chloroacetate","CAS":"105-39-5","CAS.Checksum":true,"DTXSID":"DTXSID4026715","Formula":"C4H7ClO2","All.Compound.Names":"Ethyl chloroacetate|Dtxsid4026715","logHenry":-3.708,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9407,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.802,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7986,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.1,"MP.Reference":"EPA-CCD-OPERA","MW":122.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-39-5"}
{"Compound":"N-hydroxy-4-methylpentan-2-imine","CAS":"105-44-2","CAS.Checksum":true,"DTXSID":"DTXSID6044771","Formula":"C6H13NO","All.Compound.Names":"N-hydroxy-4-methylpentan-2-imine|N-(4-methyl-2-pentanylidene)hydroxylamine|Dtxsid6044771|105-44-2","logHenry":-6.084,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1255,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.339,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.069,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.79,"MP.Reference":"EPA-CCD-OPERA","MW":115.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-44-2"}
{"Compound":"Methyl acetoacetate","CAS":"105-45-3","CAS.Checksum":true,"DTXSID":"DTXSID9026716","Formula":"C5H8O3","All.Compound.Names":"Methyl acetoacetate|Dtxsid9026716","logHenry":-6.449,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1852,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.832,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.629,"logWSol.Reference":"EPA-CCD-OPERA","MP":-49.75,"MP.Reference":"EPA-CCD-OPERA","MW":116.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-45-3"}
{"Compound":"Diethyl propanedioate","CAS":"105-53-3","CAS.Checksum":true,"DTXSID":"DTXSID7021863","Formula":"C7H12O4","All.Compound.Names":"Diethyl propanedioate|Dtxsid7021863","logHenry":-4.939,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9588,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.563,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8213,"logWSol.Reference":"EPA-CCD-OPERA","MP":-49.56,"MP.Reference":"EPA-CCD-OPERA","MW":160.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-53-3"}
{"Compound":"Ethyl butyrate","CAS":"105-54-4","CAS.Checksum":true,"DTXSID":"DTXSID6040111","Formula":"C6H12O2","All.Compound.Names":"Ethyl butyrate|Dtxsid6040111","logHenry":-3.517,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.711,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.896,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.294,"logWSol.Reference":"EPA-CCD-OPERA","MP":-94.24,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-54-4"}
{"Compound":"N,n'-diethylthiourea","CAS":"105-55-5","CAS.Checksum":true,"DTXSID":"DTXSID8020466","Formula":"C5H12N2S","All.Compound.Names":"N,n'-diethylthiourea|Dtxsid8020466|105-55-5","logHenry":-8.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5711,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.011,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.455,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.07,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-55-5"}
{"Compound":"Ethyl cyanoacetate","CAS":"105-56-6","CAS.Checksum":true,"DTXSID":"DTXSID9026718","Formula":"C5H7NO2","All.Compound.Names":"Ethyl cyanoacetate|Dtxsid9026718","logHenry":-6.984,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3881,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.025,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7395,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.89,"MP.Reference":"EPA-CCD-OPERA","MW":113.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-56-6"}
{"Compound":"Acetal","CAS":"105-57-7","CAS.Checksum":true,"DTXSID":"DTXSID6030607","Formula":"C6H14O2","All.Compound.Names":"Acetal|Dtxsid6030607","logHenry":-4.033,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8397,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.825,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4341,"logWSol.Reference":"EPA-CCD-OPERA","MP":-99.52,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-57-7"}
{"Compound":"Diethyl carbonate","CAS":"105-58-8","CAS.Checksum":true,"DTXSID":"DTXSID3025041","Formula":"C5H10O3","All.Compound.Names":"Diethyl carbonate|Dtxsid3025041","logHenry":-3.899,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.209,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.018,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7949,"logWSol.Reference":"EPA-CCD-OPERA","MP":-43.04,"MP.Reference":"EPA-CCD-OPERA","MW":118.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-58-8"}
{"Compound":"N-methyldiethanolamine","CAS":"105-59-9","CAS.Checksum":true,"DTXSID":"DTXSID8025591","Formula":"C5H13NO2","All.Compound.Names":"N-methyldiethanolamine|Dtxsid8025591|105-59-9","logHenry":-8.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.064,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9239,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21,"MP.Reference":"EPA-CCD-OPERA","MW":119.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-59-9"}
{"Compound":"Dibutyl maleate","CAS":"105-76-0","CAS.Checksum":true,"DTXSID":"DTXSID3026724","Formula":"C12H20O4","All.Compound.Names":"Dibutyl maleate|Dtxsid3026724","logHenry":-6.944,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.494,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.41,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.661,"logWSol.Reference":"EPA-CCD-OPERA","MP":-83.78,"MP.Reference":"EPA-CCD-OPERA","MW":228.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-76-0"}
{"Compound":"3,7-dimethyloct-6-en-1-yl formate","CAS":"105-85-1","CAS.Checksum":true,"DTXSID":"DTXSID1044772","Formula":"C11H20O2","All.Compound.Names":"3,7-dimethyloct-6-en-1-yl formate|Citronellyl formate|Dtxsid1044772","logHenry":-3.675,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.181,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.315,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.724,"logWSol.Reference":"EPA-CCD-OPERA","MP":-48.21,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-85-1"}
{"Compound":"(2e)-3,7-dimethylocta-2,6-dien-1-yl formate","CAS":"105-86-2","CAS.Checksum":true,"DTXSID":"DTXSID0047614","Formula":"C11H18O2","All.Compound.Names":"(2e)-3,7-dimethylocta-2,6-dien-1-yl formate|Geranyl formate|Dtxsid0047614","logHenry":-3.835,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.772,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.003,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.885,"logWSol.Reference":"EPA-CCD-OPERA","MP":-60.58,"MP.Reference":"EPA-CCD-OPERA","MW":182.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-86-2"}
{"Compound":"Geranyl propionate","CAS":"105-90-8","CAS.Checksum":true,"DTXSID":"DTXSID8051540","Formula":"C13H22O2","All.Compound.Names":"Geranyl propionate|Dtxsid8051540","logHenry":-4.212,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.376,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.252,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.612,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.4,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-90-8"}
{"Compound":"1,4-dioxacycloheptadecane-5,17-dione","CAS":"105-95-3","CAS.Checksum":true,"DTXSID":"DTXSID1044774","Formula":"C15H26O4","All.Compound.Names":"1,4-dioxacycloheptadecane-5,17-dione|Dtxsid1044774","logHenry":-7.902,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.724,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.546,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.721,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.28,"MP.Reference":"EPA-CCD-OPERA","MW":270.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-95-3"}
{"Compound":"Benzilonium bromide","CAS":"1050-48-2","CAS.Checksum":true,"DTXSID":"DTXSID1057612","Formula":"C22H28BrNO3","All.Compound.Names":"Benzilonium bromide|Dtxsid1057612|1050-48-2","logHenry":-8.476,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.554,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.44,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.311,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.5,"MP.Reference":"EPA-CCD-OPERA","MW":434.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1050-48-2"}
{"Compound":"Moperone","CAS":"1050-79-9","CAS.Checksum":true,"DTXSID":"DTXSID6049062","Formula":"C22H26FNO2","All.Compound.Names":"Moperone|Dtxsid6049062","logHenry":-8.08,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.883,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.595,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.399,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.4,"MP.Reference":"EPA-CCD-OPERA","MW":355.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1050-79-9"}
{"Compound":"Apafant","CAS":"105219-56-5","CAS.Checksum":true,"DTXSID":"DTXSID5048974","Formula":"C22H22ClN5O2S","All.Compound.Names":"Apafant|Dtxsid5048974|105219-56-5","logHenry":-8.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.932,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.745,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.255,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.7,"MP.Reference":"EPA-CCD-OPERA","MW":456,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105219-56-5"}
{"Compound":"10-chloro-9-anthraldehyde","CAS":"10527-16-9","CAS.Checksum":true,"DTXSID":"DTXSID8049202","Formula":"C15H9ClO","All.Compound.Names":"10-chloro-9-anthraldehyde|Dtxsid8049202","logHenry":-5.176,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.342,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.187,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.572,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.3,"MP.Reference":"EPA-CCD-OPERA","MW":240.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10527-16-9"}
{"Compound":"Moxaverine","CAS":"10539-19-2","CAS.Checksum":true,"DTXSID":"DTXSID6057613","Formula":"C20H21NO2","All.Compound.Names":"Moxaverine|Dtxsid6057613|10539-19-2","logHenry":-5.369,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.809,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.511,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.907,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.59,"MP.Reference":"EPA-CCD-OPERA","MW":307.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.11","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10539-19-2"}
{"Compound":"Spiroxatrine","CAS":"1054-88-2","CAS.Checksum":true,"DTXSID":"DTXSID3045198","Formula":"C22H25N3O3","All.Compound.Names":"Spiroxatrine|Dtxsid3045198|1054-88-2","logHenry":-8.168,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.299,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.984,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.682,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.6,"MP.Reference":"EPA-CCD-OPERA","MW":379.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.52","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1054-88-2"}
{"Compound":"Linopirdine","CAS":"105431-72-9","CAS.Checksum":true,"DTXSID":"DTXSID6045163","Formula":"C26H21N3O","All.Compound.Names":"Linopirdine|1,3-dihydro-1-phenyl-3,3-bis(4-pyridinylmethyl)-2h-indol-2-one|Dtxsid6045163|105431-72-9","logHenry":-6.929,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.563,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.119,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.288,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.5,"MP.Reference":"EPA-CCD-OPERA","MW":391.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105431-72-9"}
{"Compound":"Bunamidine hydrochloride","CAS":"1055-55-6","CAS.Checksum":true,"DTXSID":"DTXSID7046837","Formula":"C25H39ClN2O","All.Compound.Names":"Bunamidine hydrochloride|Dtxsid7046837|1055-55-6","logHenry":-8.679,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8102,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.579,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.536,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.2,"MP.Reference":"EPA-CCD-OPERA","MW":419,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1055-55-6"}
{"Compound":"Nitrothal-isopropyl","CAS":"10552-74-6","CAS.Checksum":true,"DTXSID":"DTXSID5037579","Formula":"C14H17NO6","All.Compound.Names":"Nitrothal-isopropyl|Dtxsid5037579|10552-74-6","logHenry":-7.713,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.756,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.452,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.037,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.03,"MP.Reference":"EPA-CCD-OPERA","MW":295.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10552-74-6"}
{"Compound":"Exametazime","CAS":"105613-48-7","CAS.Checksum":true,"DTXSID":"DTXSID1057614","Formula":"C13H28N4O2","All.Compound.Names":"Exametazime|Dtxsid1057614|105613-48-7","logHenry":-11.26,"logHenry.Reference":"OPERA29","logP":-0.09,"logP.Reference":"OPERA29","logWSol":-2.25,"logWSol.Reference":"OPERA29","MP":0,"MP.Reference":"OPERA29","MW":272.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105613-48-7"}
{"Compound":"Fasudil hydrochloride","CAS":"105628-07-7","CAS.Checksum":true,"DTXSID":"DTXSID1045615","Formula":"C14H18ClN3O2S","All.Compound.Names":"Fasudil hydrochloride|Dtxsid1045615|105628-07-7","logHenry":-7.144,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6231,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.447,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.8,"MP.Reference":"EPA-CCD-OPERA","MW":327.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105628-07-7"}
{"Compound":"Dimethyldipropylenetriamine","CAS":"10563-29-8","CAS.Checksum":true,"DTXSID":"DTXSID2033445","Formula":"C8H21N3","All.Compound.Names":"Dimethyldipropylenetriamine|Dtxsid2033445|10563-29-8","logHenry":-7.298,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1388,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.921,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1639,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.224,"MP.Reference":"EPA-CCD-OPERA","MW":159.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10563-29-8"}
{"Compound":"Melitracen hydrochloride","CAS":"10563-70-9","CAS.Checksum":true,"DTXSID":"DTXSID7046835","Formula":"C21H26ClN","All.Compound.Names":"Melitracen hydrochloride|Dtxsid7046835|10563-70-9","logHenry":-6.851,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9338,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.248,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.228,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.4,"MP.Reference":"EPA-CCD-OPERA","MW":327.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10563-70-9"}
{"Compound":"Doxycycline hydrochloride","CAS":"10592-13-9","CAS.Checksum":true,"DTXSID":"DTXSID1045405","Formula":"C22H25ClN2O8","All.Compound.Names":"Doxycycline hydrochloride|Dtxsid1045405|10592-13-9","logHenry":-10.92,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.026,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.855,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.8,"MP.Reference":"EPA-CCD-OPERA","MW":480.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10592-13-9"}
{"Compound":"Ethylene glycol phenyl ether methacrylate","CAS":"10595-06-9","CAS.Checksum":true,"DTXSID":"DTXSID6044773","Formula":"C12H14O3","All.Compound.Names":"Ethylene glycol phenyl ether methacrylate|Dtxsid6044773","logHenry":-6.134,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.79,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.889,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.687,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.65,"MP.Reference":"EPA-CCD-OPERA","MW":206.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10595-06-9"}
{"Compound":"Propanoic acid, 3,3'-thiobis-, ditridecyl ester","CAS":"10595-72-9","CAS.Checksum":true,"DTXSID":"DTXSID5027728","Formula":"C32H62O4S","All.Compound.Names":"Propanoic acid, 3,3'-thiobis-, ditridecyl ester|Di(tridecyl) thiodipropionate|Dtxsid5027728","logHenry":-7.472,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.566,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.11,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.261,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.77,"MP.Reference":"EPA-CCD-OPERA","MW":542.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10595-72-9"}
{"Compound":"N-nitroso-n-methylethylamine","CAS":"10595-95-6","CAS.Checksum":true,"DTXSID":"DTXSID6021036","Formula":"C3H8N2O","All.Compound.Names":"N-nitroso-n-methylethylamine|Dtxsid6021036|10595-95-6","logHenry":-4.191,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.03994,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.948,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.532,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.448,"MP.Reference":"EPA-CCD-OPERA","MW":88.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10595-95-6"}
{"Compound":"3-acetyl-2,5-dimethylfuran","CAS":"10599-70-9","CAS.Checksum":true,"DTXSID":"DTXSID1030317","Formula":"C8H10O2","All.Compound.Names":"3-acetyl-2,5-dimethylfuran|Dtxsid1030317|10599-70-9","logHenry":-5.591,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.601,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.831,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.881,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.4,"MP.Reference":"EPA-CCD-OPERA","MW":138.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10599-70-9"}
{"Compound":"Pentadecan-15-olide","CAS":"106-02-5","CAS.Checksum":true,"DTXSID":"DTXSID6044359","Formula":"C15H28O2","All.Compound.Names":"Pentadecan-15-olide|Dtxsid6044359","logHenry":-7.729,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.777,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.855,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.425,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.94,"MP.Reference":"EPA-CCD-OPERA","MW":240.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-02-5"}
{"Compound":"12-hydroxyoctadecanoic acid","CAS":"106-14-9","CAS.Checksum":true,"DTXSID":"DTXSID8026725","Formula":"C18H36O3","All.Compound.Names":"12-hydroxyoctadecanoic acid|Dtxsid8026725|106-14-9","logHenry":-8.163,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.917,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.261,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.137,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.78,"MP.Reference":"EPA-CCD-OPERA","MW":300.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-14-9"}
{"Compound":"Dipropyl hexanedioate","CAS":"106-19-4","CAS.Checksum":true,"DTXSID":"DTXSID6044511","Formula":"C12H22O4","All.Compound.Names":"Dipropyl hexanedioate|Dtxsid6044511","logHenry":-6.909,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.428,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.477,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.669,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.5,"MP.Reference":"EPA-CCD-OPERA","MW":230.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-19-4"}
{"Compound":"2,2'-diethylhexylamine","CAS":"106-20-7","CAS.Checksum":true,"DTXSID":"DTXSID7025053","Formula":"C16H35N","All.Compound.Names":"2,2'-diethylhexylamine|2-ethyl-n-(2-ethylhexyl)-1-hexanamine|Dtxsid7025053|106-20-7","logHenry":-4.683,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.455,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.057,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.19,"logWSol.Reference":"EPA-CCD-OPERA","MP":-59.72,"MP.Reference":"EPA-CCD-OPERA","MW":241.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-20-7"}
{"Compound":"3,7-dimethyloctan-1-ol","CAS":"106-21-8","CAS.Checksum":true,"DTXSID":"DTXSID5044360","Formula":"C10H22O","All.Compound.Names":"3,7-dimethyloctan-1-ol|Dtxsid5044360|106-21-8","logHenry":-4.649,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.757,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.107,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.349,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.545,"MP.Reference":"EPA-CCD-OPERA","MW":158.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-21-8"}
{"Compound":"Citronellol","CAS":"106-22-9","CAS.Checksum":true,"DTXSID":"DTXSID3026726","Formula":"C10H20O","All.Compound.Names":"Citronellol|Dtxsid3026726|106-22-9","logHenry":-5.295,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.909,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.467,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.675,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.674,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-22-9"}
{"Compound":"Citronellal","CAS":"106-23-0","CAS.Checksum":true,"DTXSID":"DTXSID3041790","Formula":"C10H18O","All.Compound.Names":"Citronellal|Dtxsid3041790","logHenry":-3.755,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.827,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.037,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.822,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.05,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-23-0"}
{"Compound":"Geraniol","CAS":"106-24-1","CAS.Checksum":true,"DTXSID":"DTXSID8026727","Formula":"C10H18O","All.Compound.Names":"Geraniol|(2e)-3,7-dimethyl-2,6-octadien-1-ol|Dtxsid8026727|106-24-1","logHenry":-6.251,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.558,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.088,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.822,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.783,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-24-1"}
{"Compound":"(2z)-3,7-dimethylocta-2,6-dien-1-ol","CAS":"106-25-2","CAS.Checksum":true,"DTXSID":"DTXSID3026728","Formula":"C10H18O","All.Compound.Names":"(2z)-3,7-dimethylocta-2,6-dien-1-ol|Nerol|(z)-nerol|Dtxsid3026728|106-25-2","logHenry":-6.251,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.558,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.088,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.822,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.783,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.57","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0,0,0","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"106-25-2"}
{"Compound":"Isopentyl butyrate","CAS":"106-27-4","CAS.Checksum":true,"DTXSID":"DTXSID3042059","Formula":"C9H18O2","All.Compound.Names":"Isopentyl butyrate|Dtxsid3042059","logHenry":-3.273,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.233,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.201,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.788,"logWSol.Reference":"EPA-CCD-OPERA","MP":-73.2,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-27-4"}
{"Compound":"Geranyl butyrate","CAS":"106-29-6","CAS.Checksum":true,"DTXSID":"DTXSID1047152","Formula":"C14H24O2","All.Compound.Names":"Geranyl butyrate|Dtxsid1047152","logHenry":-4.261,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.764,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.489,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.101,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.92,"MP.Reference":"EPA-CCD-OPERA","MW":224.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-29-6"}
{"Compound":"Ethyl heptanoate","CAS":"106-30-9","CAS.Checksum":true,"DTXSID":"DTXSID1040112","Formula":"C9H18O2","All.Compound.Names":"Ethyl heptanoate|Dtxsid1040112","logHenry":-3.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.251,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.202,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.735,"logWSol.Reference":"EPA-CCD-OPERA","MP":-65.05,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-30-9"}
{"Compound":"Butanoic anhydride","CAS":"106-31-0","CAS.Checksum":true,"DTXSID":"DTXSID8026729","Formula":"C8H14O3","All.Compound.Names":"Butanoic anhydride|Dtxsid8026729","logHenry":-4.49,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.527,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.9,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.109,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.76,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-31-0"}
{"Compound":"Ethyl octanoate","CAS":"106-32-1","CAS.Checksum":true,"DTXSID":"DTXSID8051542","Formula":"C10H20O2","All.Compound.Names":"Ethyl octanoate|Dtxsid8051542","logHenry":-3.586,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.969,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.094,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.392,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.93,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-32-1"}
{"Compound":"Ethyl dodecanoate","CAS":"106-33-2","CAS.Checksum":true,"DTXSID":"DTXSID4047044","Formula":"C14H28O2","All.Compound.Names":"Ethyl dodecanoate|Dtxsid4047044","logHenry":-5.076,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.71,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.538,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.068,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.49,"MP.Reference":"EPA-CCD-OPERA","MW":228.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-33-2"}
{"Compound":"Propyl propionate","CAS":"106-36-5","CAS.Checksum":true,"DTXSID":"DTXSID4042337","Formula":"C6H12O2","All.Compound.Names":"Propyl propionate|Dtxsid4042337","logHenry":-3.517,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.775,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.832,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.338,"logWSol.Reference":"EPA-CCD-OPERA","MP":-78.18,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-36-5"}
{"Compound":"1,4-dibromobenzene","CAS":"106-37-6","CAS.Checksum":true,"DTXSID":"DTXSID4024012","Formula":"C6H4Br2","All.Compound.Names":"1,4-dibromobenzene|Dtxsid4024012","logHenry":-2.826,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.79,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.418,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.008,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.86,"MP.Reference":"EPA-CCD-OPERA","MW":235.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-37-6"}
{"Compound":"4-bromotoluene","CAS":"106-38-7","CAS.Checksum":true,"DTXSID":"DTXSID7024661","Formula":"C7H7Br","All.Compound.Names":"4-bromotoluene|Dtxsid7024661","logHenry":-2.632,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.422,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8884,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.235,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.63,"MP.Reference":"EPA-CCD-OPERA","MW":171,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-38-7"}
{"Compound":"4-bromoaniline","CAS":"106-40-1","CAS.Checksum":true,"DTXSID":"DTXSID7021867","Formula":"C6H6BrN","All.Compound.Names":"4-bromoaniline|Dtxsid7021867|106-40-1","logHenry":-6.896,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.259,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.103,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.386,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.84,"MP.Reference":"EPA-CCD-OPERA","MW":172,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-40-1"}
{"Compound":"P-xylene","CAS":"106-42-3","CAS.Checksum":true,"DTXSID":"DTXSID2021868","Formula":"C8H10","All.Compound.Names":"P-xylene|Dtxsid2021868","logHenry":-2.162,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.15,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.691,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.797,"logWSol.Reference":"EPA-CCD-OPERA","MP":-20.39,"MP.Reference":"EPA-CCD-OPERA","MW":106.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-42-3"}
{"Compound":"4-chlorotoluene","CAS":"106-43-4","CAS.Checksum":true,"DTXSID":"DTXSID8024814","Formula":"C7H7Cl","All.Compound.Names":"4-chlorotoluene|Dtxsid8024814","logHenry":-2.808,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.33,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8123,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.242,"logWSol.Reference":"EPA-CCD-OPERA","MP":-19.87,"MP.Reference":"EPA-CCD-OPERA","MW":126.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-43-4"}
{"Compound":"4-thiocresol","CAS":"106-45-6","CAS.Checksum":true,"DTXSID":"DTXSID5048188","Formula":"C7H8S","All.Compound.Names":"4-thiocresol|Dtxsid5048188|106-45-6","logHenry":-3.558,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.455,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.485,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.501,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.08,"MP.Reference":"EPA-CCD-OPERA","MW":124.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-45-6"}
{"Compound":"1,4-benzenediamine","CAS":"106-50-3","CAS.Checksum":true,"DTXSID":"DTXSID9021138","Formula":"C6H8N2","All.Compound.Names":"1,4-benzenediamine|Dtxsid9021138|106-50-3","logHenry":-7.246,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2986,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.965,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.407,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.8,"MP.Reference":"EPA-CCD-OPERA","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-50-3"}
{"Compound":"1,4-benzoquinone","CAS":"106-51-4","CAS.Checksum":true,"DTXSID":"DTXSID6020145","Formula":"C6H4O2","All.Compound.Names":"1,4-benzoquinone|Dtxsid6020145","logHenry":-5.944,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2024,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.94,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7705,"logWSol.Reference":"EPA-CCD-OPERA","MP":115.4,"MP.Reference":"EPA-CCD-OPERA","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-51-4"}
{"Compound":"1,4-dimethylpiperazine","CAS":"106-58-1","CAS.Checksum":true,"DTXSID":"DTXSID8051544","Formula":"C6H14N2","All.Compound.Names":"1,4-dimethylpiperazine|Dtxsid8051544|106-58-1","logHenry":-4.546,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3988,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.346,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8927,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.705,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-58-1"}
{"Compound":"Isobutyl acrylate","CAS":"106-63-8","CAS.Checksum":true,"DTXSID":"DTXSID1021873","Formula":"C7H12O2","All.Compound.Names":"Isobutyl acrylate|Dtxsid1021873","logHenry":-3.423,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.221,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.94,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.532,"logWSol.Reference":"EPA-CCD-OPERA","MP":-60.7,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-63-8"}
{"Compound":"3-octanone","CAS":"106-68-3","CAS.Checksum":true,"DTXSID":"DTXSID3041954","Formula":"C8H16O","All.Compound.Names":"3-octanone|Dtxsid3041954","logHenry":-3.813,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.457,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.102,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.694,"logWSol.Reference":"EPA-CCD-OPERA","MP":-12.77,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-68-3"}
{"Compound":"1,2,6-hexanetriol","CAS":"106-69-4","CAS.Checksum":true,"DTXSID":"DTXSID0041224","Formula":"C6H14O3","All.Compound.Names":"1,2,6-hexanetriol|Dtxsid0041224|106-69-4","logHenry":-8.527,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7641,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.022,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3613,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.2,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-69-4"}
{"Compound":"2-cyanoethyl prop-2-enoate","CAS":"106-71-8","CAS.Checksum":true,"DTXSID":"DTXSID1044776","Formula":"C6H7NO2","All.Compound.Names":"2-cyanoethyl prop-2-enoate|Dtxsid1044776","logHenry":-6.754,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3691,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.373,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1719,"logWSol.Reference":"EPA-CCD-OPERA","MP":-37.76,"MP.Reference":"EPA-CCD-OPERA","MW":125.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-71-8"}
{"Compound":"2,6-dimethylhept-5-enal","CAS":"106-72-9","CAS.Checksum":true,"DTXSID":"DTXSID8044753","Formula":"C9H16O","All.Compound.Names":"2,6-dimethylhept-5-enal|Dtxsid8044753","logHenry":-3.904,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.145,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.285,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.303,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.424,"MP.Reference":"EPA-CCD-OPERA","MW":140.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-72-9"}
{"Compound":"Carbonochloridic acid, oxydi-2,1-ethanediyl ester","CAS":"106-75-2","CAS.Checksum":true,"DTXSID":"DTXSID2026739","Formula":"C6H8Cl2O5","All.Compound.Names":"Carbonochloridic acid, oxydi-2,1-ethanediyl ester|Diethlylene glycol bis chloroformate|Dtxsid2026739","logHenry":-8.257,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7964,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.925,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.753,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.61,"MP.Reference":"EPA-CCD-OPERA","MW":231,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-75-2"}
{"Compound":"Dimethyl decanedioate","CAS":"106-79-6","CAS.Checksum":true,"DTXSID":"DTXSID1026740","Formula":"C12H22O4","All.Compound.Names":"Dimethyl decanedioate|Dtxsid1026740","logHenry":-6.994,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.687,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.218,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.278,"logWSol.Reference":"EPA-CCD-OPERA","MP":36.55,"MP.Reference":"EPA-CCD-OPERA","MW":230.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-79-6"}
{"Compound":"1,2-epoxybutane","CAS":"106-88-7","CAS.Checksum":true,"DTXSID":"DTXSID6020569","Formula":"C4H8O","All.Compound.Names":"1,2-epoxybutane|Dtxsid6020569","logHenry":-3.885,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.07,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.606,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.06938,"logWSol.Reference":"EPA-CCD-OPERA","MP":-100.2,"MP.Reference":"EPA-CCD-OPERA","MW":72.11,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-88-7"}
{"Compound":"Epichlorohydrin","CAS":"106-89-8","CAS.Checksum":true,"DTXSID":"DTXSID1020566","Formula":"C3H5ClO","All.Compound.Names":"Epichlorohydrin|Dtxsid1020566","logHenry":-4.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4516,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.378,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1481,"logWSol.Reference":"EPA-CCD-OPERA","MP":-41.68,"MP.Reference":"EPA-CCD-OPERA","MW":92.52,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-89-8"}
{"Compound":"Glycidyl methacrylate","CAS":"106-91-2","CAS.Checksum":true,"DTXSID":"DTXSID0025361","Formula":"C7H10O3","All.Compound.Names":"Glycidyl methacrylate|Dtxsid0025361","logHenry":-4.557,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8009,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.325,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.00547,"logWSol.Reference":"EPA-CCD-OPERA","MP":-31.8,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-91-2"}
{"Compound":"Allyl glycidyl ether","CAS":"106-92-3","CAS.Checksum":true,"DTXSID":"DTXSID9039232","Formula":"C6H10O2","All.Compound.Names":"Allyl glycidyl ether|Dtxsid9039232","logHenry":-4.438,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6081,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.406,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1782,"logWSol.Reference":"EPA-CCD-OPERA","MP":-20.68,"MP.Reference":"EPA-CCD-OPERA","MW":114.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-92-3"}
{"Compound":"1,2-dibromoethane","CAS":"106-93-4","CAS.Checksum":true,"DTXSID":"DTXSID3020415","Formula":"C2H4Br2","All.Compound.Names":"1,2-dibromoethane|Dtxsid3020415","logHenry":-3.187,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.961,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.693,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.676,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.23,"MP.Reference":"EPA-CCD-OPERA","MW":187.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-93-4"}
{"Compound":"1-bromopropane","CAS":"106-94-5","CAS.Checksum":true,"DTXSID":"DTXSID6021874","Formula":"C3H7Br","All.Compound.Names":"1-bromopropane|Dtxsid6021874","logHenry":-2.636,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.1,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6971,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.722,"logWSol.Reference":"EPA-CCD-OPERA","MP":-109.9,"MP.Reference":"EPA-CCD-OPERA","MW":123,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-94-5"}
{"Compound":"Allyl bromide","CAS":"106-95-6","CAS.Checksum":true,"DTXSID":"DTXSID8024442","Formula":"C3H5Br","All.Compound.Names":"Allyl bromide|Dtxsid8024442","logHenry":-2.602,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.79,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.055,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.5,"logWSol.Reference":"EPA-CCD-OPERA","MP":-119,"MP.Reference":"EPA-CCD-OPERA","MW":121,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-95-6"}
{"Compound":"Rufloxacin hydrochloride","CAS":"106017-08-7","CAS.Checksum":true,"DTXSID":"DTXSID0045709","Formula":"C17H19ClFN3O3S","All.Compound.Names":"Rufloxacin hydrochloride|Dtxsid0045709|106017-08-7","logHenry":-8.839,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8702,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.489,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.217,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.7,"MP.Reference":"EPA-CCD-OPERA","MW":399.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106017-08-7"}
{"Compound":"1-benzylpiperazine difumarate","CAS":"106133-22-6","CAS.Checksum":true,"DTXSID":"DTXSID7048902","Formula":"C19H24N2O8","All.Compound.Names":"1-benzylpiperazine difumarate|Dtxsid7048902|106133-22-6","logHenry":-6.327,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6789,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.889,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.063,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.8,"MP.Reference":"EPA-CCD-OPERA","MW":408.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106133-22-6"}
{"Compound":"Ro 22-9194","CAS":"106134-33-2","CAS.Checksum":true,"DTXSID":"DTXSID4048775","Formula":"C19H27Cl2N3O","All.Compound.Names":"Ro 22-9194|Dtxsid4048775|106134-33-2","logHenry":-9.159,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.001,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.437,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.904,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.6,"MP.Reference":"EPA-CCD-OPERA","MW":384.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106134-33-2"}
{"Compound":"Pharmagsid_47337","CAS":"1061517-62-1","CAS.Checksum":true,"DTXSID":"DTXSID4047337","Formula":"C34H31N4NaO4","All.Compound.Names":"Pharmagsid_47337|Dtxsid4047337|1061517-62-1","logHenry":-7.492,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.663,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.991,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.44,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.1,"MP.Reference":"EPA-CCD-OPERA","MW":582.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.17","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1061517-62-1"}
{"Compound":"Pharmagsid_48511","CAS":"1062243-51-9","CAS.Checksum":true,"DTXSID":"DTXSID4048511","Formula":"C27H35F2N7O3","All.Compound.Names":"Pharmagsid_48511|Ro 3280|Dtxsid4048511|1062243-51-9","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.742,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.998,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.273,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.5,"MP.Reference":"EPA-CCD-OPERA","MW":543.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.45","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1062243-51-9"}
{"Compound":"Rufinamide","CAS":"106308-44-5","CAS.Checksum":true,"DTXSID":"DTXSID1046506","Formula":"C10H8F2N4O","All.Compound.Names":"Rufinamide|106308-44-5|Dtxsid1046506","logHenry":-9.937,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.332,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.186,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.918,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.1,"MP.Reference":"EPA-CCD-OPERA","MW":238.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.17","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.85,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"106308-44-5"}
{"Compound":"Tamsulosin hydrochloride","CAS":"106463-17-6","CAS.Checksum":true,"DTXSID":"DTXSID2046628","Formula":"C20H29ClN2O5S","All.Compound.Names":"Tamsulosin hydrochloride|Dtxsid2046628|106463-17-6","logHenry":-9.683,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.098,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.354,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.681,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.9,"MP.Reference":"EPA-CCD-OPERA","MW":445,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106463-17-6"}
{"Compound":"Sertindole","CAS":"106516-24-9","CAS.Checksum":true,"DTXSID":"DTXSID6048967","Formula":"C24H26ClFN4O","All.Compound.Names":"Sertindole|106516-24-9|Dtxsid6048967","logHenry":-8.155,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.551,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.62,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.713,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.5,"MP.Reference":"EPA-CCD-OPERA","MW":441,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.58","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.74,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"106516-24-9"}
{"Compound":"Fropenem","CAS":"106560-14-9","CAS.Checksum":true,"DTXSID":"DTXSID0046430","Formula":"C12H15NO5S","All.Compound.Names":"Fropenem|Dtxsid0046430|106560-14-9","logHenry":-9.449,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6911,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.523,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.955,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.4,"MP.Reference":"EPA-CCD-OPERA","MW":285.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.84","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106560-14-9"}
{"Compound":"Chromium(iii) acetate","CAS":"1066-30-4","CAS.Checksum":true,"DTXSID":"DTXSID4020327","Formula":"C6H9CrO6","All.Compound.Names":"Chromium(iii) acetate|Chromium triacetate|Dtxsid4020327|1066-30-4","logHenry":-6.998,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.559,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.789,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":247.8,"MP.Reference":"EPA-CCD-OPERA","MW":229.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1066-30-4"}
{"Compound":"Adapalene","CAS":"106685-40-9","CAS.Checksum":true,"DTXSID":"DTXSID5046481","Formula":"C28H28O3","All.Compound.Names":"Adapalene|Dtxsid5046481|106685-40-9","logHenry":-8.121,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.904,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.331,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.817,"logWSol.Reference":"EPA-CCD-OPERA","MP":246.9,"MP.Reference":"EPA-CCD-OPERA","MW":412.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106685-40-9"}
{"Compound":"Trimethoxypropylsilane","CAS":"1067-25-0","CAS.Checksum":true,"DTXSID":"DTXSID6042494","Formula":"C6H16O3Si","All.Compound.Names":"Trimethoxypropylsilane|Dtxsid6042494","logHenry":-3.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.035,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.98,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9016,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.78,"MP.Reference":"EPA-CCD-OPERA","MW":164.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1067-25-0"}
{"Compound":"Dibutyltin diacetate","CAS":"1067-33-0","CAS.Checksum":true,"DTXSID":"DTXSID3020419","Formula":"C12H24O4Sn","All.Compound.Names":"Dibutyltin diacetate","MW":351,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1067-33-0"}
{"Compound":"Tris(2-methoxyethoxy)vinylsilane","CAS":"1067-53-4","CAS.Checksum":true,"DTXSID":"DTXSID5027356","Formula":"C11H24O6Si","All.Compound.Names":"Tris(2-methoxyethoxy)vinylsilane|Dtxsid5027356","logHenry":-6.595,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1626,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.743,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9032,"logWSol.Reference":"EPA-CCD-OPERA","MP":-32.62,"MP.Reference":"EPA-CCD-OPERA","MW":280.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1067-53-4"}
{"Compound":"2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one","CAS":"106797-53-9","CAS.Checksum":true,"DTXSID":"DTXSID6044777","Formula":"C12H16O4","All.Compound.Names":"2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one|Dtxsid6044777|106797-53-9","logHenry":-9.687,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.432,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.704,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8995,"logWSol.Reference":"EPA-CCD-OPERA","MP":88.96,"MP.Reference":"EPA-CCD-OPERA","MW":224.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106797-53-9"}
{"Compound":"Mivacurium chloride","CAS":"106861-44-3","CAS.Checksum":true,"DTXSID":"DTXSID5046649","Formula":"C58H80Cl2N2O14","All.Compound.Names":"Mivacurium chloride|Dtxsid5046649|106861-44-3","logHenry":-7.949,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.332,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.34,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.976,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.4,"MP.Reference":"EPA-CCD-OPERA","MW":1100,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106861-44-3"}
{"Compound":"Sar102608","CAS":"1068967-96-3","CAS.Checksum":true,"DTXSID":"DTXSID8047391","Formula":"C20H16FN5O","All.Compound.Names":"Sar102608|Dtxsid8047391|1068967-96-3","logHenry":-9.928,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.993,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.309,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.55,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.8,"MP.Reference":"EPA-CCD-OPERA","MW":361.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.93","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1068967-96-3"}
{"Compound":"Acrolein","CAS":"107-02-8","CAS.Checksum":true,"DTXSID":"DTXSID5020023","Formula":"C3H4O","All.Compound.Names":"Acrolein|Dtxsid5020023","logHenry":-3.918,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.00921,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.116,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5745,"logWSol.Reference":"EPA-CCD-OPERA","MP":-87.56,"MP.Reference":"EPA-CCD-OPERA","MW":56.06,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-02-8"}
{"Compound":"1-chloro-2-bromoethane","CAS":"107-04-0","CAS.Checksum":true,"DTXSID":"DTXSID4024775","Formula":"C2H4BrCl","All.Compound.Names":"1-chloro-2-bromoethane|Dtxsid4024775","logHenry":-3.041,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.074,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.016,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.323,"logWSol.Reference":"EPA-CCD-OPERA","MP":-16.76,"MP.Reference":"EPA-CCD-OPERA","MW":143.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-04-0"}
{"Compound":"Allyl chloride","CAS":"107-05-1","CAS.Checksum":true,"DTXSID":"DTXSID4039231","Formula":"C3H5Cl","All.Compound.Names":"Allyl chloride|Dtxsid4039231","logHenry":-1.795,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.794,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.4657,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.36,"logWSol.Reference":"EPA-CCD-OPERA","MP":-134.4,"MP.Reference":"EPA-CCD-OPERA","MW":76.52,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-05-1"}
{"Compound":"1,2-dichloroethane","CAS":"107-06-2","CAS.Checksum":true,"DTXSID":"DTXSID6020438","Formula":"C2H4Cl2","All.Compound.Names":"1,2-dichloroethane|Dtxsid6020438","logHenry":-2.926,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.476,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.316,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.063,"logWSol.Reference":"EPA-CCD-OPERA","MP":-35.99,"MP.Reference":"EPA-CCD-OPERA","MW":98.95,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"21.34","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.6167","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"115.7","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.3475","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"107-06-2"}
{"Compound":"2-chloroethanol","CAS":"107-07-3","CAS.Checksum":true,"DTXSID":"DTXSID1021877","Formula":"C2H5ClO","All.Compound.Names":"2-chloroethanol|Dtxsid1021877|107-07-3","logHenry":-5.228,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.02928,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.251,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.09,"logWSol.Reference":"EPA-CCD-OPERA","MP":-67.35,"MP.Reference":"EPA-CCD-OPERA","MW":80.51,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-07-3"}
{"Compound":"Propionitrile","CAS":"107-12-0","CAS.Checksum":true,"DTXSID":"DTXSID1021879","Formula":"C3H5N","All.Compound.Names":"Propionitrile|Dtxsid1021879","logHenry":-4.431,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1594,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.234,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2737,"logWSol.Reference":"EPA-CCD-OPERA","MP":-92.71,"MP.Reference":"EPA-CCD-OPERA","MW":55.08,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-12-0"}
{"Compound":"Acrylonitrile","CAS":"107-13-1","CAS.Checksum":true,"DTXSID":"DTXSID5020029","Formula":"C3H3N","All.Compound.Names":"Acrylonitrile|Dtxsid5020029","logHenry":-3.864,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2491,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.194,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1504,"logWSol.Reference":"EPA-CCD-OPERA","MP":-83.4,"MP.Reference":"EPA-CCD-OPERA","MW":53.06,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"32.11","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.8632","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"174.1","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.6677","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"107-13-1"}
{"Compound":"Chloroacetonitrile","CAS":"107-14-2","CAS.Checksum":true,"DTXSID":"DTXSID7021524","Formula":"C2H2ClN","All.Compound.Names":"Chloroacetonitrile|Dtxsid7021524","logHenry":-4.308,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4499,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1212,"logWSol.Reference":"EPA-CCD-OPERA","MP":-34.79,"MP.Reference":"EPA-CCD-OPERA","MW":75.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-14-2"}
{"Compound":"Ethylenediamine","CAS":"107-15-3","CAS.Checksum":true,"DTXSID":"DTXSID5021881","Formula":"C2H8N2","All.Compound.Names":"Ethylenediamine|Dtxsid5021881|107-15-3","logHenry":-8.759,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.038,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.74,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.221,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.13,"MP.Reference":"EPA-CCD-OPERA","MW":60.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-15-3"}
{"Compound":"Allyl alcohol","CAS":"107-18-6","CAS.Checksum":true,"DTXSID":"DTXSID8020044","Formula":"C3H6O","All.Compound.Names":"Allyl alcohol|Dtxsid8020044|107-18-6","logHenry":-5.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1693,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.589,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.234,"logWSol.Reference":"EPA-CCD-OPERA","MP":-128.8,"MP.Reference":"EPA-CCD-OPERA","MW":58.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-18-6"}
{"Compound":"Propargyl alcohol","CAS":"107-19-7","CAS.Checksum":true,"DTXSID":"DTXSID5021883","Formula":"C3H4O","All.Compound.Names":"Propargyl alcohol|Dtxsid5021883|107-19-7","logHenry":-5.25,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3794,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.25,"logWSol.Reference":"EPA-CCD-OPERA","MP":-51.7,"MP.Reference":"EPA-CCD-OPERA","MW":56.06,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-19-7"}
{"Compound":"Chloroacetaldehyde","CAS":"107-20-0","CAS.Checksum":true,"DTXSID":"DTXSID4020292","Formula":"C2H3ClO","All.Compound.Names":"Chloroacetaldehyde|2-chloroacetaldehyde|Dtxsid4020292","logHenry":-4.213,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5414,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.128,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.08249,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.58,"MP.Reference":"EPA-CCD-OPERA","MW":78.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-20-0"}
{"Compound":"Ethylene glycol","CAS":"107-21-1","CAS.Checksum":true,"DTXSID":"DTXSID8020597","Formula":"C2H6O2","All.Compound.Names":"Ethylene glycol|Dtxsid8020597|107-21-1","logHenry":-7.222,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.36,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.012,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.158,"logWSol.Reference":"EPA-CCD-OPERA","MP":-13.01,"MP.Reference":"EPA-CCD-OPERA","MW":62.07,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-21-1"}
{"Compound":"Glyoxal","CAS":"107-22-2","CAS.Checksum":true,"DTXSID":"DTXSID5025364","Formula":"C2H2O2","All.Compound.Names":"Glyoxal|Dtxsid5025364","logHenry":-8.47,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.07515,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.335,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.235,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.01,"MP.Reference":"EPA-CCD-OPERA","MW":58.04,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-22-2"}
{"Compound":"Chloromethyl methyl ether","CAS":"107-30-2","CAS.Checksum":true,"DTXSID":"DTXSID6020307","Formula":"C2H5ClO","All.Compound.Names":"Chloromethyl methyl ether|Dtxsid6020307","logHenry":-3.817,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2951,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.142,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1038,"logWSol.Reference":"EPA-CCD-OPERA","MP":-103.4,"MP.Reference":"EPA-CCD-OPERA","MW":80.51,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-30-2"}
{"Compound":"Methyl formate","CAS":"107-31-3","CAS.Checksum":true,"DTXSID":"DTXSID5025609","Formula":"C2H4O2","All.Compound.Names":"Methyl formate|Dtxsid5025609","logHenry":-3.655,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.02931,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.721,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.596,"logWSol.Reference":"EPA-CCD-OPERA","MP":-98.96,"MP.Reference":"EPA-CCD-OPERA","MW":60.05,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-31-3"}
{"Compound":"L-taurine","CAS":"107-35-7","CAS.Checksum":true,"DTXSID":"DTXSID3021304","Formula":"C2H7NO3S","All.Compound.Names":"L-taurine|Dtxsid3021304|107-35-7","logHenry":-7.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.912,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.292,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1901,"logWSol.Reference":"EPA-CCD-OPERA","MP":327.8,"MP.Reference":"EPA-CCD-OPERA","MW":125.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-35-7"}
{"Compound":"2,4,4-trimethyl-1-pentene","CAS":"107-39-1","CAS.Checksum":true,"DTXSID":"DTXSID4026765","Formula":"C8H16","All.Compound.Names":"2,4,4-trimethyl-1-pentene|Dtxsid4026765","logHenry":-0.6872,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.548,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8308,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.202,"logWSol.Reference":"EPA-CCD-OPERA","MP":-82.33,"MP.Reference":"EPA-CCD-OPERA","MW":112.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-39-1"}
{"Compound":"2,4,4-trimethyl-2-pentene","CAS":"107-40-4","CAS.Checksum":true,"DTXSID":"DTXSID9026766","Formula":"C8H16","All.Compound.Names":"2,4,4-trimethyl-2-pentene|Dtxsid9026766","logHenry":-0.6875,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.189,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5368,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.069,"logWSol.Reference":"EPA-CCD-OPERA","MP":-108.2,"MP.Reference":"EPA-CCD-OPERA","MW":112.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-40-4"}
{"Compound":"2-methyl-2,4-pentanediol","CAS":"107-41-5","CAS.Checksum":true,"DTXSID":"DTXSID5021885","Formula":"C6H14O2","All.Compound.Names":"2-methyl-2,4-pentanediol|Dtxsid5021885|107-41-5","logHenry":-6.979,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.007,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.163,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9223,"logWSol.Reference":"EPA-CCD-OPERA","MP":-49.44,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-41-5"}
{"Compound":"Betaine","CAS":"107-43-7","CAS.Checksum":true,"DTXSID":"DTXSID8022666","Formula":"C5H11NO2","All.Compound.Names":"Betaine|Dtxsid8022666","logHenry":-3.435,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1255,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.83,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6208,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.556,"MP.Reference":"EPA-CCD-OPERA","MW":117.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-43-7"}
{"Compound":"2,4,4-trimethyl-2-pentanamine","CAS":"107-45-9","CAS.Checksum":true,"DTXSID":"DTXSID0021886","Formula":"C8H19N","All.Compound.Names":"2,4,4-trimethyl-2-pentanamine|Tert-octylamine|Dtxsid0021886|107-45-9","logHenry":-4.442,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.283,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.616,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.131,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.9,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-45-9"}
{"Compound":"Hexamethyldisiloxane","CAS":"107-46-0","CAS.Checksum":true,"DTXSID":"DTXSID4026769","Formula":"C6H18OSi2","All.Compound.Names":"Hexamethyldisiloxane|Dtxsid4026769","logHenry":0.207,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.32,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.501,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.238,"logWSol.Reference":"EPA-CCD-OPERA","MP":-66.02,"MP.Reference":"EPA-CCD-OPERA","MW":162.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-46-0"}
{"Compound":"Tetraethyl pyrophosphate","CAS":"107-49-3","CAS.Checksum":true,"DTXSID":"DTXSID3034957","Formula":"C8H20O7P2","All.Compound.Names":"Tetraethyl pyrophosphate|Dtxsid3034957","logHenry":-6.453,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8358,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.028,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5359,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.33,"MP.Reference":"EPA-CCD-OPERA","MW":290.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-49-3"}
{"Compound":"Octamethyltrisiloxane","CAS":"107-51-7","CAS.Checksum":true,"DTXSID":"DTXSID9040710","Formula":"C8H24O2Si3","All.Compound.Names":"Octamethyltrisiloxane|Dtxsid9040710","logHenry":1.484,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.599,"logP.Reference":"EPA-CCD-OPERA","logPwa":-2.745,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.84,"logWSol.Reference":"EPA-CCD-OPERA","MP":-79.95,"MP.Reference":"EPA-CCD-OPERA","MW":236.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-51-7"}
{"Compound":"3,5-dimethyl-1-hexyn-3-ol","CAS":"107-54-0","CAS.Checksum":true,"DTXSID":"DTXSID6041472","Formula":"C8H14O","All.Compound.Names":"3,5-dimethyl-1-hexyn-3-ol|Dtxsid6041472|107-54-0","logHenry":-4.802,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.783,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.747,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9183,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.873,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-54-0"}
{"Compound":"Tert-butylacrylamide","CAS":"107-58-4","CAS.Checksum":true,"DTXSID":"DTXSID1040114","Formula":"C7H13NO","All.Compound.Names":"Tert-butylacrylamide|Dtxsid1040114|107-58-4","logHenry":-6.838,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.084,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.84,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6667,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.2,"MP.Reference":"EPA-CCD-OPERA","MW":127.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-58-4"}
{"Compound":"Phosphoric acid, dibutyl ester","CAS":"107-66-4","CAS.Checksum":true,"DTXSID":"DTXSID3040728","Formula":"C8H19O4P","All.Compound.Names":"Phosphoric acid, dibutyl ester|Dtxsid3040728|107-66-4","logHenry":-6.317,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.204,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.016,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.089,"logWSol.Reference":"EPA-CCD-OPERA","MP":-12.87,"MP.Reference":"EPA-CCD-OPERA","MW":210.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-66-4"}
{"Compound":"4-methoxy-4-methyl-2-pentanone","CAS":"107-70-0","CAS.Checksum":true,"DTXSID":"DTXSID2025557","Formula":"C7H14O2","All.Compound.Names":"4-methoxy-4-methyl-2-pentanone|Dtxsid2025557","logHenry":-3.433,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.498,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.504,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3294,"logWSol.Reference":"EPA-CCD-OPERA","MP":-68.12,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-70-0"}
{"Compound":"3,7-dimethyloctane-1,7-diol","CAS":"107-74-4","CAS.Checksum":true,"DTXSID":"DTXSID6044513","Formula":"C10H22O2","All.Compound.Names":"3,7-dimethyloctane-1,7-diol|Dtxsid6044513|107-74-4","logHenry":-5.631,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.914,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.931,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.394,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.98,"MP.Reference":"EPA-CCD-OPERA","MW":174.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-74-4"}
{"Compound":"7-hydroxy-3,7-dimethyloctanal","CAS":"107-75-5","CAS.Checksum":true,"DTXSID":"DTXSID6042232","Formula":"C10H20O2","All.Compound.Names":"7-hydroxy-3,7-dimethyloctanal|Hydroxycitronellal|Dtxsid6042232|107-75-5","logHenry":-5.595,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.061,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.433,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.004,"logWSol.Reference":"EPA-CCD-OPERA","MP":-35.3,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-75-5"}
{"Compound":"2-methylpentane","CAS":"107-83-5","CAS.Checksum":true,"DTXSID":"DTXSID4029143","Formula":"C6H14","All.Compound.Names":"2-methylpentane|Dtxsid4029143","logHenry":-0.3305,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.615,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8573,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.755,"logWSol.Reference":"EPA-CCD-OPERA","MP":-160.9,"MP.Reference":"EPA-CCD-OPERA","MW":86.18,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-83-5"}
{"Compound":"3-methylbut-2-enal","CAS":"107-86-8","CAS.Checksum":true,"DTXSID":"DTXSID8029606","Formula":"C5H8O","All.Compound.Names":"3-methylbut-2-enal|Dtxsid8029606","logHenry":-4.636,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8718,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.355,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1494,"logWSol.Reference":"EPA-CCD-OPERA","MP":-64.79,"MP.Reference":"EPA-CCD-OPERA","MW":84.12,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-86-8"}
{"Compound":"2-pentanone","CAS":"107-87-9","CAS.Checksum":true,"DTXSID":"DTXSID0021888","Formula":"C5H10O","All.Compound.Names":"2-pentanone|Dtxsid0021888","logHenry":-4.081,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9097,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.292,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2468,"logWSol.Reference":"EPA-CCD-OPERA","MP":-72.01,"MP.Reference":"EPA-CCD-OPERA","MW":86.13,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-87-9"}
{"Compound":"1,3-butanediol","CAS":"107-88-0","CAS.Checksum":true,"DTXSID":"DTXSID8026773","Formula":"C4H10O2","All.Compound.Names":"1,3-butanediol|Dtxsid8026773|107-88-0","logHenry":-7.125,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4967,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.381,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.047,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.654,"MP.Reference":"EPA-CCD-OPERA","MW":90.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-88-0"}
{"Compound":"Butanoic acid","CAS":"107-92-6","CAS.Checksum":true,"DTXSID":"DTXSID8021515","Formula":"C4H8O2","All.Compound.Names":"Butanoic acid|Dtxsid8021515|107-92-6","logHenry":-6.27,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7908,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.444,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1758,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.98,"MP.Reference":"EPA-CCD-OPERA","MW":88.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-92-6"}
{"Compound":"3-chloropropanoic acid","CAS":"107-94-8","CAS.Checksum":true,"DTXSID":"DTXSID5021546","Formula":"C3H5ClO2","All.Compound.Names":"3-chloropropanoic acid|Dtxsid5021546|107-94-8","logHenry":-6.558,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4102,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.868,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6341,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.1,"MP.Reference":"EPA-CCD-OPERA","MW":108.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-94-8"}
{"Compound":"3-mercaptopropanoic acid","CAS":"107-96-0","CAS.Checksum":true,"DTXSID":"DTXSID8026775","Formula":"C3H6O2S","All.Compound.Names":"3-mercaptopropanoic acid|Dtxsid8026775|107-96-0","logHenry":-7.867,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4292,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.786,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.0461,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.99,"MP.Reference":"EPA-CCD-OPERA","MW":106.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-96-0"}
{"Compound":"1-methoxy-2-propanol","CAS":"107-98-2","CAS.Checksum":true,"DTXSID":"DTXSID8024284","Formula":"C4H10O2","All.Compound.Names":"1-methoxy-2-propanol|Dtxsid8024284|107-98-2","logHenry":-6.039,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3158,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.397,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.045,"logWSol.Reference":"EPA-CCD-OPERA","MP":-94.54,"MP.Reference":"EPA-CCD-OPERA","MW":90.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-98-2"}
{"Compound":"Ethambutol dihydrochloride","CAS":"1070-11-7","CAS.Checksum":true,"DTXSID":"DTXSID4045345","Formula":"C10H26Cl2N2O2","All.Compound.Names":"Ethambutol dihydrochloride|Dtxsid4045345|1070-11-7","logHenry":-10.06,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4979,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.902,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7443,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.07,"MP.Reference":"EPA-CCD-OPERA","MW":277.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1070-11-7"}
{"Compound":"1,4-butanediol diacrylate","CAS":"1070-70-8","CAS.Checksum":true,"DTXSID":"DTXSID6044779","Formula":"C10H14O4","All.Compound.Names":"1,4-butanediol diacrylate|Dtxsid6044779","logHenry":-6.734,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.459,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.329,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7641,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.59,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1070-70-8"}
{"Compound":"Granisetron hydrochloride","CAS":"107007-99-8","CAS.Checksum":true,"DTXSID":"DTXSID7049057","Formula":"C18H25ClN4O","All.Compound.Names":"Granisetron hydrochloride|Dtxsid7049057|107007-99-8","logHenry":-9.812,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.91,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.75,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.382,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.6,"MP.Reference":"EPA-CCD-OPERA","MW":348.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107007-99-8"}
{"Compound":"Ro 23-7637","CAS":"107071-66-9","CAS.Checksum":true,"DTXSID":"DTXSID9048512","Formula":"C33H40N2O","All.Compound.Names":"Ro 23-7637|Dtxsid9048512|107071-66-9","logHenry":-7.396,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.788,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.888,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.623,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.6,"MP.Reference":"EPA-CCD-OPERA","MW":480.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107071-66-9"}
{"Compound":"Hexanedihydrazide","CAS":"1071-93-8","CAS.Checksum":true,"DTXSID":"DTXSID0044361","Formula":"C6H14N4O2","All.Compound.Names":"Hexanedihydrazide|Adipic acid dihydrazide|Dtxsid0044361|1071-93-8","logHenry":-8.699,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2851,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.197,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1824,"logWSol.Reference":"EPA-CCD-OPERA","MP":220,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.6018","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0.9601,0.8934,1","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"1071-93-8"}
{"Compound":"Perindopril erbumine","CAS":"107133-36-8","CAS.Checksum":true,"DTXSID":"DTXSID1044198","Formula":"C23H43N3O5","All.Compound.Names":"Perindopril erbumine|Dtxsid1044198|107133-36-8","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7091,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.648,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.377,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.7,"MP.Reference":"EPA-CCD-OPERA","MW":441.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.4","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107133-36-8"}
{"Compound":"Sulfuric acid, monononyl ester, sodium salt","CAS":"1072-15-7","CAS.Checksum":true,"DTXSID":"DTXSID7047487","Formula":"C9H19NaO4S","All.Compound.Names":"Sulfuric acid, monononyl ester, sodium salt|Sodium nonyl sulfate|Dtxsid7047487|1072-15-7","logHenry":-7.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3514,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.395,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.121,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.3,"MP.Reference":"EPA-CCD-OPERA","MW":246.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1072-15-7"}
{"Compound":"Ethylene glycol, cyclic sulfate","CAS":"1072-53-3","CAS.Checksum":true,"DTXSID":"DTXSID3020598","Formula":"C2H4O4S","All.Compound.Names":"Ethylene glycol, cyclic sulfate|Dtxsid3020598","logHenry":-7.026,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.654,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.247,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7245,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.63,"MP.Reference":"EPA-CCD-OPERA","MW":124.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1072-53-3"}
{"Compound":"2,5-dimercapto-1,3,4-thiadiazole","CAS":"1072-71-5","CAS.Checksum":true,"DTXSID":"DTXSID6040115","Formula":"C2H2N2S3","All.Compound.Names":"2,5-dimercapto-1,3,4-thiadiazole|Dtxsid6040115|1072-71-5","logHenry":-6.937,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.18,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.324,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.762,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.9,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.91","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1072-71-5"}
{"Compound":"2-acetylpyrrole","CAS":"1072-83-9","CAS.Checksum":true,"DTXSID":"DTXSID0047084","Formula":"C6H7NO","All.Compound.Names":"2-acetylpyrrole|Dtxsid0047084|1072-83-9","logHenry":-7.165,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9234,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.295,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01997,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.88,"MP.Reference":"EPA-CCD-OPERA","MW":109.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1072-83-9"}
{"Compound":"Phenylglyoxal","CAS":"1074-12-0","CAS.Checksum":true,"DTXSID":"DTXSID8025888","Formula":"C8H6O2","All.Compound.Names":"Phenylglyoxal|Dtxsid8025888","logHenry":-6.553,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.846,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.149,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.095,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.33,"MP.Reference":"EPA-CCD-OPERA","MW":134.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1074-12-0"}
{"Compound":"Potassium 1,3-dioxo-1,3-dihydroisoindol-2-ide","CAS":"1074-82-4","CAS.Checksum":true,"DTXSID":"DTXSID5027358","Formula":"C8H4KNO2","All.Compound.Names":"Potassium 1,3-dioxo-1,3-dihydroisoindol-2-ide|Dtxsid5027358|1074-82-4","logHenry":-7.858,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.16,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.38,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.706,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.1,"MP.Reference":"EPA-CCD-OPERA","MW":185.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1074-82-4"}
{"Compound":"3,3-tetramethyleneglutarimide","CAS":"1075-89-4","CAS.Checksum":true,"DTXSID":"DTXSID1057616","Formula":"C9H13NO2","All.Compound.Names":"3,3-tetramethyleneglutarimide|8-azaspiro[4.5]decane-7,9-dione|Dtxsid1057616|1075-89-4","logHenry":-7.243,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.022,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.075,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.385,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.2,"MP.Reference":"EPA-CCD-OPERA","MW":167.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1075-89-4"}
{"Compound":"Ssr 103800","CAS":"1075752-90-7","CAS.Checksum":true,"DTXSID":"DTXSID1047364","All.Compound.Names":"Ssr 103800","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1075752-90-7"}
{"Compound":"2-methoxy-4-methyl-1-(propan-2-yl)benzene","CAS":"1076-56-8","CAS.Checksum":true,"DTXSID":"DTXSID5047617","Formula":"C11H16O","All.Compound.Names":"2-methoxy-4-methyl-1-(propan-2-yl)benzene|2-isopropyl-5-methylanisole|Dtxsid5047617","logHenry":-4.385,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.44,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7879,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.836,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.29,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1076-56-8"}
{"Compound":"1,4-cyclohexanedicarboxylic acid","CAS":"1076-97-7","CAS.Checksum":true,"DTXSID":"DTXSID2038788","Formula":"C8H12O4","All.Compound.Names":"1,4-cyclohexanedicarboxylic acid|Dtxsid2038788|1076-97-7","logHenry":-8.574,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8199,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.023,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8928,"logWSol.Reference":"EPA-CCD-OPERA","MP":312.1,"MP.Reference":"EPA-CCD-OPERA","MW":172.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1076-97-7"}
{"Compound":"Polaprezinc","CAS":"107667-60-7","CAS.Checksum":true,"DTXSID":"DTXSID7048615","Formula":"C9H12N4O3Zn","All.Compound.Names":"Polaprezinc","MW":289.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107667-60-7"}
{"Compound":"Alpha-lipoic acid","CAS":"1077-28-7","CAS.Checksum":true,"DTXSID":"DTXSID7025508","Formula":"C8H14O2S2","All.Compound.Names":"Alpha-lipoic acid|(+-)-lipoic acid|1077-28-7|Dtxsid7025508","logHenry":-7.542,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.249,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.885,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.399,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.56,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.29,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"1077-28-7"}
{"Compound":"Eplerenone","CAS":"107724-20-9","CAS.Checksum":true,"DTXSID":"DTXSID2046094","Formula":"C24H30O6","All.Compound.Names":"Eplerenone|107724-20-9|Dtxsid2046094","logHenry":-8.051,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.323,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.368,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.683,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.6,"MP.Reference":"EPA-CCD-OPERA","MW":414.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.69,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"107724-20-9"}
{"Compound":"Zafirlukast","CAS":"107753-78-6","CAS.Checksum":true,"DTXSID":"DTXSID5023746","Formula":"C31H33N3O6S","All.Compound.Names":"Zafirlukast|Dtxsid5023746|107753-78-6","logHenry":-7.915,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.963,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.765,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.571,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.1,"MP.Reference":"EPA-CCD-OPERA","MW":575.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107753-78-6"}
{"Compound":"Ioxilan","CAS":"107793-72-6","CAS.Checksum":true,"DTXSID":"DTXSID0048717","Formula":"C18H24I3N3O8","All.Compound.Names":"Ioxilan|Dtxsid0048717|107793-72-6","logHenry":-10.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.515,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.08,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.477,"logWSol.Reference":"EPA-CCD-OPERA","MP":188,"MP.Reference":"EPA-CCD-OPERA","MW":791.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107793-72-6"}
{"Compound":"6-?methoxy-?1-?tetralone","CAS":"1078-19-9","CAS.Checksum":true,"DTXSID":"DTXSID6057617","Formula":"C11H12O2","All.Compound.Names":"6-?methoxy-?1-?tetralone|6-methoxy-alpha-tetralone|Dtxsid6057617","logHenry":-6.267,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.622,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.028,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.185,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.81,"MP.Reference":"EPA-CCD-OPERA","MW":176.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1078-19-9"}
{"Compound":"Exemestane","CAS":"107868-30-4","CAS.Checksum":true,"DTXSID":"DTXSID5023037","Formula":"C20H24O2","All.Compound.Names":"Exemestane|107868-30-4|Dtxsid5023037","logHenry":-4.213,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.132,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.142,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.7,"MP.Reference":"EPA-CCD-OPERA","MW":296.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.42,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"107868-30-4"}
{"Compound":"Dimethylaminoethanol","CAS":"108-01-0","CAS.Checksum":true,"DTXSID":"DTXSID2020505","Formula":"C4H11NO","All.Compound.Names":"Dimethylaminoethanol|Dtxsid2020505|108-01-0","logHenry":-6.312,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1366,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.05,"logWSol.Reference":"EPA-CCD-OPERA","MP":-58.77,"MP.Reference":"EPA-CCD-OPERA","MW":89.14,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-01-0"}
{"Compound":"1-nitropropane","CAS":"108-03-2","CAS.Checksum":true,"DTXSID":"DTXSID1020980","Formula":"C3H7NO2","All.Compound.Names":"1-nitropropane|Dtxsid1020980","logHenry":-4.063,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8313,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.215,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7597,"logWSol.Reference":"EPA-CCD-OPERA","MP":-105.7,"MP.Reference":"EPA-CCD-OPERA","MW":89.09,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-03-2"}
{"Compound":"Vinyl acetate","CAS":"108-05-4","CAS.Checksum":true,"DTXSID":"DTXSID3021431","Formula":"C4H6O2","All.Compound.Names":"Vinyl acetate|Dtxsid3021431","logHenry":-3.781,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7307,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.015,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6293,"logWSol.Reference":"EPA-CCD-OPERA","MP":-92.21,"MP.Reference":"EPA-CCD-OPERA","MW":86.09,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-05-4"}
{"Compound":"1,3-dimethylbutylamine","CAS":"108-09-8","CAS.Checksum":true,"DTXSID":"DTXSID4025113","Formula":"C6H15N","All.Compound.Names":"1,3-dimethylbutylamine|Dtxsid4025113|108-09-8","logHenry":-4.508,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.506,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.746,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1423,"logWSol.Reference":"EPA-CCD-OPERA","MP":-64.06,"MP.Reference":"EPA-CCD-OPERA","MW":101.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-09-8"}
{"Compound":"4-methyl-2-pentanone","CAS":"108-10-1","CAS.Checksum":true,"DTXSID":"DTXSID5021889","Formula":"C6H12O","All.Compound.Names":"4-methyl-2-pentanone|Dtxsid5021889","logHenry":-4.246,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.311,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.272,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8622,"logWSol.Reference":"EPA-CCD-OPERA","MP":-83.11,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-10-1"}
{"Compound":"4-methyl-2-pentanol","CAS":"108-11-2","CAS.Checksum":true,"DTXSID":"DTXSID2026781","Formula":"C6H14O","All.Compound.Names":"4-methyl-2-pentanol|Dtxsid2026781|108-11-2","logHenry":-4.357,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.685,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.482,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.798,"logWSol.Reference":"EPA-CCD-OPERA","MP":-89.55,"MP.Reference":"EPA-CCD-OPERA","MW":102.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-11-2"}
{"Compound":"Dimepranol","CAS":"108-16-7","CAS.Checksum":true,"DTXSID":"DTXSID5031210","Formula":"C5H13NO","All.Compound.Names":"Dimepranol|Dtxsid5031210|108-16-7","logHenry":-6.147,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1997,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.995,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9373,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.4,"MP.Reference":"EPA-CCD-OPERA","MW":103.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.76","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-16-7"}
{"Compound":"Diisopropylamine","CAS":"108-18-9","CAS.Checksum":true,"DTXSID":"DTXSID9025085","Formula":"C6H15N","All.Compound.Names":"Diisopropylamine|Dtxsid9025085|108-18-9","logHenry":-4.702,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.401,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.844,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.03652,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.06,"MP.Reference":"EPA-CCD-OPERA","MW":101.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-18-9"}
{"Compound":"Imidodicarbonic diamide","CAS":"108-19-0","CAS.Checksum":true,"DTXSID":"DTXSID2026783","Formula":"C2H5N3O2","All.Compound.Names":"Imidodicarbonic diamide|Dtxsid2026783|108-19-0","logHenry":-8.585,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.044,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.169,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.156,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.8,"MP.Reference":"EPA-CCD-OPERA","MW":103.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-19-0"}
{"Compound":"Isopropyl ether","CAS":"108-20-3","CAS.Checksum":true,"DTXSID":"DTXSID4021890","Formula":"C6H14O","All.Compound.Names":"Isopropyl ether|Dtxsid4021890","logHenry":-2.599,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.521,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.173,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.105,"logWSol.Reference":"EPA-CCD-OPERA","MP":-87.4,"MP.Reference":"EPA-CCD-OPERA","MW":102.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-20-3"}
{"Compound":"Isopropyl acetate","CAS":"108-21-4","CAS.Checksum":true,"DTXSID":"DTXSID2025478","Formula":"C5H10O2","All.Compound.Names":"Isopropyl acetate|Dtxsid2025478","logHenry":-3.559,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.221,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.664,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5614,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.47,"MP.Reference":"EPA-CCD-OPERA","MW":102.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-21-4"}
{"Compound":"Isopropenyl acetate","CAS":"108-22-5","CAS.Checksum":true,"DTXSID":"DTXSID3031492","Formula":"C5H8O2","All.Compound.Names":"Isopropenyl acetate|Dtxsid3031492","logHenry":-4.041,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4331,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.709,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.769,"logWSol.Reference":"EPA-CCD-OPERA","MP":-90.15,"MP.Reference":"EPA-CCD-OPERA","MW":100.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-22-5"}
{"Compound":"Acetic anhydride","CAS":"108-24-7","CAS.Checksum":true,"DTXSID":"DTXSID0024395","Formula":"C4H6O3","All.Compound.Names":"Acetic anhydride|Dtxsid0024395","logHenry":-5.927,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2285,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.519,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.07063,"logWSol.Reference":"EPA-CCD-OPERA","MP":-72.82,"MP.Reference":"EPA-CCD-OPERA","MW":102.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-24-7"}
{"Compound":"4-pentanolide","CAS":"108-29-2","CAS.Checksum":true,"DTXSID":"DTXSID0047618","Formula":"C5H8O2","All.Compound.Names":"4-pentanolide|Dtxsid0047618","logHenry":-7.544,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.00162,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.746,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1264,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.49,"MP.Reference":"EPA-CCD-OPERA","MW":100.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-29-2"}
{"Compound":"Succinic anhydride","CAS":"108-30-5","CAS.Checksum":true,"DTXSID":"DTXSID7021287","Formula":"C4H4O3","All.Compound.Names":"Succinic anhydride|Dtxsid7021287","logHenry":-7.807,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.043,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.481,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1624,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.5,"MP.Reference":"EPA-CCD-OPERA","MW":100.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-30-5"}
{"Compound":"2,5-furandione","CAS":"108-31-6","CAS.Checksum":true,"DTXSID":"DTXSID7024166","Formula":"C4H2O3","All.Compound.Names":"2,5-furandione|Dtxsid7024166","logHenry":-7.907,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4248,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.902,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1079,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.92,"MP.Reference":"EPA-CCD-OPERA","MW":98.06,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-31-6"}
{"Compound":"Propylene carbonate","CAS":"108-32-7","CAS.Checksum":true,"DTXSID":"DTXSID2026789","Formula":"C4H6O3","All.Compound.Names":"Propylene carbonate|Dtxsid2026789","logHenry":-7.823,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4096,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.248,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2343,"logWSol.Reference":"EPA-CCD-OPERA","MP":-48.6,"MP.Reference":"EPA-CCD-OPERA","MW":102.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-32-7"}
{"Compound":"1,3-dimethylbenzene","CAS":"108-38-3","CAS.Checksum":true,"DTXSID":"DTXSID6026298","Formula":"C8H10","All.Compound.Names":"1,3-dimethylbenzene|M-xylene|Dtxsid6026298","logHenry":-2.147,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.199,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6424,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.818,"logWSol.Reference":"EPA-CCD-OPERA","MP":-20.39,"MP.Reference":"EPA-CCD-OPERA","MW":106.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-38-3"}
{"Compound":"3-chloroaniline","CAS":"108-42-9","CAS.Checksum":true,"DTXSID":"DTXSID0024761","Formula":"C6H6ClN","All.Compound.Names":"3-chloroaniline|Dtxsid0024761|108-42-9","logHenry":-6.002,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.88,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.331,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.378,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.582,"MP.Reference":"EPA-CCD-OPERA","MW":127.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-42-9"}
{"Compound":"3-chlorophenol","CAS":"108-43-0","CAS.Checksum":true,"DTXSID":"DTXSID4024800","Formula":"C6H5ClO","All.Compound.Names":"3-chlorophenol|Dtxsid4024800|108-43-0","logHenry":-6.458,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.499,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.452,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7002,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.69,"MP.Reference":"EPA-CCD-OPERA","MW":128.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-43-0"}
{"Compound":"2,6-dimethylpyridine","CAS":"108-48-5","CAS.Checksum":true,"DTXSID":"DTXSID7051557","Formula":"C7H9N","All.Compound.Names":"2,6-dimethylpyridine|Dtxsid7051557|108-48-5","logHenry":-5.008,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.68,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.048,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4462,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.72,"MP.Reference":"EPA-CCD-OPERA","MW":107.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-48-5"}
{"Compound":"Glutaric anhydride","CAS":"108-55-4","CAS.Checksum":true,"DTXSID":"DTXSID5044362","Formula":"C5H6O3","All.Compound.Names":"Glutaric anhydride|Dtxsid5044362","logHenry":-7.802,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2506,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.094,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.04929,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.37,"MP.Reference":"EPA-CCD-OPERA","MW":114.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-55-4"}
{"Compound":"Dimethyl malonate","CAS":"108-59-8","CAS.Checksum":true,"DTXSID":"DTXSID4029145","Formula":"C5H8O4","All.Compound.Names":"Dimethyl malonate|Dtxsid4029145","logHenry":-5.369,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.04964,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.966,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.44,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.36,"MP.Reference":"EPA-CCD-OPERA","MW":132.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-59-8"}
{"Compound":"Bis(2-chloro-1-methylethyl) ether","CAS":"108-60-1","CAS.Checksum":true,"DTXSID":"DTXSID4020167","Formula":"C6H12Cl2O","All.Compound.Names":"Bis(2-chloro-1-methylethyl) ether|Dtxsid4020167","logHenry":-4.197,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.482,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.051,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.001,"logWSol.Reference":"EPA-CCD-OPERA","MP":-96.82,"MP.Reference":"EPA-CCD-OPERA","MW":171.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-60-1"}
{"Compound":"Ethyl isovalerate","CAS":"108-64-5","CAS.Checksum":true,"DTXSID":"DTXSID3047057","Formula":"C7H14O2","All.Compound.Names":"Ethyl isovalerate|Dtxsid3047057","logHenry":-3.388,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.201,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.687,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.737,"logWSol.Reference":"EPA-CCD-OPERA","MP":-95.74,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-64-5"}
{"Compound":"1-methoxy-2-propyl acetate","CAS":"108-65-6","CAS.Checksum":true,"DTXSID":"DTXSID1026796","Formula":"C6H12O3","All.Compound.Names":"1-methoxy-2-propyl acetate|Dtxsid1026796","logHenry":-4.771,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5603,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.455,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1728,"logWSol.Reference":"EPA-CCD-OPERA","MP":-59.1,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-65-6"}
{"Compound":"1,3,5-trimethylbenzene","CAS":"108-67-8","CAS.Checksum":true,"DTXSID":"DTXSID6026797","Formula":"C9H12","All.Compound.Names":"1,3,5-trimethylbenzene|Dtxsid6026797","logHenry":-2.062,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.502,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.033,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.388,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.35,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-67-8"}
{"Compound":"3,5-dimethylphenol","CAS":"108-68-9","CAS.Checksum":true,"DTXSID":"DTXSID1025148","Formula":"C8H10O","All.Compound.Names":"3,5-dimethylphenol|Dtxsid1025148|108-68-9","logHenry":-6.208,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.348,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.719,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.401,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.48,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-68-9"}
{"Compound":"3,5-dimethylaniline","CAS":"108-69-0","CAS.Checksum":true,"DTXSID":"DTXSID8026309","Formula":"C8H11N","All.Compound.Names":"3,5-dimethylaniline|Dtxsid8026309|108-69-0","logHenry":-5.712,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.809,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.666,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.579,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.296,"MP.Reference":"EPA-CCD-OPERA","MW":121.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-69-0"}
{"Compound":"1,3,5-trichlorobenzene","CAS":"108-70-3","CAS.Checksum":true,"DTXSID":"DTXSID8026195","Formula":"C6H3Cl3","All.Compound.Names":"1,3,5-trichlorobenzene|Dtxsid8026195","logHenry":-2.723,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.188,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6917,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.377,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.16,"MP.Reference":"EPA-CCD-OPERA","MW":181.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-70-3"}
{"Compound":"Hexahydro-1,3,5-trimethyl-1,3,5-triazine","CAS":"108-74-7","CAS.Checksum":true,"DTXSID":"DTXSID6051560","Formula":"C6H15N3","All.Compound.Names":"Hexahydro-1,3,5-trimethyl-1,3,5-triazine|1,3,5-trimethyl-1,3,5-triazacyclohexane|Dtxsid6051560|108-74-7","logHenry":-5.922,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.202,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.555,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4722,"logWSol.Reference":"EPA-CCD-OPERA","MP":-26.86,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-74-7"}
{"Compound":"2,4,6-trichloro-s-triazine","CAS":"108-77-0","CAS.Checksum":true,"DTXSID":"DTXSID6026799","Formula":"C3Cl3N3","All.Compound.Names":"2,4,6-trichloro-s-triazine|Dtxsid6026799|108-77-0","logHenry":-6.072,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.481,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.338,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.204,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.9,"MP.Reference":"EPA-CCD-OPERA","MW":184.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-77-0"}
{"Compound":"Melamine","CAS":"108-78-1","CAS.Checksum":true,"DTXSID":"DTXSID6020802","Formula":"C3H6N6","All.Compound.Names":"Melamine|Dtxsid6020802|108-78-1","logHenry":-8.013,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.369,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.69,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.55,"logWSol.Reference":"EPA-CCD-OPERA","MP":260.7,"MP.Reference":"EPA-CCD-OPERA","MW":126.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-78-1"}
{"Compound":"Cyanuric acid","CAS":"108-80-5","CAS.Checksum":true,"DTXSID":"DTXSID7024873","Formula":"C3H3N3O3","All.Compound.Names":"Cyanuric acid|Dtxsid7024873|108-80-5","logHenry":-8.019,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9572,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.848,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.808,"logWSol.Reference":"EPA-CCD-OPERA","MP":359.9,"MP.Reference":"EPA-CCD-OPERA","MW":129.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-80-5"}
{"Compound":"2,6-dimethyl-4-heptanol","CAS":"108-82-7","CAS.Checksum":true,"DTXSID":"DTXSID8026802","Formula":"C9H20O","All.Compound.Names":"2,6-dimethyl-4-heptanol|Dtxsid8026802|108-82-7","logHenry":-4.41,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.263,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.555,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.424,"logWSol.Reference":"EPA-CCD-OPERA","MP":-34.09,"MP.Reference":"EPA-CCD-OPERA","MW":144.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-82-7"}
{"Compound":"Diisobutyl ketone","CAS":"108-83-8","CAS.Checksum":true,"DTXSID":"DTXSID4025080","Formula":"C9H18O","All.Compound.Names":"Diisobutyl ketone|Dtxsid4025080","logHenry":-3.722,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.27,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.265,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.739,"logWSol.Reference":"EPA-CCD-OPERA","MP":-40.87,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-83-8"}
{"Compound":"Bromobenzene","CAS":"108-86-1","CAS.Checksum":true,"DTXSID":"DTXSID5024637","Formula":"C6H5Br","All.Compound.Names":"Bromobenzene|Dtxsid5024637","logHenry":-2.608,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.99,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9748,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.548,"logWSol.Reference":"EPA-CCD-OPERA","MP":-30.19,"MP.Reference":"EPA-CCD-OPERA","MW":157,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-86-1"}
{"Compound":"Methylcyclohexane","CAS":"108-87-2","CAS.Checksum":true,"DTXSID":"DTXSID0047749","Formula":"C7H14","All.Compound.Names":"Methylcyclohexane|Dtxsid0047749","logHenry":-0.369,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.611,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3634,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.83,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.5,"MP.Reference":"EPA-CCD-OPERA","MW":98.19,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-87-2"}
{"Compound":"4-methylpyridine","CAS":"108-89-4","CAS.Checksum":true,"DTXSID":"DTXSID4021892","Formula":"C6H7N","All.Compound.Names":"4-methylpyridine|Dtxsid4021892|108-89-4","logHenry":-5.198,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.22,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.939,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.026,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.52,"MP.Reference":"EPA-CCD-OPERA","MW":93.13,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-89-4"}
{"Compound":"Chlorobenzene","CAS":"108-90-7","CAS.Checksum":true,"DTXSID":"DTXSID4020298","Formula":"C6H5Cl","All.Compound.Names":"Chlorobenzene|Dtxsid4020298","logHenry":-2.508,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.865,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5215,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.367,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.76,"MP.Reference":"EPA-CCD-OPERA","MW":112.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"879.1","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.202","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"879.1","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.2657","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"108-90-7"}
{"Compound":"Cyclohexylamine","CAS":"108-91-8","CAS.Checksum":true,"DTXSID":"DTXSID1023996","Formula":"C6H13N","All.Compound.Names":"Cyclohexylamine|Dtxsid1023996|108-91-8","logHenry":-5.376,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.486,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.262,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.001,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.58,"MP.Reference":"EPA-CCD-OPERA","MW":99.18,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-91-8"}
{"Compound":"Cyclohexanol","CAS":"108-93-0","CAS.Checksum":true,"DTXSID":"DTXSID4021894","Formula":"C6H12O","All.Compound.Names":"Cyclohexanol|Dtxsid4021894|108-93-0","logHenry":-5.355,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.231,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.937,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4411,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.16,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-93-0"}
{"Compound":"Cyclohexanone","CAS":"108-94-1","CAS.Checksum":true,"DTXSID":"DTXSID6020359","Formula":"C6H10O","All.Compound.Names":"Cyclohexanone|Dtxsid6020359","logHenry":-5.043,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8106,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.677,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6065,"logWSol.Reference":"EPA-CCD-OPERA","MP":-30.66,"MP.Reference":"EPA-CCD-OPERA","MW":98.14,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-94-1"}
{"Compound":"Benzenethiol","CAS":"108-98-5","CAS.Checksum":true,"DTXSID":"DTXSID7026811","Formula":"C6H6S","All.Compound.Names":"Benzenethiol|Dtxsid7026811|108-98-5","logHenry":-3.56,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.52,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9659,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.124,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.75,"MP.Reference":"EPA-CCD-OPERA","MW":110.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-98-5"}
{"Compound":"3-methylpyridine","CAS":"108-99-6","CAS.Checksum":true,"DTXSID":"DTXSID9021897","Formula":"C6H7N","All.Compound.Names":"3-methylpyridine|Dtxsid9021897|108-99-6","logHenry":-5.112,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.959,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.026,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.68,"MP.Reference":"EPA-CCD-OPERA","MW":93.13,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-99-6"}
{"Compound":"Bergenin monohydrate","CAS":"108032-11-7","CAS.Checksum":true,"DTXSID":"DTXSID9045550","Formula":"C14H18O10","All.Compound.Names":"Bergenin monohydrate|Dtxsid9045550|108032-11-7","logHenry":-10.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.204,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.68,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.496,"logWSol.Reference":"EPA-CCD-OPERA","MP":272.8,"MP.Reference":"EPA-CCD-OPERA","MW":346.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108032-11-7"}
{"Compound":"Tilmicosin","CAS":"108050-54-0","CAS.Checksum":true,"DTXSID":"DTXSID5046011","Formula":"C46H80N2O13","All.Compound.Names":"Tilmicosin|Dtxsid5046011|108050-54-0","logHenry":-8.017,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.799,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.764,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1905,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.7,"MP.Reference":"EPA-CCD-OPERA","MW":869.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108050-54-0"}
{"Compound":"Alpha-terthiophene","CAS":"1081-34-1","CAS.Checksum":true,"DTXSID":"DTXSID2041206","Formula":"C12H8S3","All.Compound.Names":"Alpha-terthiophene|Dtxsid2041206","logHenry":-4.043,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.571,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.403,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.451,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.41,"MP.Reference":"EPA-CCD-OPERA","MW":248.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1081-34-1"}
{"Compound":"Isoniazid pyruvate","CAS":"1081-50-1","CAS.Checksum":true,"DTXSID":"DTXSID1057618","Formula":"C9H9N3O3","All.Compound.Names":"Isoniazid pyruvate|Dtxsid1057618|1081-50-1","logHenry":-7.936,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8948,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.735,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.696,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.4,"MP.Reference":"EPA-CCD-OPERA","MW":207.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1081-50-1"}
{"Compound":"1-butyl-2,3-dimethylimidazolium iodide","CAS":"108203-70-9","CAS.Checksum":true,"DTXSID":"DTXSID5047908","Formula":"C9H17IN2","All.Compound.Names":"1-butyl-2,3-dimethylimidazolium iodide|Dtxsid5047908|108203-70-9","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.236,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.02,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.848,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.5,"MP.Reference":"EPA-CCD-OPERA","MW":280.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108203-70-9"}
{"Compound":"Hexylparaben","CAS":"1083-27-8","CAS.Checksum":true,"DTXSID":"DTXSID1044514","Formula":"C13H18O3","All.Compound.Names":"Hexylparaben|Dtxsid1044514|1083-27-8","logHenry":-9.263,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.349,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.948,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.26,"MP.Reference":"EPA-CCD-OPERA","MW":222.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1083-27-8"}
{"Compound":"3-hydroxy-4-butyrophenetidide","CAS":"1083-57-4","CAS.Checksum":true,"DTXSID":"DTXSID6020721","Formula":"C12H17NO3","All.Compound.Names":"3-hydroxy-4-butyrophenetidide|Dtxsid6020721|1083-57-4","logHenry":-9.749,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.849,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.552,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.882,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.8,"MP.Reference":"EPA-CCD-OPERA","MW":223.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1083-57-4"}
{"Compound":"Temafloxacin","CAS":"108319-06-8","CAS.Checksum":true,"DTXSID":"DTXSID7044132","Formula":"C21H18F3N3O3","All.Compound.Names":"Temafloxacin|108319-06-8|Dtxsid7044132","logHenry":-10.36,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1955,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.693,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.744,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.8,"MP.Reference":"EPA-CCD-OPERA","MW":417.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.95,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"108319-06-8"}
{"Compound":"Norepinephrine bitartrate","CAS":"108341-18-0","CAS.Checksum":true,"DTXSID":"DTXSID2047806","Formula":"C12H19NO10","All.Compound.Names":"Norepinephrine bitartrate|Norepinephrine bitartrate monohydrate|Dtxsid2047806|108341-18-0","logHenry":-10.43,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.217,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.964,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9015,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.9,"MP.Reference":"EPA-CCD-OPERA","MW":337.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108341-18-0"}
{"Compound":"Meticrane","CAS":"1084-65-7","CAS.Checksum":true,"DTXSID":"DTXSID9045346","Formula":"C10H13NO4S2","All.Compound.Names":"Meticrane|Dtxsid9045346|1084-65-7","logHenry":-8.173,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3987,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.346,"logWSol.Reference":"EPA-CCD-OPERA","MP":236.4,"MP.Reference":"EPA-CCD-OPERA","MW":275.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1084-65-7"}
{"Compound":"Acetic acid, c8-10-branched alkyl esters, c9-rich","CAS":"108419-33-6","CAS.Checksum":true,"DTXSID":"DTXSID0029848","All.Compound.Names":"Acetic acid, c8-10-branched alkyl esters, c9-rich","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108419-33-6"}
{"Compound":"Dichlofluanid","CAS":"1085-98-9","CAS.Checksum":true,"DTXSID":"DTXSID5041851","Formula":"C9H11Cl2FN2O2S2","All.Compound.Names":"Dichlofluanid|Dtxsid5041851|1085-98-9","logHenry":-6.772,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.699,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.746,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.407,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.9,"MP.Reference":"EPA-CCD-OPERA","MW":333.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1085-98-9"}
{"Compound":"Mizolastine","CAS":"108612-45-9","CAS.Checksum":true,"DTXSID":"DTXSID5046801","Formula":"C24H25FN6O","All.Compound.Names":"Mizolastine|108612-45-9|Dtxsid5046801","logHenry":-9.907,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.333,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.88,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.947,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.7,"MP.Reference":"EPA-CCD-OPERA","MW":432.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.65,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.023","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"108612-45-9"}
{"Compound":"Nemorubicin","CAS":"108852-90-0","CAS.Checksum":true,"DTXSID":"DTXSID6057619","Formula":"C32H37NO13","All.Compound.Names":"Nemorubicin|Dtxsid6057619|108852-90-0","logHenry":-12.01,"logHenry.Reference":"OPERA29","logP":1.67,"logP.Reference":"OPERA29","logWSol":-2.67,"logWSol.Reference":"OPERA29","MP":193,"MP.Reference":"OPERA29","MW":643.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108852-90-0"}
{"Compound":"Epinastine hydrochloride","CAS":"108929-04-0","CAS.Checksum":true,"DTXSID":"DTXSID1046502","Formula":"C16H16ClN3","All.Compound.Names":"Epinastine hydrochloride|Dtxsid1046502|108929-04-0","logHenry":-9.61,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.09642,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.72,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.939,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.3,"MP.Reference":"EPA-CCD-OPERA","MW":285.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108929-04-0"}
{"Compound":"4-methylmorpholine","CAS":"109-02-4","CAS.Checksum":true,"DTXSID":"DTXSID9029146","Formula":"C5H11NO","All.Compound.Names":"4-methylmorpholine|Dtxsid9029146|109-02-4","logHenry":-4.713,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3294,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.072,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9983,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.36,"MP.Reference":"EPA-CCD-OPERA","MW":101.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-02-4"}
{"Compound":"2-bromopyridine","CAS":"109-04-6","CAS.Checksum":true,"DTXSID":"DTXSID6051564","Formula":"C5H4BrN","All.Compound.Names":"2-bromopyridine|Dtxsid6051564|109-04-6","logHenry":-4.417,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.421,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.082,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.88,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.595,"MP.Reference":"EPA-CCD-OPERA","MW":158,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-04-6"}
{"Compound":"2-methylpyridine","CAS":"109-06-8","CAS.Checksum":true,"DTXSID":"DTXSID9021899","Formula":"C6H7N","All.Compound.Names":"2-methylpyridine|Dtxsid9021899|109-06-8","logHenry":-5.024,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.111,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.048,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.025,"logWSol.Reference":"EPA-CCD-OPERA","MP":-54.94,"MP.Reference":"EPA-CCD-OPERA","MW":93.13,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-06-8"}
{"Compound":"2-methylpyrazine","CAS":"109-08-0","CAS.Checksum":true,"DTXSID":"DTXSID4047620","Formula":"C5H6N2","All.Compound.Names":"2-methylpyrazine|Dtxsid4047620|109-08-0","logHenry":-5.656,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2113,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.955,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.022,"logWSol.Reference":"EPA-CCD-OPERA","MP":-28.31,"MP.Reference":"EPA-CCD-OPERA","MW":94.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-08-0"}
{"Compound":"2-chloropyridine","CAS":"109-09-1","CAS.Checksum":true,"DTXSID":"DTXSID8024810","Formula":"C5H4ClN","All.Compound.Names":"2-chloropyridine|Dtxsid8024810|109-09-1","logHenry":-4.403,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.22,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.733,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7464,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.75,"MP.Reference":"EPA-CCD-OPERA","MW":113.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-09-1"}
{"Compound":"Triethylene glycol dimethacrylate","CAS":"109-16-0","CAS.Checksum":true,"DTXSID":"DTXSID3029607","Formula":"C14H22O6","All.Compound.Names":"Triethylene glycol dimethacrylate|Dtxsid3029607","logHenry":-7.854,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.879,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.541,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.806,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.92,"MP.Reference":"EPA-CCD-OPERA","MW":286.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-16-0"}
{"Compound":"Tetraethyleneglycol dimethacrylate","CAS":"109-17-1","CAS.Checksum":true,"DTXSID":"DTXSID6044515","Formula":"C16H26O7","All.Compound.Names":"Tetraethyleneglycol dimethacrylate|Dtxsid6044515","logHenry":-7.496,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.447,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.374,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.091,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.84,"MP.Reference":"EPA-CCD-OPERA","MW":330.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-17-1"}
{"Compound":"Oxacycloheptadecan-2-one","CAS":"109-29-5","CAS.Checksum":true,"DTXSID":"DTXSID4047622","Formula":"C16H30O2","All.Compound.Names":"Oxacycloheptadecan-2-one|Dtxsid4047622","logHenry":-7.731,"logHenry.Reference":"EPA-CCD-OPERA","logP":6,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.763,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.482,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.94,"MP.Reference":"EPA-CCD-OPERA","MW":254.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-29-5"}
{"Compound":"Dihexyl nonanedioate","CAS":"109-31-9","CAS.Checksum":true,"DTXSID":"DTXSID9047623","Formula":"C21H40O4","All.Compound.Names":"Dihexyl nonanedioate|Dtxsid9047623","logHenry":-6.502,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.61,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.298,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.099,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.613,"MP.Reference":"EPA-CCD-OPERA","MW":356.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-31-9"}
{"Compound":"Butyl undec-10-enoate","CAS":"109-42-2","CAS.Checksum":true,"DTXSID":"DTXSID4047624","Formula":"C15H28O2","All.Compound.Names":"Butyl undec-10-enoate|Dtxsid4047624","logHenry":-5.24,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.77,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.742,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.414,"logWSol.Reference":"EPA-CCD-OPERA","MP":-24.42,"MP.Reference":"EPA-CCD-OPERA","MW":240.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-42-2"}
{"Compound":"N,n'-dibutylthiourea","CAS":"109-46-6","CAS.Checksum":true,"DTXSID":"DTXSID8042187","Formula":"C9H20N2S","All.Compound.Names":"N,n'-dibutylthiourea|Dtxsid8042187|109-46-6","logHenry":-7.222,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.749,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.184,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.365,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.03,"MP.Reference":"EPA-CCD-OPERA","MW":188.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.52","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-46-6"}
{"Compound":"Pentanoic acid","CAS":"109-52-4","CAS.Checksum":true,"DTXSID":"DTXSID7021655","Formula":"C5H10O2","All.Compound.Names":"Pentanoic acid|Dtxsid7021655|109-52-4","logHenry":-6.323,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.389,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.942,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5201,"logWSol.Reference":"EPA-CCD-OPERA","MP":-33.92,"MP.Reference":"EPA-CCD-OPERA","MW":102.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-52-4"}
{"Compound":"Propane, 1-(ethenyloxy)-2-methyl-","CAS":"109-53-5","CAS.Checksum":true,"DTXSID":"DTXSID8029608","Formula":"C6H12O","All.Compound.Names":"Propane, 1-(ethenyloxy)-2-methyl-|Vinyl isobutyl ether|Dtxsid8029608","logHenry":-2.792,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.677,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.591,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.52,"logWSol.Reference":"EPA-CCD-OPERA","MP":-112,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-53-5"}
{"Compound":"3-(dimethylamino)propylamine","CAS":"109-55-7","CAS.Checksum":true,"DTXSID":"DTXSID5025102","Formula":"C5H14N2","All.Compound.Names":"3-(dimethylamino)propylamine|Dtxsid5025102|109-55-7","logHenry":-4.976,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.03594,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.432,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9903,"logWSol.Reference":"EPA-CCD-OPERA","MP":-59.82,"MP.Reference":"EPA-CCD-OPERA","MW":102.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-55-7"}
{"Compound":"Allylthiourea","CAS":"109-57-9","CAS.Checksum":true,"DTXSID":"DTXSID3024449","Formula":"C4H8N2S","All.Compound.Names":"Allylthiourea|Dtxsid3024449|109-57-9","logHenry":-8.391,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5746,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.986,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.206,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.14,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-57-9"}
{"Compound":"Ethanol, 2-(1-methylethoxy)-","CAS":"109-59-1","CAS.Checksum":true,"DTXSID":"DTXSID4047466","Formula":"C5H12O2","All.Compound.Names":"Ethanol, 2-(1-methylethoxy)-|2-isopropoxyethanol|Dtxsid4047466|109-59-1","logHenry":-6.037,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.05185,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.251,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9812,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.353,"MP.Reference":"EPA-CCD-OPERA","MW":104.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-59-1"}
{"Compound":"Propyl acetate","CAS":"109-60-4","CAS.Checksum":true,"DTXSID":"DTXSID6021901","Formula":"C5H10O2","All.Compound.Names":"Propyl acetate|Dtxsid6021901","logHenry":-3.661,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.24,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.948,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7225,"logWSol.Reference":"EPA-CCD-OPERA","MP":-90.74,"MP.Reference":"EPA-CCD-OPERA","MW":102.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-60-4"}
{"Compound":"1,3-dibromopropane","CAS":"109-64-8","CAS.Checksum":true,"DTXSID":"DTXSID1021902","Formula":"C3H6Br2","All.Compound.Names":"1,3-dibromopropane|Dtxsid1021902","logHenry":-3.052,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.371,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.422,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.081,"logWSol.Reference":"EPA-CCD-OPERA","MP":-34.32,"MP.Reference":"EPA-CCD-OPERA","MW":201.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-64-8"}
{"Compound":"Pentane","CAS":"109-66-0","CAS.Checksum":true,"DTXSID":"DTXSID2025846","Formula":"C5H12","All.Compound.Names":"Pentane|Dtxsid2025846","logHenry":0.09465,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.388,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.274,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.228,"logWSol.Reference":"EPA-CCD-OPERA","MP":-129.9,"MP.Reference":"EPA-CCD-OPERA","MW":72.15,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-66-0"}
{"Compound":"1-pentene","CAS":"109-67-1","CAS.Checksum":true,"DTXSID":"DTXSID7025849","Formula":"C5H10","All.Compound.Names":"1-pentene|Dtxsid7025849","logHenry":-0.6786,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.8,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8118,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.674,"logWSol.Reference":"EPA-CCD-OPERA","MP":-164.3,"MP.Reference":"EPA-CCD-OPERA","MW":70.14,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-67-1"}
{"Compound":"1-chlorobutane","CAS":"109-69-3","CAS.Checksum":true,"DTXSID":"DTXSID8020206","Formula":"C4H9Cl","All.Compound.Names":"1-chlorobutane|Dtxsid8020206","logHenry":-1.778,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.639,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1027,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.975,"logWSol.Reference":"EPA-CCD-OPERA","MP":-122.7,"MP.Reference":"EPA-CCD-OPERA","MW":92.57,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-69-3"}
{"Compound":"Butylamine","CAS":"109-73-9","CAS.Checksum":true,"DTXSID":"DTXSID1021904","Formula":"C4H11N","All.Compound.Names":"Butylamine|Dtxsid1021904|109-73-9","logHenry":-4.759,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9694,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.682,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.136,"logWSol.Reference":"EPA-CCD-OPERA","MP":-50.4,"MP.Reference":"EPA-CCD-OPERA","MW":73.14,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-73-9"}
{"Compound":"Propanedinitrile","CAS":"109-77-3","CAS.Checksum":true,"DTXSID":"DTXSID6021907","Formula":"C3H2N2","All.Compound.Names":"Propanedinitrile|Dtxsid6021907","logHenry":-6.956,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5997,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.697,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3039,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.04,"MP.Reference":"EPA-CCD-OPERA","MW":66.06,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-77-3"}
{"Compound":"3-hydroxypropanenitrile","CAS":"109-78-4","CAS.Checksum":true,"DTXSID":"DTXSID1025433","Formula":"C3H5NO","All.Compound.Names":"3-hydroxypropanenitrile|Dtxsid1025433|109-78-4","logHenry":-6.872,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9377,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.193,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.148,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.86,"MP.Reference":"EPA-CCD-OPERA","MW":71.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-78-4"}
{"Compound":"1-butanethiol","CAS":"109-79-5","CAS.Checksum":true,"DTXSID":"DTXSID6026824","Formula":"C4H10S","All.Compound.Names":"1-butanethiol|Dtxsid6026824|109-79-5","logHenry":-2.343,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.279,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5349,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.178,"logWSol.Reference":"EPA-CCD-OPERA","MP":-116.1,"MP.Reference":"EPA-CCD-OPERA","MW":90.18,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-79-5"}
{"Compound":"N-methylethanolamine","CAS":"109-83-1","CAS.Checksum":true,"DTXSID":"DTXSID5025603","Formula":"C3H9NO","All.Compound.Names":"N-methylethanolamine|N-methyl-n-hydroxyethylamine|Dtxsid5025603|109-83-1","logHenry":-7.209,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9414,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.623,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.122,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.399,"MP.Reference":"EPA-CCD-OPERA","MW":75.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-83-1"}
{"Compound":"2-hydroxyethylhydrazine","CAS":"109-84-2","CAS.Checksum":true,"DTXSID":"DTXSID1020728","Formula":"C2H8N2O","All.Compound.Names":"2-hydroxyethylhydrazine|Dtxsid1020728|109-84-2","logHenry":-7.965,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.616,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.555,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.118,"logWSol.Reference":"EPA-CCD-OPERA","MP":-69.9,"MP.Reference":"EPA-CCD-OPERA","MW":76.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-84-2"}
{"Compound":"2-methoxyethanol","CAS":"109-86-4","CAS.Checksum":true,"DTXSID":"DTXSID5024182","Formula":"C3H8O2","All.Compound.Names":"2-methoxyethanol|Dtxsid5024182|109-86-4","logHenry":-6.48,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.769,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.734,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.12,"logWSol.Reference":"EPA-CCD-OPERA","MP":-84.83,"MP.Reference":"EPA-CCD-OPERA","MW":76.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-86-4"}
{"Compound":"Diethylamine","CAS":"109-89-7","CAS.Checksum":true,"DTXSID":"DTXSID6021909","Formula":"C4H11N","All.Compound.Names":"Diethylamine|Dtxsid6021909|109-89-7","logHenry":-4.595,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5806,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.287,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9746,"logWSol.Reference":"EPA-CCD-OPERA","MP":-50.12,"MP.Reference":"EPA-CCD-OPERA","MW":73.14,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-89-7"}
{"Compound":"Ethyl nitrite","CAS":"109-95-5","CAS.Checksum":true,"DTXSID":"DTXSID9046574","Formula":"C2H5NO2","All.Compound.Names":"Ethyl nitrite|Dtxsid9046574|109-95-5","logHenry":-4.723,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.089,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.271,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.219,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.31,"MP.Reference":"EPA-CCD-OPERA","MW":75.07,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-95-5"}
{"Compound":"Pyrrole","CAS":"109-97-7","CAS.Checksum":true,"DTXSID":"DTXSID5021910","Formula":"C4H5N","All.Compound.Names":"Pyrrole|Dtxsid5021910|109-97-7","logHenry":-4.746,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7488,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.512,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1655,"logWSol.Reference":"EPA-CCD-OPERA","MP":-23.45,"MP.Reference":"EPA-CCD-OPERA","MW":67.09,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-97-7"}
{"Compound":"Tetrahydrofuran","CAS":"109-99-9","CAS.Checksum":true,"DTXSID":"DTXSID1021328","Formula":"C4H8O","All.Compound.Names":"Tetrahydrofuran|Dtxsid1021328","logHenry":-4.148,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4662,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.401,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7223,"logWSol.Reference":"EPA-CCD-OPERA","MP":-108.2,"MP.Reference":"EPA-CCD-OPERA","MW":72.11,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9879","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.8251","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"53560","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.6534","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"109-99-9"}
{"Compound":"Pp242","CAS":"1092351-67-1","CAS.Checksum":true,"DTXSID":"DTXSID5048685","Formula":"C16H16N6O","All.Compound.Names":"Pp242|Dtxsid5048685|1092351-67-1","logHenry":-9.519,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.784,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.448,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.243,"logWSol.Reference":"EPA-CCD-OPERA","MP":179,"MP.Reference":"EPA-CCD-OPERA","MW":308.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1092351-67-1"}
{"Compound":"Diflufenzopyr","CAS":"109293-97-2","CAS.Checksum":true,"DTXSID":"DTXSID8034538","Formula":"C15H12F2N4O3","All.Compound.Names":"Diflufenzopyr|Dtxsid8034538|109293-97-2","logHenry":-9.124,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.507,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.794,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.742,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.1,"MP.Reference":"EPA-CCD-OPERA","MW":334.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.19","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109293-97-2"}
{"Compound":"Diflufenzopyr-sodium","CAS":"109293-98-3","CAS.Checksum":true,"DTXSID":"DTXSID9032375","Formula":"C15H11F2N4NaO3","All.Compound.Names":"Diflufenzopyr-sodium|Dtxsid9032375|109293-98-3","logHenry":-7.52,"logHenry.Reference":"OPERA29","logP":0.26,"logP.Reference":"OPERA29","logWSol":-2.74,"logWSol.Reference":"OPERA29","MP":178,"MP.Reference":"OPERA29","MW":356.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.19","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109293-98-3"}
{"Compound":"Clostebol","CAS":"1093-58-9","CAS.Checksum":true,"DTXSID":"DTXSID5046192","Formula":"C19H27ClO2","All.Compound.Names":"Clostebol|Dtxsid5046192|1093-58-9","logHenry":-6.875,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.304,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.586,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.528,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.9,"MP.Reference":"EPA-CCD-OPERA","MW":322.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1093-58-9"}
{"Compound":"Ethopropazine hydrochloride","CAS":"1094-08-2","CAS.Checksum":true,"DTXSID":"DTXSID4045347","Formula":"C19H25ClN2S","All.Compound.Names":"Ethopropazine hydrochloride|Dtxsid4045347|1094-08-2","logHenry":-5.177,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.867,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.051,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.599,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.6,"MP.Reference":"EPA-CCD-OPERA","MW":348.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1094-08-2"}
{"Compound":"Methadone hydrochloride","CAS":"1095-90-5","CAS.Checksum":true,"DTXSID":"DTXSID2020501","Formula":"C21H28ClNO","All.Compound.Names":"Methadone hydrochloride|Dtxsid2020501|1095-90-5","logHenry":-8.016,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.348,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.593,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.612,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.1,"MP.Reference":"EPA-CCD-OPERA","MW":345.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.76","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1095-90-5"}
{"Compound":"Romazarit","CAS":"109543-76-2","CAS.Checksum":true,"DTXSID":"DTXSID6046216","Formula":"C15H16ClNO4","All.Compound.Names":"Romazarit|Dtxsid6046216|109543-76-2","logHenry":-8.291,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.015,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.243,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.353,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.5,"MP.Reference":"EPA-CCD-OPERA","MW":309.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.44","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109543-76-2"}
{"Compound":"Dimethyl(2-phenoxyethyl)-2-thenylammonium iodide","CAS":"109732-56-1","CAS.Checksum":true,"DTXSID":"DTXSID7049055","Formula":"C15H20INOS","All.Compound.Names":"Dimethyl(2-phenoxyethyl)-2-thenylammonium iodide|Dtxsid7049055|109732-56-1","logHenry":-4.813,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.143,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.586,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.869,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.7,"MP.Reference":"EPA-CCD-OPERA","MW":389.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109732-56-1"}
{"Compound":"Triflupromazine hydrochloride","CAS":"1098-60-8","CAS.Checksum":true,"DTXSID":"DTXSID8045804","Formula":"C18H20ClF3N2S","All.Compound.Names":"Triflupromazine hydrochloride|Dtxsid8045804|1098-60-8","logHenry":-5.483,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.424,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.986,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.3,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.4,"MP.Reference":"EPA-CCD-OPERA","MW":388.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1098-60-8"}
{"Compound":"Zaldaride","CAS":"109826-26-8","CAS.Checksum":true,"DTXSID":"DTXSID7046091","Formula":"C26H28N4O2","All.Compound.Names":"Zaldaride|Dtxsid7046091|109826-26-8","logHenry":-9.963,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.399,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.775,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.465,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.3,"MP.Reference":"EPA-CCD-OPERA","MW":428.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.01","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109826-26-8"}
{"Compound":"Furan","CAS":"110-00-9","CAS.Checksum":true,"DTXSID":"DTXSID6020646","Formula":"C4H4O","All.Compound.Names":"Furan|Dtxsid6020646|110-00-9","logHenry":-3.85,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.34,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9202,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8229,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.57,"MP.Reference":"EPA-CCD-OPERA","MW":68.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.104","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.6212","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"11.41","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.524","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"110-00-9"}
{"Compound":"Tetrahydrothiophene","CAS":"110-01-0","CAS.Checksum":true,"DTXSID":"DTXSID3047760","Formula":"C4H8S","All.Compound.Names":"Tetrahydrothiophene|Dtxsid3047760","logHenry":-2.606,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.611,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.045,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.665,"logWSol.Reference":"EPA-CCD-OPERA","MP":-95.75,"MP.Reference":"EPA-CCD-OPERA","MW":88.17,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-01-0"}
{"Compound":"Thiophene","CAS":"110-02-1","CAS.Checksum":true,"DTXSID":"DTXSID8026145","Formula":"C4H4S","All.Compound.Names":"Thiophene|Dtxsid8026145","logHenry":-2.645,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.849,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.42,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.42,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.53,"MP.Reference":"EPA-CCD-OPERA","MW":84.14,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-02-1"}
{"Compound":"2,5-dimethylhexane-2,5-diol","CAS":"110-03-2","CAS.Checksum":true,"DTXSID":"DTXSID0026830","Formula":"C8H18O2","All.Compound.Names":"2,5-dimethylhexane-2,5-diol|Dtxsid0026830|110-03-2","logHenry":-6.636,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.593,"logP.Reference":"EPA-CCD-OPERA","logPwa":6,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7004,"logWSol.Reference":"EPA-CCD-OPERA","MP":91.67,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-03-2"}
{"Compound":"Di-tert-butyl peroxide","CAS":"110-05-4","CAS.Checksum":true,"DTXSID":"DTXSID2024955","Formula":"C8H18O2","All.Compound.Names":"Di-tert-butyl peroxide|Dtxsid2024955","logHenry":-3.197,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.465,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.014,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.158,"logWSol.Reference":"EPA-CCD-OPERA","MP":-40.2,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-05-4"}
{"Compound":"5-methyl-2-hexanone","CAS":"110-12-3","CAS.Checksum":true,"DTXSID":"DTXSID5021914","Formula":"C7H14O","All.Compound.Names":"5-methyl-2-hexanone|Dtxsid5021914","logHenry":-3.992,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.879,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.503,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.328,"logWSol.Reference":"EPA-CCD-OPERA","MP":-73,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-12-3"}
{"Compound":"Butanedioic acid","CAS":"110-15-6","CAS.Checksum":true,"DTXSID":"DTXSID6023602","Formula":"C4H6O4","All.Compound.Names":"Butanedioic acid|Dtxsid6023602|110-15-6","logHenry":-8.053,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5897,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.802,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.03777,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.7,"MP.Reference":"EPA-CCD-OPERA","MW":118.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-15-6"}
{"Compound":"Maleic acid","CAS":"110-16-7","CAS.Checksum":true,"DTXSID":"DTXSID8021517","Formula":"C4H4O4","All.Compound.Names":"Maleic acid|Dtxsid8021517|110-16-7","logHenry":-8.169,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4808,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.675,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.212,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.8,"MP.Reference":"EPA-CCD-OPERA","MW":116.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-16-7"}
{"Compound":"Fumaric acid","CAS":"110-17-8","CAS.Checksum":true,"DTXSID":"DTXSID3021518","Formula":"C4H4O4","All.Compound.Names":"Fumaric acid|Dtxsid3021518|110-17-8","logHenry":-8.169,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4808,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.675,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.212,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.8,"MP.Reference":"EPA-CCD-OPERA","MW":116.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-17-8"}
{"Compound":"N,n,n',n'-tetramethylethylenediamine","CAS":"110-18-9","CAS.Checksum":true,"DTXSID":"DTXSID5026122","Formula":"C6H16N2","All.Compound.Names":"N,n,n',n'-tetramethylethylenediamine|Dtxsid5026122|110-18-9","logHenry":-4.255,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.447,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6053,"logWSol.Reference":"EPA-CCD-OPERA","MP":-54.97,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-18-9"}
{"Compound":"Isobutyl acetate","CAS":"110-19-0","CAS.Checksum":true,"DTXSID":"DTXSID5026837","Formula":"C6H12O2","All.Compound.Names":"Isobutyl acetate|Dtxsid5026837","logHenry":-3.346,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.77,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.473,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.25,"logWSol.Reference":"EPA-CCD-OPERA","MP":-97.77,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-19-0"}
{"Compound":"Biurea","CAS":"110-21-4","CAS.Checksum":true,"DTXSID":"DTXSID6024628","Formula":"C2H6N4O2","All.Compound.Names":"Biurea|Dtxsid6024628|110-21-4","logHenry":-8.45,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8751,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.056,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.59,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.9,"MP.Reference":"EPA-CCD-OPERA","MW":118.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-21-4"}
{"Compound":"Isopropyl tetradecanoic acid","CAS":"110-27-0","CAS.Checksum":true,"DTXSID":"DTXSID0026838","Formula":"C17H34O2","All.Compound.Names":"Isopropyl tetradecanoic acid|Isopropyl tetradecanoate|Dtxsid0026838","logHenry":-6.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.903,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.305,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.285,"logWSol.Reference":"EPA-CCD-OPERA","MP":3.299,"MP.Reference":"EPA-CCD-OPERA","MW":270.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-27-0"}
{"Compound":"Dihexyl hexanedioate","CAS":"110-33-8","CAS.Checksum":true,"DTXSID":"DTXSID9026841","Formula":"C18H34O4","All.Compound.Names":"Dihexyl hexanedioate|Dtxsid9026841","logHenry":-6.635,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.969,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.802,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.456,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.19,"MP.Reference":"EPA-CCD-OPERA","MW":314.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-33-8"}
{"Compound":"Ethyl decanoate","CAS":"110-38-3","CAS.Checksum":true,"DTXSID":"DTXSID0044363","Formula":"C12H24O2","All.Compound.Names":"Ethyl decanoate|Dtxsid0044363","logHenry":-3.798,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.51,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.565,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.102,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.86,"MP.Reference":"EPA-CCD-OPERA","MW":200.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-38-3"}
{"Compound":"Diethyl decanedioate","CAS":"110-40-7","CAS.Checksum":true,"DTXSID":"DTXSID0021915","Formula":"C14H26O4","All.Compound.Names":"Diethyl decanedioate|Dtxsid0021915","logHenry":-7.047,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.94,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.441,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.504,"logWSol.Reference":"EPA-CCD-OPERA","MP":4.389,"MP.Reference":"EPA-CCD-OPERA","MW":258.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-40-7"}
{"Compound":"2-methylundecanal","CAS":"110-41-8","CAS.Checksum":true,"DTXSID":"DTXSID9047629","Formula":"C12H24O","All.Compound.Names":"2-methylundecanal|Dtxsid9047629","logHenry":-3.249,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.8,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9717,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.018,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.16,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-41-8"}
{"Compound":"Methyl decanoate","CAS":"110-42-9","CAS.Checksum":true,"DTXSID":"DTXSID4026842","Formula":"C11H22O2","All.Compound.Names":"Methyl decanoate|Dtxsid4026842","logHenry":-3.753,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.409,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.414,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.622,"logWSol.Reference":"EPA-CCD-OPERA","MP":-19.34,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-42-9"}
{"Compound":"2-heptanone","CAS":"110-43-0","CAS.Checksum":true,"DTXSID":"DTXSID5021916","Formula":"C7H14O","All.Compound.Names":"2-heptanone|Dtxsid5021916","logHenry":-3.774,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.98,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.067,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.42,"logWSol.Reference":"EPA-CCD-OPERA","MP":-35.53,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-43-0"}
{"Compound":"Sorbic acid","CAS":"110-44-1","CAS.Checksum":true,"DTXSID":"DTXSID3021277","Formula":"C6H8O2","All.Compound.Names":"Sorbic acid|2e,4e-hexadienoic acid|Dtxsid3021277|110-44-1","logHenry":-6.177,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.33,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.482,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.704,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.9,"MP.Reference":"EPA-CCD-OPERA","MW":112.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-44-1"}
{"Compound":"3-methylbutyl nitrite","CAS":"110-46-3","CAS.Checksum":true,"DTXSID":"DTXSID9025455","Formula":"C5H11NO2","All.Compound.Names":"3-methylbutyl nitrite|Dtxsid9025455|110-46-3","logHenry":-5.169,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.138,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.093,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.3,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.33,"MP.Reference":"EPA-CCD-OPERA","MW":117.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-46-3"}
{"Compound":"1,4-dibromobutane","CAS":"110-52-1","CAS.Checksum":true,"DTXSID":"DTXSID5044364","Formula":"C4H8Br2","All.Compound.Names":"1,4-dibromobutane|Dtxsid5044364","logHenry":-3.129,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.943,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.574,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.789,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.01,"MP.Reference":"EPA-CCD-OPERA","MW":215.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-52-1"}
{"Compound":"1-bromopentane","CAS":"110-53-2","CAS.Checksum":true,"DTXSID":"DTXSID3049203","Formula":"C5H11Br","All.Compound.Names":"1-bromopentane|Dtxsid3049203","logHenry":-1.8,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.37,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6007,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.075,"logWSol.Reference":"EPA-CCD-OPERA","MP":-95.36,"MP.Reference":"EPA-CCD-OPERA","MW":151,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-53-2"}
{"Compound":"Hexane","CAS":"110-54-3","CAS.Checksum":true,"DTXSID":"DTXSID0021917","Formula":"C6H14","All.Compound.Names":"Hexane|N-hexane|Dtxsid0021917","logHenry":-0.3078,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.901,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.34,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.897,"logWSol.Reference":"EPA-CCD-OPERA","MP":-96.25,"MP.Reference":"EPA-CCD-OPERA","MW":86.18,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.557","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.1931","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"30.13","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.2909","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"110-54-3"}
{"Compound":"(2e)-1,4-dichlorobut-2-ene","CAS":"110-57-6","CAS.Checksum":true,"DTXSID":"DTXSID6020434","Formula":"C4H6Cl2","All.Compound.Names":"(2e)-1,4-dichlorobut-2-ene|Dtxsid6020434","logHenry":-2.981,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.053,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.55,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.276,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.53,"MP.Reference":"EPA-CCD-OPERA","MW":125,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-57-6"}
{"Compound":"Valeronitrile","CAS":"110-59-8","CAS.Checksum":true,"DTXSID":"DTXSID3026275","Formula":"C5H9N","All.Compound.Names":"Valeronitrile|Dtxsid3026275","logHenry":-4.513,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.119,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.423,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.172,"logWSol.Reference":"EPA-CCD-OPERA","MP":-95.59,"MP.Reference":"EPA-CCD-OPERA","MW":83.13,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-59-8"}
{"Compound":"Succinonitrile","CAS":"110-61-2","CAS.Checksum":true,"DTXSID":"DTXSID9026059","Formula":"C4H4N2","All.Compound.Names":"Succinonitrile|Dtxsid9026059","logHenry":-7.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9885,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.64,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2063,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.31,"MP.Reference":"EPA-CCD-OPERA","MW":80.09,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-61-2"}
{"Compound":"Pentanal","CAS":"110-62-3","CAS.Checksum":true,"DTXSID":"DTXSID7021653","Formula":"C5H10O","All.Compound.Names":"Pentanal|Dtxsid7021653","logHenry":-3.835,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.063,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.034,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8578,"logWSol.Reference":"EPA-CCD-OPERA","MP":-88.74,"MP.Reference":"EPA-CCD-OPERA","MW":86.13,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-62-3"}
{"Compound":"1,4-butanediol","CAS":"110-63-4","CAS.Checksum":true,"DTXSID":"DTXSID2024666","Formula":"C4H10O2","All.Compound.Names":"1,4-butanediol|Dtxsid2024666|110-63-4","logHenry":-7.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8273,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.899,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.045,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.77,"MP.Reference":"EPA-CCD-OPERA","MW":90.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-63-4"}
{"Compound":"2-butene-1,4-diol","CAS":"110-64-5","CAS.Checksum":true,"DTXSID":"DTXSID9026849","Formula":"C4H8O2","All.Compound.Names":"2-butene-1,4-diol|Dtxsid9026849|110-64-5","logHenry":-7.259,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8102,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.782,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9475,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.76,"MP.Reference":"EPA-CCD-OPERA","MW":88.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-64-5"}
{"Compound":"2-butyne-1,4-diol","CAS":"110-65-6","CAS.Checksum":true,"DTXSID":"DTXSID4021921","Formula":"C4H6O2","All.Compound.Names":"2-butyne-1,4-diol|Dtxsid4021921|110-65-6","logHenry":-7.151,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5295,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.276,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6402,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.92,"MP.Reference":"EPA-CCD-OPERA","MW":86.09,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-65-6"}
{"Compound":"3-methoxypropionitrile","CAS":"110-67-8","CAS.Checksum":true,"DTXSID":"DTXSID3026851","Formula":"C4H7NO","All.Compound.Names":"3-methoxypropionitrile|Dtxsid3026851","logHenry":-6.693,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1681,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.938,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9235,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.101,"MP.Reference":"EPA-CCD-OPERA","MW":85.11,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-67-8"}
{"Compound":"Butanal oxime","CAS":"110-69-0","CAS.Checksum":true,"DTXSID":"DTXSID2024664","Formula":"C4H9NO","All.Compound.Names":"Butanal oxime|Butyraldehyde oxime|Dtxsid2024664|110-69-0","logHenry":-5.854,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7549,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.123,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6885,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.22,"MP.Reference":"EPA-CCD-OPERA","MW":87.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-69-0"}
{"Compound":"Ethylene glycol dimethyl ether","CAS":"110-71-4","CAS.Checksum":true,"DTXSID":"DTXSID0025286","Formula":"C4H10O2","All.Compound.Names":"Ethylene glycol dimethyl ether|Dtxsid0025286","logHenry":-4.185,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2092,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.141,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.044,"logWSol.Reference":"EPA-CCD-OPERA","MP":-58.55,"MP.Reference":"EPA-CCD-OPERA","MW":90.12,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-71-4"}
{"Compound":"2-(ethylamino)ethanol","CAS":"110-73-6","CAS.Checksum":true,"DTXSID":"DTXSID9021922","Formula":"C4H11NO","All.Compound.Names":"2-(ethylamino)ethanol|Dtxsid9021922|110-73-6","logHenry":-7.14,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6327,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.497,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.034,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.94,"MP.Reference":"EPA-CCD-OPERA","MW":89.14,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-73-6"}
{"Compound":"2-chloroethyl vinyl ether","CAS":"110-75-8","CAS.Checksum":true,"DTXSID":"DTXSID0051570","Formula":"C4H7ClO","All.Compound.Names":"2-chloroethyl vinyl ether|Dtxsid0051570","logHenry":-4.119,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.079,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.188,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.381,"logWSol.Reference":"EPA-CCD-OPERA","MP":-70.03,"MP.Reference":"EPA-CCD-OPERA","MW":106.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-75-8"}
{"Compound":"2-ethoxyethanol","CAS":"110-80-5","CAS.Checksum":true,"DTXSID":"DTXSID7024087","Formula":"C4H10O2","All.Compound.Names":"2-ethoxyethanol|Dtxsid7024087|110-80-5","logHenry":-6.325,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3199,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.558,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.045,"logWSol.Reference":"EPA-CCD-OPERA","MP":-69.69,"MP.Reference":"EPA-CCD-OPERA","MW":90.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-80-5"}
{"Compound":"Cyclohexane","CAS":"110-82-7","CAS.Checksum":true,"DTXSID":"DTXSID4021923","Formula":"C6H12","All.Compound.Names":"Cyclohexane|Dtxsid4021923","logHenry":-0.8222,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.44,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4948,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.142,"logWSol.Reference":"EPA-CCD-OPERA","MP":4.385,"MP.Reference":"EPA-CCD-OPERA","MW":84.16,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-82-7"}
{"Compound":"Piperazine","CAS":"110-85-0","CAS.Checksum":true,"DTXSID":"DTXSID1021164","Formula":"C4H10N2","All.Compound.Names":"Piperazine|Dtxsid1021164|110-85-0","logHenry":-6.94,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.497,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.462,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6362,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.07,"MP.Reference":"EPA-CCD-OPERA","MW":86.14,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-85-0"}
{"Compound":"Pyridine","CAS":"110-86-1","CAS.Checksum":true,"DTXSID":"DTXSID9021924","Formula":"C5H5N","All.Compound.Names":"Pyridine|Dtxsid9021924|110-86-1","logHenry":-4.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6512,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.67,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9758,"logWSol.Reference":"EPA-CCD-OPERA","MP":-41.56,"MP.Reference":"EPA-CCD-OPERA","MW":79.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-86-1"}
{"Compound":"3,4-dihydro-2h-pyran","CAS":"110-87-2","CAS.Checksum":true,"DTXSID":"DTXSID6041426","Formula":"C5H8O","All.Compound.Names":"3,4-dihydro-2h-pyran|Dtxsid6041426","logHenry":-4.127,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6922,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.407,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3569,"logWSol.Reference":"EPA-CCD-OPERA","MP":-69.84,"MP.Reference":"EPA-CCD-OPERA","MW":84.12,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-87-2"}
{"Compound":"1,3,5-trioxane","CAS":"110-88-3","CAS.Checksum":true,"DTXSID":"DTXSID4021925","Formula":"C3H6O3","All.Compound.Names":"1,3,5-trioxane|Dtxsid4021925","logHenry":-4.474,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4307,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.546,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2917,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.09,"MP.Reference":"EPA-CCD-OPERA","MW":90.08,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-88-3"}
{"Compound":"Piperidine","CAS":"110-89-4","CAS.Checksum":true,"DTXSID":"DTXSID6021165","Formula":"C5H11N","All.Compound.Names":"Piperidine|Dtxsid6021165|110-89-4","logHenry":-5.35,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8396,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.217,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.066,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.104,"MP.Reference":"EPA-CCD-OPERA","MW":85.15,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-89-4"}
{"Compound":"Morpholine","CAS":"110-91-8","CAS.Checksum":true,"DTXSID":"DTXSID2025688","Formula":"C4H9NO","All.Compound.Names":"Morpholine|Dtxsid2025688|110-91-8","logHenry":-6.166,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8582,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.164,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.06,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.933,"MP.Reference":"EPA-CCD-OPERA","MW":87.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-91-8"}
{"Compound":"6-methyl-5-hepten-2-one","CAS":"110-93-0","CAS.Checksum":true,"DTXSID":"DTXSID5021629","Formula":"C8H14O","All.Compound.Names":"6-methyl-5-hepten-2-one|Dtxsid5021629","logHenry":-4.133,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.186,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.318,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.422,"logWSol.Reference":"EPA-CCD-OPERA","MP":-66.24,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-93-0"}
{"Compound":"Pentanedioic acid","CAS":"110-94-1","CAS.Checksum":true,"DTXSID":"DTXSID2021654","Formula":"C5H8O4","All.Compound.Names":"Pentanedioic acid|Glutaric acid|Dtxsid2021654|110-94-1","logHenry":-9.973,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2897,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.744,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.032,"logWSol.Reference":"EPA-CCD-OPERA","MP":127.1,"MP.Reference":"EPA-CCD-OPERA","MW":132.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-94-1"}
{"Compound":"1,3-propanediamine, n,n,n',n'-tetramethyl-","CAS":"110-95-2","CAS.Checksum":true,"DTXSID":"DTXSID9047469","Formula":"C7H18N2","All.Compound.Names":"1,3-propanediamine, n,n,n',n'-tetramethyl-|N,n,n',n'-tetramethyltrimethylenediamine|Dtxsid9047469|110-95-2","logHenry":-4.265,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3052,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.172,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01797,"logWSol.Reference":"EPA-CCD-OPERA","MP":-47.11,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.52","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-95-2"}
{"Compound":"Diisobutylamine","CAS":"110-96-3","CAS.Checksum":true,"DTXSID":"DTXSID5025079","Formula":"C8H19N","All.Compound.Names":"Diisobutylamine|2-methyl-n-(2-methylpropyl)-1-propanamine|Dtxsid5025079|110-96-3","logHenry":-4.413,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.313,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.584,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.766,"logWSol.Reference":"EPA-CCD-OPERA","MP":-73.26,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-96-3"}
{"Compound":"Diisopropanolamine","CAS":"110-97-4","CAS.Checksum":true,"DTXSID":"DTXSID8020179","Formula":"C6H15NO2","All.Compound.Names":"Diisopropanolamine|Dtxsid8020179|110-97-4","logHenry":-8.526,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.819,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.076,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8132,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.51,"MP.Reference":"EPA-CCD-OPERA","MW":133.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-97-4"}
{"Compound":"1,1'-oxybis-2-propanol","CAS":"110-98-5","CAS.Checksum":true,"DTXSID":"DTXSID7026863","Formula":"C6H14O3","All.Compound.Names":"1,1'-oxybis-2-propanol|Dtxsid7026863|110-98-5","logHenry":-8.526,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.611,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.013,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6666,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.34,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-98-5"}
{"Compound":"Diglycolic acid","CAS":"110-99-6","CAS.Checksum":true,"DTXSID":"DTXSID4041575","Formula":"C4H6O5","All.Compound.Names":"Diglycolic acid|Dtxsid4041575|110-99-6","logHenry":-9.278,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6149,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.009,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4907,"logWSol.Reference":"EPA-CCD-OPERA","MP":148,"MP.Reference":"EPA-CCD-OPERA","MW":134.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-99-6"}
{"Compound":"Benzyltriphenylphosphonium chloride","CAS":"1100-88-5","CAS.Checksum":true,"DTXSID":"DTXSID6051566","Formula":"C25H22ClP","All.Compound.Names":"Benzyltriphenylphosphonium chloride","logHenry":-6.188,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.885,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.802,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.023,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.4,"MP.Reference":"EPA-CCD-OPERA","MW":388.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1100-88-5"}
{"Compound":"Chlorophyllide cu complex sodium salt","CAS":"11006-34-1","CAS.Checksum":true,"DTXSID":"DTXSID1045956","Formula":"C34H31CuN4Na3O6","All.Compound.Names":"Chlorophyllide cu complex sodium salt|Dtxsid1045956|11006-34-1","logHenry":-6.53,"logHenry.Reference":"OPERA29","logP":-0.7668,"logP.Reference":"Dawson 2023","logWSol":-2.77,"logWSol.Reference":"OPERA29","MP":150,"MP.Reference":"OPERA29","MW":724.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"11006-34-1"}
{"Compound":"Methyl hesperidin","CAS":"11013-97-1","CAS.Checksum":true,"DTXSID":"DTXSID7020841","Formula":"C29H36O15","All.Compound.Names":"Methyl hesperidin|Dtxsid7020841|11013-97-1","logHenry":-10.8,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6096,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.955,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9999,"logWSol.Reference":"EPA-CCD-OPERA","MP":234.5,"MP.Reference":"EPA-CCD-OPERA","MW":624.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"11013-97-1"}
{"Compound":"Temocapril hydrochloride","CAS":"110221-44-8","CAS.Checksum":true,"DTXSID":"DTXSID7046914","Formula":"C23H29ClN2O5S2","All.Compound.Names":"Temocapril hydrochloride|Dtxsid7046914|110221-44-8","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.023,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.636,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.736,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.2,"MP.Reference":"EPA-CCD-OPERA","MW":513.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110221-44-8"}
{"Compound":"Digitonin","CAS":"11024-24-1","CAS.Checksum":true,"DTXSID":"DTXSID1025065","Formula":"C56H92O29","All.Compound.Names":"Digitonin|Dtxsid1025065","logHenry":-10.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.924,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.56,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5288,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.8,"MP.Reference":"EPA-CCD-OPERA","MW":1229,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"11024-24-1"}
{"Compound":"Selfotel","CAS":"110347-85-8","CAS.Checksum":true,"DTXSID":"DTXSID5045675","Formula":"C7H14NO5P","All.Compound.Names":"Selfotel|Dtxsid5045675|110347-85-8","logHenry":-9.819,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.292,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.341,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.0455,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.5,"MP.Reference":"EPA-CCD-OPERA","MW":223.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.39","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"-0.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110347-85-8"}
{"Compound":"Meclozine dihydrochloride","CAS":"1104-22-9","CAS.Checksum":true,"DTXSID":"DTXSID9045348","Formula":"C25H29Cl3N2","All.Compound.Names":"Meclozine dihydrochloride|Dtxsid9045348|1104-22-9","logHenry":-5.547,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.548,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.14,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.838,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.8,"MP.Reference":"EPA-CCD-OPERA","MW":463.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1104-22-9"}
{"Compound":"Gamma-oryzanol","CAS":"11042-64-1","CAS.Checksum":true,"DTXSID":"DTXSID6021084","All.Compound.Names":"Gamma-oryzanol","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"11042-64-1"}
{"Compound":"Glycyrrhizic acid, monosodium salt","CAS":"11052-19-0","CAS.Checksum":true,"DTXSID":"DTXSID5049025","Formula":"C42H61NaO16","All.Compound.Names":"Glycyrrhizic acid, monosodium salt|Dtxsid5049025|11052-19-0","logHenry":-10.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.791,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.796,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.578,"logWSol.Reference":"EPA-CCD-OPERA","MP":251.2,"MP.Reference":"EPA-CCD-OPERA","MW":844.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.48","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"11052-19-0"}
{"Compound":"2-methyl-4,6-bis[(octylthio)methyl]phenol","CAS":"110553-27-0","CAS.Checksum":true,"DTXSID":"DTXSID6044199","Formula":"C25H44OS2","All.Compound.Names":"2-methyl-4,6-bis[(octylthio)methyl]phenol|Dtxsid6044199|110553-27-0","logHenry":-7.989,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.372,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8767,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.701,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.2,"MP.Reference":"EPA-CCD-OPERA","MW":424.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110553-27-0"}
{"Compound":"Tetronic 701","CAS":"110617-70-4","CAS.Checksum":true,"DTXSID":"DTXSID8047630","All.Compound.Names":"Tetronic 701","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110617-70-4"}
{"Compound":"1,3-isobenzofurandione, tetrahydromethyl-","CAS":"11070-44-3","CAS.Checksum":true,"DTXSID":"DTXSID0027729","All.Compound.Names":"1,3-isobenzofurandione, tetrahydromethyl-|Isomethyltetrahydrophthalic anhydride","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"11070-44-3"}
{"Compound":"Cromoglicate lisetil","CAS":"110816-79-0","CAS.Checksum":true,"DTXSID":"DTXSID5057620","Formula":"C33H36N2O12","All.Compound.Names":"Cromoglicate lisetil|Dtxsid5057620|110816-79-0","logHenry":-10.92,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.169,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.578,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.547,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.7,"MP.Reference":"EPA-CCD-OPERA","MW":652.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110816-79-0"}
{"Compound":"Maltotriose","CAS":"1109-28-0","CAS.Checksum":true,"DTXSID":"DTXSID6048963","Formula":"C18H32O16","All.Compound.Names":"Maltotriose|Dtxsid6048963|1109-28-0","logHenry":-10.6,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.609,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.21,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2567,"logWSol.Reference":"EPA-CCD-OPERA","MP":173,"MP.Reference":"EPA-CCD-OPERA","MW":504.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1109-28-0"}
{"Compound":"Fasoracetam","CAS":"110958-19-5","CAS.Checksum":true,"DTXSID":"DTXSID9048855","Formula":"C10H16N2O2","All.Compound.Names":"Fasoracetam|Dtxsid9048855|110958-19-5","logHenry":-9.182,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.01124,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.525,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.073,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.8,"MP.Reference":"EPA-CCD-OPERA","MW":196.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110958-19-5"}
{"Compound":"Aroclor 1260","CAS":"11096-82-5","CAS.Checksum":true,"DTXSID":"DTXSID0020101","All.Compound.Names":"Aroclor 1260","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"11096-82-5"}
{"Compound":"C.i. solvent black 5","CAS":"11099-03-9","CAS.Checksum":true,"DTXSID":"DTXSID0026040","Formula":"C8H19ClN2O","All.Compound.Names":"C.i. solvent black 5|11099-03-9","logHenry":-7.71,"logHenry.Reference":"OPERA29","logP":1.5,"logP.Reference":"OPERA29","logWSol":-2.27,"logWSol.Reference":"OPERA29","MP":-44,"MP.Reference":"OPERA29","MW":194.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"11099-03-9"}
{"Compound":"Glyceryl stearates","CAS":"11099-07-3","CAS.Checksum":true,"DTXSID":"DTXSID9029304","All.Compound.Names":"Glyceryl stearates|Glyceryl stearate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"11099-07-3"}
{"Compound":"Squalane","CAS":"111-01-3","CAS.Checksum":true,"DTXSID":"DTXSID0046513","Formula":"C30H62","All.Compound.Names":"Squalane|Dtxsid0046513","logHenry":-6.119,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.119,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.593,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.078,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.14,"MP.Reference":"EPA-CCD-OPERA","MW":422.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-01-3"}
{"Compound":"Methyl 2-octynoate","CAS":"111-12-6","CAS.Checksum":true,"DTXSID":"DTXSID9047093","Formula":"C9H14O2","All.Compound.Names":"Methyl 2-octynoate|Dtxsid9047093","logHenry":-3.276,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.796,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.17,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.588,"logWSol.Reference":"EPA-CCD-OPERA","MP":-67.09,"MP.Reference":"EPA-CCD-OPERA","MW":154.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-12-6"}
{"Compound":"Heptanoic acid","CAS":"111-14-8","CAS.Checksum":true,"DTXSID":"DTXSID2021600","Formula":"C7H14O2","All.Compound.Names":"Heptanoic acid|Dtxsid2021600|111-14-8","logHenry":-6.088,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.419,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.332,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.661,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.439,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-14-8"}
{"Compound":"2-ethoxyethyl acetate","CAS":"111-15-9","CAS.Checksum":true,"DTXSID":"DTXSID9021928","Formula":"C6H12O3","All.Compound.Names":"2-ethoxyethyl acetate|Ethylene glycol monoethyl ether acetate|Dtxsid9021928","logHenry":-5.491,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5922,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.887,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2649,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.64,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-15-9"}
{"Compound":"Heptanedioic acid","CAS":"111-16-0","CAS.Checksum":true,"DTXSID":"DTXSID5021598","Formula":"C7H12O4","All.Compound.Names":"Heptanedioic acid|Dtxsid5021598|111-16-0","logHenry":-8.584,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6092,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.191,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5092,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.1,"MP.Reference":"EPA-CCD-OPERA","MW":160.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-16-0"}
{"Compound":"Bis(2-carboxyethyl) sulfide","CAS":"111-17-1","CAS.Checksum":true,"DTXSID":"DTXSID8044200","Formula":"C6H10O4S","All.Compound.Names":"Bis(2-carboxyethyl) sulfide|3,3'-thiodipropionic acid|Dtxsid8044200|111-17-1","logHenry":-8.596,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9323,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.907,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6804,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.1,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-17-1"}
{"Compound":"N,n,n',n`-tetramethylhexanediamine","CAS":"111-18-2","CAS.Checksum":true,"DTXSID":"DTXSID5033701","Formula":"C10H24N2","All.Compound.Names":"N,n,n',n`-tetramethylhexanediamine|N,n,n',n'-tetramethyl-1,6-hexanediamine|Dtxsid5033701|111-18-2","logHenry":-3.879,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.418,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.587,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.96,"logWSol.Reference":"EPA-CCD-OPERA","MP":-50.07,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-18-2"}
{"Compound":"Decanedioic acid","CAS":"111-20-6","CAS.Checksum":true,"DTXSID":"DTXSID7026867","Formula":"C10H18O4","All.Compound.Names":"Decanedioic acid|Dtxsid7026867|111-20-6","logHenry":-8.931,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.145,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.818,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.302,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.8,"MP.Reference":"EPA-CCD-OPERA","MW":202.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-20-6"}
{"Compound":"Pentane,1,5-dibromo-","CAS":"111-24-0","CAS.Checksum":true,"DTXSID":"DTXSID2049395","Formula":"C5H10Br2","All.Compound.Names":"Pentane,1,5-dibromo-|1,5-dibromopentane|Dtxsid2049395","logHenry":-3.267,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.238,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.204,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.064,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.32,"MP.Reference":"EPA-CCD-OPERA","MW":229.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-24-0"}
{"Compound":"1-bromohexane","CAS":"111-25-1","CAS.Checksum":true,"DTXSID":"DTXSID4021929","Formula":"C6H13Br","All.Compound.Names":"1-bromohexane|Dtxsid4021929","logHenry":-2.114,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.8,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.03946,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.806,"logWSol.Reference":"EPA-CCD-OPERA","MP":-84.06,"MP.Reference":"EPA-CCD-OPERA","MW":165.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-25-1"}
{"Compound":"Hexylamine","CAS":"111-26-2","CAS.Checksum":true,"DTXSID":"DTXSID3021930","Formula":"C6H15N","All.Compound.Names":"Hexylamine|Dtxsid3021930|111-26-2","logHenry":-4.573,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.06,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.737,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9764,"logWSol.Reference":"EPA-CCD-OPERA","MP":-23.51,"MP.Reference":"EPA-CCD-OPERA","MW":101.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.78","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-26-2"}
{"Compound":"1-hexanol","CAS":"111-27-3","CAS.Checksum":true,"DTXSID":"DTXSID8021931","Formula":"C6H14O","All.Compound.Names":"1-hexanol|Dtxsid8021931|111-27-3","logHenry":-4.767,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.029,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.135,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.235,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.96,"MP.Reference":"EPA-CCD-OPERA","MW":102.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-27-3"}
{"Compound":"1,5-pentanediol","CAS":"111-29-5","CAS.Checksum":true,"DTXSID":"DTXSID2041256","Formula":"C5H12O2","All.Compound.Names":"1,5-pentanediol|Dtxsid2041256|111-29-5","logHenry":-8.53,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2913,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.503,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9898,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.75,"MP.Reference":"EPA-CCD-OPERA","MW":104.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-29-5"}
{"Compound":"Glutaraldehyde","CAS":"111-30-8","CAS.Checksum":true,"DTXSID":"DTXSID6025355","Formula":"C5H8O2","All.Compound.Names":"Glutaraldehyde|Dtxsid6025355","logHenry":-6.784,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1384,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.107,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2212,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.9,"MP.Reference":"EPA-CCD-OPERA","MW":100.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-30-8"}
{"Compound":"1-hexanethiol","CAS":"111-31-9","CAS.Checksum":true,"DTXSID":"DTXSID0051574","Formula":"C6H14S","All.Compound.Names":"1-hexanethiol|Dtxsid0051574|111-31-9","logHenry":-2.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.977,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.037,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.211,"logWSol.Reference":"EPA-CCD-OPERA","MP":-81.62,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-31-9"}
{"Compound":"Butyl vinyl ether","CAS":"111-34-2","CAS.Checksum":true,"DTXSID":"DTXSID5051575","Formula":"C6H12O","All.Compound.Names":"Butyl vinyl ether|Dtxsid5051575","logHenry":-2.782,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.889,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.296,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.523,"logWSol.Reference":"EPA-CCD-OPERA","MP":-92.48,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-34-2"}
{"Compound":"Butyl isocyanate","CAS":"111-36-4","CAS.Checksum":true,"DTXSID":"DTXSID6026872","Formula":"C5H9NO","All.Compound.Names":"Butyl isocyanate|Dtxsid6026872|111-36-4","logHenry":-3.514,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.804,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.734,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.245,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.22,"MP.Reference":"EPA-CCD-OPERA","MW":99.13,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-36-4"}
{"Compound":"Diethylenetriamine","CAS":"111-40-0","CAS.Checksum":true,"DTXSID":"DTXSID2025050","Formula":"C4H13N3","All.Compound.Names":"Diethylenetriamine|Diethylene triamine|Dtxsid2025050|111-40-0","logHenry":-8.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8286,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.598,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.984,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.97,"MP.Reference":"EPA-CCD-OPERA","MW":103.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.003","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0.9678,0.9129,1","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"111-40-0"}
{"Compound":"N-(hydroxyethyl)ethylenediamine","CAS":"111-41-1","CAS.Checksum":true,"DTXSID":"DTXSID7025423","Formula":"C4H12N2O","All.Compound.Names":"N-(hydroxyethyl)ethylenediamine|Dtxsid7025423|111-41-1","logHenry":-8.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.675,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.443,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9824,"logWSol.Reference":"EPA-CCD-OPERA","MP":-37.91,"MP.Reference":"EPA-CCD-OPERA","MW":104.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-41-1"}
{"Compound":"Diethanolamine","CAS":"111-42-2","CAS.Checksum":true,"DTXSID":"DTXSID3021932","Formula":"C4H11NO2","All.Compound.Names":"Diethanolamine|Dtxsid3021932|111-42-2","logHenry":-8.527,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.43,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.197,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9781,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.04,"MP.Reference":"EPA-CCD-OPERA","MW":105.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-42-2"}
{"Compound":"Propyl ether","CAS":"111-43-3","CAS.Checksum":true,"DTXSID":"DTXSID8042343","Formula":"C6H14O","All.Compound.Names":"Propyl ether|Dtxsid8042343","logHenry":-2.659,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.028,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.059,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.467,"logWSol.Reference":"EPA-CCD-OPERA","MP":-122,"MP.Reference":"EPA-CCD-OPERA","MW":102.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-43-3"}
{"Compound":"Bis(2-chloroethyl) ether","CAS":"111-44-4","CAS.Checksum":true,"DTXSID":"DTXSID9020168","Formula":"C4H8Cl2O","All.Compound.Names":"Bis(2-chloroethyl) ether|Bis(chloroethyl) ether|Dtxsid9020168","logHenry":-5.194,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.289,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.507,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.023,"logWSol.Reference":"EPA-CCD-OPERA","MP":-51.9,"MP.Reference":"EPA-CCD-OPERA","MW":143,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-44-4"}
{"Compound":"2,2'-thiobisethanol","CAS":"111-48-8","CAS.Checksum":true,"DTXSID":"DTXSID6026878","Formula":"C4H10O2S","All.Compound.Names":"2,2'-thiobisethanol|Dtxsid6026878|111-48-8","logHenry":-8.532,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6295,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.226,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9111,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.01,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.92","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-48-8"}
{"Compound":"Hexamethyleneimine","CAS":"111-49-9","CAS.Checksum":true,"DTXSID":"DTXSID1026879","Formula":"C6H13N","All.Compound.Names":"Hexamethyleneimine|Dtxsid1026879|111-49-9","logHenry":-5.211,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.308,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.465,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1266,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.38,"MP.Reference":"EPA-CCD-OPERA","MW":99.18,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-49-9"}
{"Compound":"1,2-ethanediol diacetate","CAS":"111-55-7","CAS.Checksum":true,"DTXSID":"DTXSID0026880","Formula":"C6H10O4","All.Compound.Names":"1,2-ethanediol diacetate|Dtxsid0026880","logHenry":-4.934,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4217,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.447,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.0783,"logWSol.Reference":"EPA-CCD-OPERA","MP":-30.39,"MP.Reference":"EPA-CCD-OPERA","MW":146.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-55-7"}
{"Compound":"2-hydroxyethyl octadecanoate","CAS":"111-60-4","CAS.Checksum":true,"DTXSID":"DTXSID5026881","Formula":"C20H40O3","All.Compound.Names":"2-hydroxyethyl octadecanoate|Dtxsid5026881|111-60-4","logHenry":-7.262,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.6,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.31,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.206,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.3,"MP.Reference":"EPA-CCD-OPERA","MW":328.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-60-4"}
{"Compound":"Ethyl oleate","CAS":"111-62-6","CAS.Checksum":true,"DTXSID":"DTXSID3047633","Formula":"C20H38O2","All.Compound.Names":"Ethyl oleate|Dtxsid3047633","logHenry":-6.576,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.961,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.357,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.4,"logWSol.Reference":"EPA-CCD-OPERA","MP":-13.22,"MP.Reference":"EPA-CCD-OPERA","MW":310.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-62-6"}
{"Compound":"Caprylyl chloride","CAS":"111-64-8","CAS.Checksum":true,"DTXSID":"DTXSID9024724","Formula":"C8H15ClO","All.Compound.Names":"Caprylyl chloride|Dtxsid9024724","logHenry":-3.845,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.844,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.168,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.153,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.88,"MP.Reference":"EPA-CCD-OPERA","MW":162.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-64-8"}
{"Compound":"Octane","CAS":"111-65-9","CAS.Checksum":true,"DTXSID":"DTXSID0026882","Formula":"C8H18","All.Compound.Names":"Octane|Dtxsid0026882","logHenry":-0.437,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.179,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.785,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.236,"logWSol.Reference":"EPA-CCD-OPERA","MP":-57.48,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.5","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.1031","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"3.5","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.1897","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"111-65-9"}
{"Compound":"1-octene","CAS":"111-66-0","CAS.Checksum":true,"DTXSID":"DTXSID6025804","Formula":"C8H16","All.Compound.Names":"1-octene|Dtxsid6025804","logHenry":-0.9058,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.57,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.189,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.438,"logWSol.Reference":"EPA-CCD-OPERA","MP":-102.6,"MP.Reference":"EPA-CCD-OPERA","MW":112.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-66-0"}
{"Compound":"Heptylamine","CAS":"111-68-2","CAS.Checksum":true,"DTXSID":"DTXSID7020681","Formula":"C7H17N","All.Compound.Names":"Heptylamine|Dtxsid7020681|111-68-2","logHenry":-4.605,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.57,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.463,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.85,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.14,"MP.Reference":"EPA-CCD-OPERA","MW":115.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-68-2"}
{"Compound":"Hexanedinitrile","CAS":"111-69-3","CAS.Checksum":true,"DTXSID":"DTXSID3021936","Formula":"C6H8N2","All.Compound.Names":"Hexanedinitrile|Dtxsid3021936","logHenry":-6.966,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3199,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.824,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1282,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.1336,"MP.Reference":"EPA-CCD-OPERA","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-69-3"}
{"Compound":"1-heptanol","CAS":"111-70-6","CAS.Checksum":true,"DTXSID":"DTXSID8021937","Formula":"C7H16O","All.Compound.Names":"1-heptanol|Dtxsid8021937|111-70-6","logHenry":-4.725,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.669,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.299,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.825,"logWSol.Reference":"EPA-CCD-OPERA","MP":-34.31,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-70-6"}
{"Compound":"Heptanal","CAS":"111-71-7","CAS.Checksum":true,"DTXSID":"DTXSID0021597","Formula":"C7H14O","All.Compound.Names":"Heptanal|Dtxsid0021597","logHenry":-3.57,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.934,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.937,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.832,"logWSol.Reference":"EPA-CCD-OPERA","MP":-42.86,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-71-7"}
{"Compound":"2-butoxyethanol","CAS":"111-76-2","CAS.Checksum":true,"DTXSID":"DTXSID1024097","Formula":"C6H14O2","All.Compound.Names":"2-butoxyethanol|Dtxsid1024097|111-76-2","logHenry":-5.798,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.828,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.071,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.03252,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.12,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.299","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.8332","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"6.691","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.5544","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"111-76-2"}
{"Compound":"Diethylene glycol monomethyl ether","CAS":"111-77-3","CAS.Checksum":true,"DTXSID":"DTXSID3025049","Formula":"C5H12O3","All.Compound.Names":"Diethylene glycol monomethyl ether|Dtxsid3025049|111-77-3","logHenry":-8.501,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5052,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.303,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9209,"logWSol.Reference":"EPA-CCD-OPERA","MP":-64.69,"MP.Reference":"EPA-CCD-OPERA","MW":120.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-77-3"}
{"Compound":"1,5-cyclooctadiene","CAS":"111-78-4","CAS.Checksum":true,"DTXSID":"DTXSID0026888","Formula":"C8H12","All.Compound.Names":"1,5-cyclooctadiene|Dtxsid0026888","logHenry":-2.115,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.161,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5675,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.211,"logWSol.Reference":"EPA-CCD-OPERA","MP":-55.02,"MP.Reference":"EPA-CCD-OPERA","MW":108.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-78-4"}
{"Compound":"Methyl 2-nonynoate","CAS":"111-80-8","CAS.Checksum":true,"DTXSID":"DTXSID3047639","Formula":"C10H16O2","All.Compound.Names":"Methyl 2-nonynoate|Dtxsid3047639","logHenry":-3.447,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.93,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.382,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.285,"logWSol.Reference":"EPA-CCD-OPERA","MP":-67.48,"MP.Reference":"EPA-CCD-OPERA","MW":168.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-80-8"}
{"Compound":"Methyl 10-undecenoate","CAS":"111-81-9","CAS.Checksum":true,"DTXSID":"DTXSID5046566","Formula":"C12H22O2","All.Compound.Names":"Methyl 10-undecenoate|Dtxsid5046566","logHenry":-3.802,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.25,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.557,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.202,"logWSol.Reference":"EPA-CCD-OPERA","MP":-27.88,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-81-9"}
{"Compound":"1-bromooctane","CAS":"111-83-1","CAS.Checksum":true,"DTXSID":"DTXSID3021938","Formula":"C8H17Br","All.Compound.Names":"1-bromooctane|Dtxsid3021938","logHenry":-2.209,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.889,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.04351,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.059,"logWSol.Reference":"EPA-CCD-OPERA","MP":-54.23,"MP.Reference":"EPA-CCD-OPERA","MW":193.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-83-1"}
{"Compound":"Nonane","CAS":"111-84-2","CAS.Checksum":true,"DTXSID":"DTXSID9025796","Formula":"C9H20","All.Compound.Names":"Nonane|Dtxsid9025796","logHenry":-0.7758,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.549,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.394,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.81,"logWSol.Reference":"EPA-CCD-OPERA","MP":-52.29,"MP.Reference":"EPA-CCD-OPERA","MW":128.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.936","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.08128","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"3.936","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.1523","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"111-84-2"}
{"Compound":"1-chlorooctane","CAS":"111-85-3","CAS.Checksum":true,"DTXSID":"DTXSID0021543","Formula":"C8H17Cl","All.Compound.Names":"1-chlorooctane|Dtxsid0021543","logHenry":-2.202,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.732,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2999,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.476,"logWSol.Reference":"EPA-CCD-OPERA","MP":-57.11,"MP.Reference":"EPA-CCD-OPERA","MW":148.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-85-3"}
{"Compound":"1-octanamine","CAS":"111-86-4","CAS.Checksum":true,"DTXSID":"DTXSID8021939","Formula":"C8H19N","All.Compound.Names":"1-octanamine|Dtxsid8021939|111-86-4","logHenry":-4.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.899,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.17,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.783,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.2249,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-86-4"}
{"Compound":"1-octanethiol","CAS":"111-88-6","CAS.Checksum":true,"DTXSID":"DTXSID4026894","Formula":"C8H18S","All.Compound.Names":"1-octanethiol|Dtxsid4026894|111-88-6","logHenry":-1.944,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.918,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5427,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.664,"logWSol.Reference":"EPA-CCD-OPERA","MP":-48.78,"MP.Reference":"EPA-CCD-OPERA","MW":146.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-88-6"}
{"Compound":"2-(2-ethoxyethoxy)ethanol","CAS":"111-90-0","CAS.Checksum":true,"DTXSID":"DTXSID2021941","Formula":"C6H14O3","All.Compound.Names":"2-(2-ethoxyethoxy)ethanol|Dtxsid2021941|111-90-0","logHenry":-8.459,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5372,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.18,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8723,"logWSol.Reference":"EPA-CCD-OPERA","MP":-75.77,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-90-0"}
{"Compound":"Bis(2-chloroethoxy)methane","CAS":"111-91-1","CAS.Checksum":true,"DTXSID":"DTXSID4023917","Formula":"C5H10Cl2O2","All.Compound.Names":"Bis(2-chloroethoxy)methane|Dtxsid4023917","logHenry":-4.408,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.104,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.208,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.342,"logWSol.Reference":"EPA-CCD-OPERA","MP":-31.99,"MP.Reference":"EPA-CCD-OPERA","MW":173,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-91-1"}
{"Compound":"N-butyl-1-butanamine","CAS":"111-92-2","CAS.Checksum":true,"DTXSID":"DTXSID7024952","Formula":"C8H19N","All.Compound.Names":"N-butyl-1-butanamine|Dtxsid7024952|111-92-2","logHenry":-4.052,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.828,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.888,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":-62,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-92-2"}
{"Compound":"3,3'-iminobispropanenitrile","CAS":"111-94-4","CAS.Checksum":true,"DTXSID":"DTXSID2041464","Formula":"C6H9N3","All.Compound.Names":"3,3'-iminobispropanenitrile|Dtxsid2041464|111-94-4","logHenry":-6.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.337,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.587,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9949,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.5,"MP.Reference":"EPA-CCD-OPERA","MW":123.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-94-4"}
{"Compound":"Bis(2-methoxyethyl) ether","CAS":"111-96-6","CAS.Checksum":true,"DTXSID":"DTXSID1024621","Formula":"C6H14O3","All.Compound.Names":"Bis(2-methoxyethyl) ether|Diethylene glycol dimethyl ether|Dtxsid1024621","logHenry":-4.629,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3595,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.318,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8701,"logWSol.Reference":"EPA-CCD-OPERA","MP":-67.81,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-96-6"}
{"Compound":"3,3'-thiodipropionitrile","CAS":"111-97-7","CAS.Checksum":true,"DTXSID":"DTXSID9026899","Formula":"C6H8N2S","All.Compound.Names":"3,3'-thiodipropionitrile|Dtxsid9026899","logHenry":-6.983,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6193,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.872,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5763,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.13,"MP.Reference":"EPA-CCD-OPERA","MW":140.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-97-7"}
{"Compound":"Efonidipine","CAS":"111011-63-3","CAS.Checksum":true,"DTXSID":"DTXSID9043988","Formula":"C34H38N3O7P","All.Compound.Names":"Efonidipine|Dtxsid9043988|111011-63-3","logHenry":-7.481,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.372,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.302,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.942,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.4,"MP.Reference":"EPA-CCD-OPERA","MW":631.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111011-63-3"}
{"Compound":"Ammonium carbamate","CAS":"1111-78-0","CAS.Checksum":true,"DTXSID":"DTXSID9027360","Formula":"CH6N2O2","All.Compound.Names":"Ammonium carbamate|Dtxsid9027360|1111-78-0","logHenry":-8.41,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9694,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.807,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5793,"logWSol.Reference":"EPA-CCD-OPERA","MP":133,"MP.Reference":"EPA-CCD-OPERA","MW":78.07,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.66","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1111-78-0"}
{"Compound":"Di(propylene glycol) dimethyl ether","CAS":"111109-77-4","CAS.Checksum":true,"DTXSID":"DTXSID0042327","All.Compound.Names":"Di(propylene glycol) dimethyl ether|Dipropylene glycol dimethyl ether","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111109-77-4"}
{"Compound":"Dimethoxydimethylsilane","CAS":"1112-39-6","CAS.Checksum":true,"DTXSID":"DTXSID0042379","Formula":"C4H12O2Si","All.Compound.Names":"Dimethoxydimethylsilane|Dtxsid0042379","logHenry":-1.72,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.09,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1675,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.194,"logWSol.Reference":"EPA-CCD-OPERA","MP":-83.41,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1112-39-6"}
{"Compound":"Mepartricin","CAS":"11121-32-7","CAS.Checksum":true,"DTXSID":"DTXSID1045900","All.Compound.Names":"Mepartricin","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"11121-32-7"}
{"Compound":"Omethoate","CAS":"1113-02-6","CAS.Checksum":true,"DTXSID":"DTXSID4037580","Formula":"C5H12NO4PS","All.Compound.Names":"Omethoate|Dtxsid4037580|1113-02-6","logHenry":-8.688,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.738,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.328,"logWSol.Reference":"EPA-CCD-OPERA","MP":-27.87,"MP.Reference":"EPA-CCD-OPERA","MW":213.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1113-02-6"}
{"Compound":"Lestaurtinib","CAS":"111358-88-4","CAS.Checksum":true,"DTXSID":"DTXSID5046778","Formula":"C26H21N3O4","All.Compound.Names":"Lestaurtinib|Dtxsid5046778|111358-88-4","logHenry":-9.568,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.203,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.279,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.058,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.5,"MP.Reference":"EPA-CCD-OPERA","MW":439.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111358-88-4"}
{"Compound":"D-(-)-lyxose","CAS":"1114-34-7","CAS.Checksum":true,"DTXSID":"DTXSID7046540","Formula":"C5H10O5","All.Compound.Names":"D-(-)-lyxose|Dtxsid7046540|D-lyxose|1114-34-7","logHenry":-8.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.357,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.534,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4911,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.68,"MP.Reference":"EPA-CCD-OPERA","MW":150.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1114-34-7"}
{"Compound":"Amlodipine besylate","CAS":"111470-99-6","CAS.Checksum":true,"DTXSID":"DTXSID2043909","Formula":"C26H31ClN2O8S","All.Compound.Names":"Amlodipine besylate|Dtxsid2043909|111470-99-6","logHenry":-7.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7949,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.648,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.568,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.8,"MP.Reference":"EPA-CCD-OPERA","MW":567,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111470-99-6"}
{"Compound":"3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate","CAS":"1115-20-4","CAS.Checksum":true,"DTXSID":"DTXSID4027361","Formula":"C10H20O4","All.Compound.Names":"3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate|Dtxsid4027361|1115-20-4","logHenry":-7.946,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.445,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.395,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.49,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.4,"MP.Reference":"EPA-CCD-OPERA","MW":204.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1115-20-4"}
{"Compound":"N-nitrosodiethanolamine","CAS":"1116-54-7","CAS.Checksum":true,"DTXSID":"DTXSID7021027","Formula":"C4H10N2O3","All.Compound.Names":"N-nitrosodiethanolamine|Dtxsid7021027|1116-54-7","logHenry":-7.641,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.602,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.705,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8717,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.3,"MP.Reference":"EPA-CCD-OPERA","MW":134.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1116-54-7"}
{"Compound":"Remacemide hydrochloride","CAS":"111686-79-4","CAS.Checksum":true,"DTXSID":"DTXSID9045683","Formula":"C17H21ClN2O","All.Compound.Names":"Remacemide hydrochloride|Dtxsid9045683|111686-79-4","logHenry":-9.828,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3004,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.941,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.516,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.8,"MP.Reference":"EPA-CCD-OPERA","MW":304.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111686-79-4"}
{"Compound":"Cefetamet pivoxil hcl","CAS":"111696-23-2","CAS.Checksum":true,"DTXSID":"DTXSID1048590","Formula":"C20H26ClN5O7S2","All.Compound.Names":"Cefetamet pivoxil hcl|Dtxsid1048590|111696-23-2","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.232,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.456,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.517,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.7,"MP.Reference":"EPA-CCD-OPERA","MW":548,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111696-23-2"}
{"Compound":"Hexyl octanoate","CAS":"1117-55-1","CAS.Checksum":true,"DTXSID":"DTXSID8047636","Formula":"C14H28O2","All.Compound.Names":"Hexyl octanoate|Dtxsid8047636","logHenry":-3.826,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.722,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.527,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.082,"logWSol.Reference":"EPA-CCD-OPERA","MP":-30.02,"MP.Reference":"EPA-CCD-OPERA","MW":228.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1117-55-1"}
{"Compound":"1,2-octanediol","CAS":"1117-86-8","CAS.Checksum":true,"DTXSID":"DTXSID9036646","Formula":"C8H18O2","All.Compound.Names":"1,2-octanediol|Dtxsid9036646|1117-86-8","logHenry":-6.571,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.88,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.896,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8867,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.32,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1117-86-8"}
{"Compound":"(1,1-dimethylethyl)urea","CAS":"1118-12-3","CAS.Checksum":true,"DTXSID":"DTXSID0044365","Formula":"C5H12N2O","All.Compound.Names":"(1,1-dimethylethyl)urea|Dtxsid0044365|1118-12-3","logHenry":-7.088,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4886,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.232,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7304,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.15,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1118-12-3"}
{"Compound":"Linalyl isovalerate","CAS":"1118-27-0","CAS.Checksum":true,"DTXSID":"DTXSID5047160","Formula":"C15H26O2","All.Compound.Names":"Linalyl isovalerate|Dtxsid5047160","logHenry":-4.2,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.319,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.573,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.923,"logWSol.Reference":"EPA-CCD-OPERA","MP":-40.02,"MP.Reference":"EPA-CCD-OPERA","MW":238.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1118-27-0"}
{"Compound":"2-methyl-6-methylideneoct-7-en-2-yl acetate","CAS":"1118-39-4","CAS.Checksum":true,"DTXSID":"DTXSID4047416","Formula":"C12H20O2","All.Compound.Names":"2-methyl-6-methylideneoct-7-en-2-yl acetate|Dtxsid4047416","logHenry":-3.684,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.062,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.709,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.714,"logWSol.Reference":"EPA-CCD-OPERA","MP":-56.47,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1118-39-4"}
{"Compound":"Butyltin trichloride","CAS":"1118-46-3","CAS.Checksum":true,"DTXSID":"DTXSID0029210","Formula":"C4H9Cl3Sn","All.Compound.Names":"Butyltin trichloride","MW":282.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1118-46-3"}
{"Compound":"Dipivaloylmethane","CAS":"1118-71-4","CAS.Checksum":true,"DTXSID":"DTXSID7049396","Formula":"C11H20O2","All.Compound.Names":"Dipivaloylmethane|Dtxsid7049396","logHenry":-4.297,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.363,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.341,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.599,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.839,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1118-71-4"}
{"Compound":"N,n-dimethyloctanamide","CAS":"1118-92-9","CAS.Checksum":true,"DTXSID":"DTXSID9027364","Formula":"C10H21NO","All.Compound.Names":"N,n-dimethyloctanamide|Dtxsid9027364|1118-92-9","logHenry":-4.093,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.362,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.426,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.458,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.07942,"MP.Reference":"EPA-CCD-OPERA","MW":171.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1118-92-9"}
{"Compound":"3,3'-dithiodipropionic acid","CAS":"1119-62-6","CAS.Checksum":true,"DTXSID":"DTXSID0032998","Formula":"C6H10O4S2","All.Compound.Names":"3,3'-dithiodipropionic acid|Dtxsid0032998|1119-62-6","logHenry":-9.222,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8962,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1984,"logWSol.Reference":"EPA-CCD-OPERA","MP":229.8,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1119-62-6"}
{"Compound":"Dodecyltrimethylammonium bromide","CAS":"1119-94-4","CAS.Checksum":true,"DTXSID":"DTXSID5044366","Formula":"C15H34BrN","All.Compound.Names":"Dodecyltrimethylammonium bromide|Dtxsid5044366|1119-94-4","logHenry":-2.894,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2791,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.183,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.911,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.8,"MP.Reference":"EPA-CCD-OPERA","MW":308.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1119-94-4"}
{"Compound":"Tetradonium bromide","CAS":"1119-97-7","CAS.Checksum":true,"DTXSID":"DTXSID0044367","Formula":"C17H38BrN","All.Compound.Names":"Tetradonium bromide|Dtxsid0044367|1119-97-7","logHenry":-4.229,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2001,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.572,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.545,"logWSol.Reference":"EPA-CCD-OPERA","MP":247,"MP.Reference":"EPA-CCD-OPERA","MW":336.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1119-97-7"}
{"Compound":"1-hexadecanaminium, n,n,n-trimethyl-, chloride","CAS":"112-02-7","CAS.Checksum":true,"DTXSID":"DTXSID6026901","Formula":"C19H42ClN","All.Compound.Names":"1-hexadecanaminium, n,n,n-trimethyl-, chloride|Hexadecyl trimethyl ammonium chloride|Dtxsid6026901|112-02-7","logHenry":-5.262,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.01508,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.511,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.234,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.4,"MP.Reference":"EPA-CCD-OPERA","MW":320,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-02-7"}
{"Compound":"N,n,n-trimethyloctadecan-1-aminium chloride","CAS":"112-03-8","CAS.Checksum":true,"DTXSID":"DTXSID1026902","Formula":"C21H46ClN","All.Compound.Names":"N,n,n-trimethyloctadecan-1-aminium chloride|Dtxsid1026902|112-03-8","logHenry":-5.801,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.759,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.032,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.07,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.4,"MP.Reference":"EPA-CCD-OPERA","MW":348.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-03-8"}
{"Compound":"Nonanoic acid","CAS":"112-05-0","CAS.Checksum":true,"DTXSID":"DTXSID3021641","Formula":"C9H18O2","All.Compound.Names":"Nonanoic acid|Dtxsid3021641|112-05-0","logHenry":-5.772,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.42,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.361,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.747,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.52,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-05-0"}
{"Compound":"Heptyl acetate","CAS":"112-06-1","CAS.Checksum":true,"DTXSID":"DTXSID9047124","Formula":"C9H18O2","All.Compound.Names":"Heptyl acetate|Dtxsid9047124","logHenry":-3.224,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.459,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9939,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.043,"logWSol.Reference":"EPA-CCD-OPERA","MP":-51.54,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-06-1"}
{"Compound":"2-butoxyethyl acetate","CAS":"112-07-2","CAS.Checksum":true,"DTXSID":"DTXSID1026904","Formula":"C8H16O3","All.Compound.Names":"2-butoxyethyl acetate|Dtxsid1026904","logHenry":-5.259,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.008,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.309,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.258,"logWSol.Reference":"EPA-CCD-OPERA","MP":-62.9,"MP.Reference":"EPA-CCD-OPERA","MW":160.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-07-2"}
{"Compound":"2-undecanone","CAS":"112-12-9","CAS.Checksum":true,"DTXSID":"DTXSID2021943","Formula":"C11H22O","All.Compound.Names":"2-undecanone|Dtxsid2021943","logHenry":-4.195,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.09,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.704,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.959,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.14,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-12-9"}
{"Compound":"Octyl acetate","CAS":"112-14-1","CAS.Checksum":true,"DTXSID":"DTXSID8044202","Formula":"C10H20O2","All.Compound.Names":"Octyl acetate|Dtxsid8044202","logHenry":-3.621,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.079,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9839,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.493,"logWSol.Reference":"EPA-CCD-OPERA","MP":-40.51,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-14-1"}
{"Compound":"2-(2-ethoxyethoxy)ethyl acetate","CAS":"112-15-2","CAS.Checksum":true,"DTXSID":"DTXSID6026905","Formula":"C8H16O4","All.Compound.Names":"2-(2-ethoxyethoxy)ethyl acetate|Dtxsid6026905","logHenry":-4.339,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4548,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.403,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7413,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.01,"MP.Reference":"EPA-CCD-OPERA","MW":176.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-15-2"}
{"Compound":"Dodecanoyl chloride","CAS":"112-16-3","CAS.Checksum":true,"DTXSID":"DTXSID5044368","Formula":"C12H23ClO","All.Compound.Names":"Dodecanoyl chloride|Dtxsid5044368","logHenry":-3.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.542,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.716,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.242,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.01,"MP.Reference":"EPA-CCD-OPERA","MW":218.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-16-3"}
{"Compound":"Decyl acetate","CAS":"112-17-4","CAS.Checksum":true,"DTXSID":"DTXSID8047189","Formula":"C12H24O2","All.Compound.Names":"Decyl acetate|Dtxsid8047189","logHenry":-3.803,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.748,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.327,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.298,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.14,"MP.Reference":"EPA-CCD-OPERA","MW":200.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-17-4"}
{"Compound":"Triethylenetetramine","CAS":"112-24-3","CAS.Checksum":true,"DTXSID":"DTXSID9023702","Formula":"C6H18N4","All.Compound.Names":"Triethylenetetramine|N1,n2-bis(2-aminoethyl)-1,2-ethanediamine|112-24-3|Dtxsid9023702","logHenry":-10.42,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3694,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.281,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.512,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.03,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.925,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"112-24-3"}
{"Compound":"2-(hexyloxy)ethanol","CAS":"112-25-4","CAS.Checksum":true,"DTXSID":"DTXSID1026908","Formula":"C8H18O2","All.Compound.Names":"2-(hexyloxy)ethanol|2-hexyloxyethanol|Dtxsid1026908|112-25-4","logHenry":-4.929,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.859,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.441,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.168,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.98,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-25-4"}
{"Compound":"1,2-bis(2-chloroethoxy)ethane","CAS":"112-26-5","CAS.Checksum":true,"DTXSID":"DTXSID8047000","Formula":"C6H12Cl2O2","All.Compound.Names":"1,2-bis(2-chloroethoxy)ethane|Dtxsid8047000","logHenry":-4.357,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.067,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.927,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9944,"logWSol.Reference":"EPA-CCD-OPERA","MP":-31.5,"MP.Reference":"EPA-CCD-OPERA","MW":187.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-26-5"}
{"Compound":"Triethylene glycol","CAS":"112-27-6","CAS.Checksum":true,"DTXSID":"DTXSID4021393","Formula":"C6H14O4","All.Compound.Names":"Triethylene glycol|Dtxsid4021393|112-27-6","logHenry":-8.335,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.747,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.322,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8232,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.897,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-27-6"}
{"Compound":"1-bromodecane","CAS":"112-29-8","CAS.Checksum":true,"DTXSID":"DTXSID9051581","Formula":"C10H21Br","All.Compound.Names":"1-bromodecane|Dtxsid9051581","logHenry":-2.628,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.523,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2015,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.199,"logWSol.Reference":"EPA-CCD-OPERA","MP":-28.85,"MP.Reference":"EPA-CCD-OPERA","MW":221.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-29-8"}
{"Compound":"1-decanol","CAS":"112-30-1","CAS.Checksum":true,"DTXSID":"DTXSID7021946","Formula":"C10H22O","All.Compound.Names":"1-decanol|Dtxsid7021946|112-30-1","logHenry":-4.496,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.568,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.928,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.744,"logWSol.Reference":"EPA-CCD-OPERA","MP":7.344,"MP.Reference":"EPA-CCD-OPERA","MW":158.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-30-1"}
{"Compound":"Decanal","CAS":"112-31-2","CAS.Checksum":true,"DTXSID":"DTXSID4021553","Formula":"C10H20O","All.Compound.Names":"Decanal|Dtxsid4021553","logHenry":-2.747,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.588,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.493,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.008,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.687,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-31-2"}
{"Compound":"2-(2-butoxyethoxy)ethanol","CAS":"112-34-5","CAS.Checksum":true,"DTXSID":"DTXSID8021519","Formula":"C8H18O3","All.Compound.Names":"2-(2-butoxyethoxy)ethanol|Dtxsid8021519|112-34-5","logHenry":-8.143,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5602,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.659,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7891,"logWSol.Reference":"EPA-CCD-OPERA","MP":-67.74,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"42.2,23.5,75.8","Human.Caco2.Pab.Reference":"HondaUnpublished","Chemical.Class":"","_row":"112-34-5"}
{"Compound":"2-[2-(2-methoxyethoxy)ethoxy]ethanol","CAS":"112-35-6","CAS.Checksum":true,"DTXSID":"DTXSID5026912","Formula":"C7H16O4","All.Compound.Names":"2-[2-(2-methoxyethoxy)ethoxy]ethanol|Dtxsid5026912|112-35-6","logHenry":-7.764,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.0694,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.84,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7851,"logWSol.Reference":"EPA-CCD-OPERA","MP":-43.92,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-35-6"}
{"Compound":"Diethylene glycol diethyl ether","CAS":"112-36-7","CAS.Checksum":true,"DTXSID":"DTXSID3025047","Formula":"C8H18O3","All.Compound.Names":"Diethylene glycol diethyl ether|Dtxsid3025047","logHenry":-4.577,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3893,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.061,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7878,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.72,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-36-7"}
{"Compound":"Undecanoic acid","CAS":"112-37-8","CAS.Checksum":true,"DTXSID":"DTXSID8021690","Formula":"C11H22O2","All.Compound.Names":"Undecanoic acid|Dtxsid8021690|112-37-8","logHenry":-6.907,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.418,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.005,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.553,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.75,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-37-8"}
{"Compound":"10-undecenoic acid","CAS":"112-38-9","CAS.Checksum":true,"DTXSID":"DTXSID8035001","Formula":"C11H20O2","All.Compound.Names":"10-undecenoic acid|Dtxsid8035001|112-38-9","logHenry":-6.915,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.86,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.519,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.399,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.37,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-38-9"}
{"Compound":"Methyl hexadecanoate","CAS":"112-39-0","CAS.Checksum":true,"DTXSID":"DTXSID4029149","Formula":"C17H34O2","All.Compound.Names":"Methyl hexadecanoate|Dtxsid4029149","logHenry":-6.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.378,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.011,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.616,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.05,"MP.Reference":"EPA-CCD-OPERA","MW":270.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-39-0"}
{"Compound":"Dodecane","CAS":"112-40-3","CAS.Checksum":true,"DTXSID":"DTXSID0026913","Formula":"C12H26","All.Compound.Names":"Dodecane|Dtxsid0026913","logHenry":-0.8387,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.099,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2362,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.664,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.919,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-40-3"}
{"Compound":"1-dodecene","CAS":"112-41-4","CAS.Checksum":true,"DTXSID":"DTXSID5026914","Formula":"C12H24","All.Compound.Names":"1-dodecene|Dtxsid5026914","logHenry":-1.178,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.845,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1563,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.031,"logWSol.Reference":"EPA-CCD-OPERA","MP":-32.85,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-41-4"}
{"Compound":"1-undecanol","CAS":"112-42-5","CAS.Checksum":true,"DTXSID":"DTXSID0026915","Formula":"C11H24O","All.Compound.Names":"1-undecanol|Dtxsid0026915|112-42-5","logHenry":-4.717,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.424,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.337,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.763,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.92,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-42-5"}
{"Compound":"Undecanal","CAS":"112-44-7","CAS.Checksum":true,"DTXSID":"DTXSID4021688","Formula":"C11H22O","All.Compound.Names":"Undecanal|Dtxsid4021688","logHenry":-3.197,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.147,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.628,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.064,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.784,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-44-7"}
{"Compound":"Undec-10-enal","CAS":"112-45-8","CAS.Checksum":true,"DTXSID":"DTXSID3037757","Formula":"C11H20O","All.Compound.Names":"Undec-10-enal|10-undecen-1-al|Dtxsid3037757","logHenry":-3.187,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.112,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.768,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.997,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.6,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-45-8"}
{"Compound":"1-chlorododecane","CAS":"112-52-7","CAS.Checksum":true,"DTXSID":"DTXSID0025492","Formula":"C12H25Cl","All.Compound.Names":"1-chlorododecane|Dtxsid0025492","logHenry":-3.072,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.61,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.04851,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.464,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.317,"MP.Reference":"EPA-CCD-OPERA","MW":204.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-52-7"}
{"Compound":"1-dodecanol","CAS":"112-53-8","CAS.Checksum":true,"DTXSID":"DTXSID5026918","Formula":"C12H26O","All.Compound.Names":"1-dodecanol|Dtxsid5026918|112-53-8","logHenry":-4.654,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.129,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.404,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.747,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.08,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-53-8"}
{"Compound":"1-dodecanethiol","CAS":"112-55-0","CAS.Checksum":true,"DTXSID":"DTXSID6025220","Formula":"C12H26S","All.Compound.Names":"1-dodecanethiol|Dtxsid6025220|112-55-0","logHenry":-2.564,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.896,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.4131,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.466,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.964,"MP.Reference":"EPA-CCD-OPERA","MW":202.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-55-0"}
{"Compound":"2-(2-butoxyethoxy)ethyl thiocyanate","CAS":"112-56-1","CAS.Checksum":true,"DTXSID":"DTXSID6024674","Formula":"C9H17NO2S","All.Compound.Names":"2-(2-butoxyethoxy)ethyl thiocyanate|Dtxsid6024674","logHenry":-5.305,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.678,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.224,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.505,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.713,"MP.Reference":"EPA-CCD-OPERA","MW":203.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-56-1"}
{"Compound":"Tetraethylenepentamine","CAS":"112-57-2","CAS.Checksum":true,"DTXSID":"DTXSID7026108","Formula":"C8H23N5","All.Compound.Names":"Tetraethylenepentamine|Dtxsid7026108|112-57-2","logHenry":-10.1,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2622,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.703,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.537,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.9,"MP.Reference":"EPA-CCD-OPERA","MW":189.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-57-2"}
{"Compound":"2-[2-(hexyloxy)ethoxy]ethanol","CAS":"112-59-4","CAS.Checksum":true,"DTXSID":"DTXSID4026921","Formula":"C10H22O3","All.Compound.Names":"2-[2-(hexyloxy)ethoxy]ethanol|Dtxsid4026921|112-59-4","logHenry":-8.829,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.699,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.683,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.046,"logWSol.Reference":"EPA-CCD-OPERA","MP":-40.03,"MP.Reference":"EPA-CCD-OPERA","MW":190.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-59-4"}
{"Compound":"Tetraethylene glycol","CAS":"112-60-7","CAS.Checksum":true,"DTXSID":"DTXSID9026922","Formula":"C8H18O5","All.Compound.Names":"Tetraethylene glycol|Dtxsid9026922|112-60-7","logHenry":-8.642,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7581,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.686,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7119,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.189,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-60-7"}
{"Compound":"Methyl (9z)-octadec-9-enoate","CAS":"112-62-9","CAS.Checksum":true,"DTXSID":"DTXSID5025811","Formula":"C19H36O2","All.Compound.Names":"Methyl (9z)-octadec-9-enoate|Dtxsid5025811|Methyl (9e)-octadec-9-enoate","logHenry":-6.605,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.451,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.711,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.584,"logWSol.Reference":"EPA-CCD-OPERA","MP":-19.64,"MP.Reference":"EPA-CCD-OPERA","MW":296.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-62-9"}
{"Compound":"Methyl linoleate","CAS":"112-63-0","CAS.Checksum":true,"DTXSID":"DTXSID7020843","Formula":"C19H34O2","All.Compound.Names":"Methyl linoleate|Dtxsid7020843","logHenry":-6.506,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.821,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.029,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.488,"logWSol.Reference":"EPA-CCD-OPERA","MP":-34.81,"MP.Reference":"EPA-CCD-OPERA","MW":294.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-63-0"}
{"Compound":"Dodecyl acetate","CAS":"112-66-3","CAS.Checksum":true,"DTXSID":"DTXSID7047641","Formula":"C14H28O2","All.Compound.Names":"Dodecyl acetate|Dtxsid7047641","logHenry":-5.105,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.785,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.464,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.065,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.1476,"MP.Reference":"EPA-CCD-OPERA","MW":228.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-66-3"}
{"Compound":"1-hexadecanamine, n,n-dimethyl-","CAS":"112-69-6","CAS.Checksum":true,"DTXSID":"DTXSID9026924","Formula":"C18H39N","All.Compound.Names":"1-hexadecanamine, n,n-dimethyl-|N,n-dimethyl-1-hexadecanamine|Dtxsid9026924|112-69-6","logHenry":-6.235,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.819,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.801,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.611,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.415,"MP.Reference":"EPA-CCD-OPERA","MW":269.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-69-6"}
{"Compound":"1-tridecanol","CAS":"112-70-9","CAS.Checksum":true,"DTXSID":"DTXSID2021947","Formula":"C13H28O","All.Compound.Names":"1-tridecanol|Dtxsid2021947|112-70-9","logHenry":-4.684,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.446,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.362,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.197,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.43,"MP.Reference":"EPA-CCD-OPERA","MW":200.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-70-9"}
{"Compound":"1-bromotetradecane","CAS":"112-71-0","CAS.Checksum":true,"DTXSID":"DTXSID3038725","Formula":"C14H29Br","All.Compound.Names":"1-bromotetradecane|Dtxsid3038725","logHenry":-3.434,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.515,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1335,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.303,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.905,"MP.Reference":"EPA-CCD-OPERA","MW":277.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-71-0"}
{"Compound":"1-tetradecanol","CAS":"112-72-1","CAS.Checksum":true,"DTXSID":"DTXSID9026926","Formula":"C14H30O","All.Compound.Names":"1-tetradecanol|Dtxsid9026926|112-72-1","logHenry":-4.68,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.194,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.805,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.971,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.33,"MP.Reference":"EPA-CCD-OPERA","MW":214.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-72-1"}
{"Compound":"Diethylene glycol dibutyl ether","CAS":"112-73-2","CAS.Checksum":true,"DTXSID":"DTXSID8025046","Formula":"C12H26O3","All.Compound.Names":"Diethylene glycol dibutyl ether|Dtxsid8025046","logHenry":-4.99,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.921,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.905,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.864,"logWSol.Reference":"EPA-CCD-OPERA","MP":-59.91,"MP.Reference":"EPA-CCD-OPERA","MW":218.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-73-2"}
{"Compound":"N,n-dimethyltetradecylamine","CAS":"112-75-4","CAS.Checksum":true,"DTXSID":"DTXSID4026927","Formula":"C16H35N","All.Compound.Names":"N,n-dimethyltetradecylamine|Dimethyl(tetradecyl)amine|Dtxsid4026927|112-75-4","logHenry":-4.761,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.274,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.109,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.892,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.911,"MP.Reference":"EPA-CCD-OPERA","MW":241.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-75-4"}
{"Compound":"Oleic acid","CAS":"112-80-1","CAS.Checksum":true,"DTXSID":"DTXSID1025809","Formula":"C18H34O2","All.Compound.Names":"Oleic acid|Dtxsid1025809|112-80-1","logHenry":-7.218,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.639,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.973,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.362,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.05,"MP.Reference":"EPA-CCD-OPERA","MW":282.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-80-1"}
{"Compound":"Hexadecane,1-bromo-","CAS":"112-82-3","CAS.Checksum":true,"DTXSID":"DTXSID2049397","Formula":"C16H33Br","All.Compound.Names":"Hexadecane,1-bromo-|1-bromohexadecane|Dtxsid2049397","logHenry":-4.844,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.37,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2831,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.32,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.39,"MP.Reference":"EPA-CCD-OPERA","MW":305.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-82-3"}
{"Compound":"(13z)-docos-13-enoic acid","CAS":"112-86-7","CAS.Checksum":true,"DTXSID":"DTXSID8026931","Formula":"C22H42O2","All.Compound.Names":"(13z)-docos-13-enoic acid|Erucic acid|Dtxsid8026931|112-86-7","logHenry":-7.2,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.642,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.987,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.759,"logWSol.Reference":"EPA-CCD-OPERA","MP":33.69,"MP.Reference":"EPA-CCD-OPERA","MW":338.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-86-7"}
{"Compound":"1-octadecene","CAS":"112-88-9","CAS.Checksum":true,"DTXSID":"DTXSID3026932","Formula":"C18H36","All.Compound.Names":"1-octadecene|Dtxsid3026932","logHenry":-4.479,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.085,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.907,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.174,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.51,"MP.Reference":"EPA-CCD-OPERA","MW":252.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-88-9"}
{"Compound":"9-octadecen-1-amine, (9z)-","CAS":"112-90-3","CAS.Checksum":true,"DTXSID":"DTXSID8026933","Formula":"C18H37N","All.Compound.Names":"9-octadecen-1-amine, (9z)-|(z)-9-octadecenylamine|Dtxsid8026933|112-90-3","logHenry":-4.755,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.62,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.017,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.145,"logWSol.Reference":"EPA-CCD-OPERA","MP":243.6,"MP.Reference":"EPA-CCD-OPERA","MW":267.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-90-3"}
{"Compound":"1-octadecanol","CAS":"112-92-5","CAS.Checksum":true,"DTXSID":"DTXSID8026935","Formula":"C18H38O","All.Compound.Names":"1-octadecanol|Dtxsid8026935|112-92-5","logHenry":-5.227,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.906,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.019,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.387,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.45,"MP.Reference":"EPA-CCD-OPERA","MW":270.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-92-5"}
{"Compound":"Sodium hexyldecyl sulfate","CAS":"1120-01-0","CAS.Checksum":true,"DTXSID":"DTXSID0042400","Formula":"C16H33NaO4S","All.Compound.Names":"Sodium hexyldecyl sulfate|Dtxsid0042400|1120-01-0","logHenry":-6.719,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.157,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.146,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.657,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.9,"MP.Reference":"EPA-CCD-OPERA","MW":344.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1120-01-0"}
{"Compound":"Octadecyl sulfate sodium salt","CAS":"1120-04-3","CAS.Checksum":true,"DTXSID":"DTXSID6047103","Formula":"C18H37NaO4S","All.Compound.Names":"Octadecyl sulfate sodium salt|Dtxsid6047103|1120-04-3","logHenry":-7.117,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.71,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.01,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.549,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.8,"MP.Reference":"EPA-CCD-OPERA","MW":372.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1120-04-3"}
{"Compound":"Undecane","CAS":"1120-21-4","CAS.Checksum":true,"DTXSID":"DTXSID9021689","Formula":"C11H24","All.Compound.Names":"Undecane|Dtxsid9021689","logHenry":-0.832,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.537,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.531,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.557,"logWSol.Reference":"EPA-CCD-OPERA","MP":-24.48,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1120-21-4"}
{"Compound":"1-tetradecene","CAS":"1120-36-1","CAS.Checksum":true,"DTXSID":"DTXSID4027367","Formula":"C14H28","All.Compound.Names":"1-tetradecene|Dtxsid4027367","logHenry":-1.959,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.866,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3033,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.965,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.4,"MP.Reference":"EPA-CCD-OPERA","MW":196.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1120-36-1"}
{"Compound":"1,3-propane sultone","CAS":"1120-71-4","CAS.Checksum":true,"DTXSID":"DTXSID8021195","Formula":"C3H6O3S","All.Compound.Names":"1,3-propane sultone|Dtxsid8021195","logHenry":-3.602,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4682,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.72,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2248,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.42,"MP.Reference":"EPA-CCD-OPERA","MW":122.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1120-71-4"}
{"Compound":"4-chloropyridine 1-oxide","CAS":"1121-76-2","CAS.Checksum":true,"DTXSID":"DTXSID0041513","Formula":"C5H4ClNO","All.Compound.Names":"4-chloropyridine 1-oxide|Dtxsid0041513|1121-76-2","logHenry":-6.249,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4353,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.348,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5303,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.91,"MP.Reference":"EPA-CCD-OPERA","MW":129.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-1.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1121-76-2"}
{"Compound":"6-methyl-3-hydroxypyridine","CAS":"1121-78-4","CAS.Checksum":true,"DTXSID":"DTXSID4051580","Formula":"C6H7NO","All.Compound.Names":"6-methyl-3-hydroxypyridine|Dtxsid4051580|1121-78-4","logHenry":-6.728,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1227,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.612,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.344,"logWSol.Reference":"EPA-CCD-OPERA","MP":168,"MP.Reference":"EPA-CCD-OPERA","MW":109.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.67","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1121-78-4"}
{"Compound":"Heptamethyleneimine","CAS":"1121-92-2","CAS.Checksum":true,"DTXSID":"DTXSID2020680","Formula":"C7H15N","All.Compound.Names":"Heptamethyleneimine|Dtxsid2020680|1121-92-2","logHenry":-5.153,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.104,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.906,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.403,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.81,"MP.Reference":"EPA-CCD-OPERA","MW":113.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1121-92-2"}
{"Compound":"Ecopipam","CAS":"112108-01-7","CAS.Checksum":true,"DTXSID":"DTXSID8043814","Formula":"C19H20ClNO","All.Compound.Names":"Ecopipam|Dtxsid8043814|112108-01-7","logHenry":-9.091,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.254,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.63,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.116,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.4,"MP.Reference":"EPA-CCD-OPERA","MW":313.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112108-01-7"}
{"Compound":"Roxindole","CAS":"112192-04-8","CAS.Checksum":true,"DTXSID":"DTXSID5043895","Formula":"C23H26N2O","All.Compound.Names":"Roxindole|Dtxsid5043895|112192-04-8","logHenry":-8.126,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.723,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.834,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.209,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.1,"MP.Reference":"EPA-CCD-OPERA","MW":346.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.87","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112192-04-8"}
{"Compound":"N,n-dimethylpyridin-4-amine","CAS":"1122-58-3","CAS.Checksum":true,"DTXSID":"DTXSID0044369","Formula":"C7H10N2","All.Compound.Names":"N,n-dimethylpyridin-4-amine|Dtxsid0044369|1122-58-3","logHenry":-5.258,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.34,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.977,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2072,"logWSol.Reference":"EPA-CCD-OPERA","MP":112,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1122-58-3"}
{"Compound":"2-acetylpyridine","CAS":"1122-62-9","CAS.Checksum":true,"DTXSID":"DTXSID7024409","Formula":"C7H7NO","All.Compound.Names":"2-acetylpyridine|1-(2-pyridyl)-1-ethanone|Dtxsid7024409|1122-62-9","logHenry":-7.477,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8493,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.457,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7776,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.7,"MP.Reference":"EPA-CCD-OPERA","MW":121.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1122-62-9"}
{"Compound":"Halofenozide","CAS":"112226-61-6","CAS.Checksum":true,"DTXSID":"DTXSID4032619","Formula":"C18H19ClN2O2","All.Compound.Names":"Halofenozide|Dtxsid4032619|112226-61-6","logHenry":-9.044,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.233,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.41,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.435,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.3,"MP.Reference":"EPA-CCD-OPERA","MW":330.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112226-61-6"}
{"Compound":"2-phenylpropan-1-ol","CAS":"1123-85-9","CAS.Checksum":true,"DTXSID":"DTXSID8037756","Formula":"C9H12O","All.Compound.Names":"2-phenylpropan-1-ol|Dtxsid8037756|1123-85-9","logHenry":-6.209,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.162,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.399,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.035,"logWSol.Reference":"EPA-CCD-OPERA","MP":-12.06,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1123-85-9"}
{"Compound":"Danofloxacin","CAS":"112398-08-0","CAS.Checksum":true,"DTXSID":"DTXSID0046432","Formula":"C19H20FN3O3","All.Compound.Names":"Danofloxacin|Dtxsid0046432|112398-08-0","logHenry":-8.53,"logHenry.Reference":"OPERA29","logP":1.05,"logP.Reference":"OPERA29","logWSol":-0.39,"logWSol.Reference":"OPERA29","MP":213,"MP.Reference":"OPERA29","MW":357.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112398-08-0"}
{"Compound":"2-chloro-4,5-dimethylphenol","CAS":"1124-04-5","CAS.Checksum":true,"DTXSID":"DTXSID8041404","Formula":"C8H9ClO","All.Compound.Names":"2-chloro-4,5-dimethylphenol|Dtxsid8041404|1124-04-5","logHenry":-5.676,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.313,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.308,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.009,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.38,"MP.Reference":"EPA-CCD-OPERA","MW":156.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1124-04-5"}
{"Compound":"1,4-dichloro-2,5-dimethylbenzene","CAS":"1124-05-6","CAS.Checksum":true,"DTXSID":"DTXSID5044780","Formula":"C8H8Cl2","All.Compound.Names":"1,4-dichloro-2,5-dimethylbenzene|Dtxsid5044780","logHenry":-2.744,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.853,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.412,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.617,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.72,"MP.Reference":"EPA-CCD-OPERA","MW":175,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1124-05-6"}
{"Compound":"Tetramethylpyrazine","CAS":"1124-11-4","CAS.Checksum":true,"DTXSID":"DTXSID6047070","Formula":"C8H12N2","All.Compound.Names":"Tetramethylpyrazine|Dtxsid6047070|1124-11-4","logHenry":-4.724,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.281,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.458,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.292,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.68,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1124-11-4"}
{"Compound":"4-nitropyridine-1-oxide","CAS":"1124-33-0","CAS.Checksum":true,"DTXSID":"DTXSID9041524","Formula":"C5H4N2O3","All.Compound.Names":"4-nitropyridine-1-oxide|Dtxsid9041524|1124-33-0","logHenry":-6.222,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5487,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.704,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.634,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.4,"MP.Reference":"EPA-CCD-OPERA","MW":140.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1124-33-0"}
{"Compound":"3-cyclohexylpropan-1-ol","CAS":"1124-63-6","CAS.Checksum":true,"DTXSID":"DTXSID0047244","Formula":"C9H18O","All.Compound.Names":"3-cyclohexylpropan-1-ol|Dtxsid0047244|1124-63-6","logHenry":-4.808,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.333,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.808,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.533,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.555,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1124-63-6"}
{"Compound":"N-butylpyridinium chloride","CAS":"1124-64-7","CAS.Checksum":true,"DTXSID":"DTXSID1031462","Formula":"C9H14ClN","All.Compound.Names":"N-butylpyridinium chloride|Dtxsid1031462|1124-64-7","logHenry":-2.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9694,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.831,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.761,"logWSol.Reference":"EPA-CCD-OPERA","MP":177,"MP.Reference":"EPA-CCD-OPERA","MW":171.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1124-64-7"}
{"Compound":"1-butyl-2-methylpyridinium chloride","CAS":"112400-85-8","CAS.Checksum":true,"DTXSID":"DTXSID8049204","Formula":"C10H16ClN","All.Compound.Names":"1-butyl-2-methylpyridinium chloride|Dtxsid8049204|112400-85-8","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7414,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.234,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":177,"MP.Reference":"EPA-CCD-OPERA","MW":185.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112400-85-8"}
{"Compound":"1-butyl-4-methylpyridinium chloride","CAS":"112400-86-9","CAS.Checksum":true,"DTXSID":"DTXSID3049205","Formula":"C10H16ClN","All.Compound.Names":"1-butyl-4-methylpyridinium chloride|Dtxsid3049205|112400-86-9","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8098,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.303,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.9,"MP.Reference":"EPA-CCD-OPERA","MW":185.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112400-86-9"}
{"Compound":"2,6,6-trimethyl-2-cyclohexene-1,4-dione","CAS":"1125-21-9","CAS.Checksum":true,"DTXSID":"DTXSID9021685","Formula":"C9H12O2","All.Compound.Names":"2,6,6-trimethyl-2-cyclohexene-1,4-dione|Dtxsid9021685","logHenry":-4.729,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.05,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.02,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8102,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.61,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1125-21-9"}
{"Compound":"N-butylaniline","CAS":"1126-78-9","CAS.Checksum":true,"DTXSID":"DTXSID9044370","Formula":"C10H15N","All.Compound.Names":"N-butylaniline|Dtxsid9044370|1126-78-9","logHenry":-5.605,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.577,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.136,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.224,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.51,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1126-78-9"}
{"Compound":"(+-)-7-(3,5,6-trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acid","CAS":"112665-43-7","CAS.Checksum":true,"DTXSID":"DTXSID4021397","Formula":"C22H26O4","All.Compound.Names":"(+-)-7-(3,5,6-trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acid|Dtxsid4021397|112665-43-7","logHenry":-4.962,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.996,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.405,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.365,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.2,"MP.Reference":"EPA-CCD-OPERA","MW":354.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112665-43-7"}
{"Compound":"Mosapride citrate","CAS":"112885-42-4","CAS.Checksum":true,"DTXSID":"DTXSID7046207","Formula":"C27H33ClFN3O10","All.Compound.Names":"Mosapride citrate|Dtxsid7046207|112885-42-4","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8372,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.753,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.778,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.7,"MP.Reference":"EPA-CCD-OPERA","MW":614,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112885-42-4"}
{"Compound":"Calcipotriene","CAS":"112965-21-6","CAS.Checksum":true,"DTXSID":"DTXSID0046648","Formula":"C27H40O3","All.Compound.Names":"Calcipotriene|112965-21-6|Dtxsid0046648","logHenry":-7.751,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.416,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.956,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.887,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.6,"MP.Reference":"EPA-CCD-OPERA","MW":412.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.055,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"112965-21-6"}
{"Compound":"Ulifloxacin","CAS":"112984-60-8","CAS.Checksum":true,"DTXSID":"DTXSID0057621","Formula":"C16H16FN3O3S","All.Compound.Names":"Ulifloxacin|Dtxsid0057621|112984-60-8","logHenry":-10.57,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.066,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.424,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.465,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.8,"MP.Reference":"EPA-CCD-OPERA","MW":349.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112984-60-8"}
{"Compound":"Doxapram hydrochloride","CAS":"113-07-5","CAS.Checksum":true,"DTXSID":"DTXSID9047837","Formula":"C24H31ClN2O2","All.Compound.Names":"Doxapram hydrochloride|Dtxsid9047837|113-07-5","logHenry":-6.95,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.872,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.82,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.096,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.8,"MP.Reference":"EPA-CCD-OPERA","MW":415,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"113-07-5"}
{"Compound":"Ethchlorvynol","CAS":"113-18-8","CAS.Checksum":true,"DTXSID":"DTXSID2023010","Formula":"C7H9ClO","All.Compound.Names":"Ethchlorvynol|Dtxsid2023010|113-18-8","logHenry":-5.675,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.602,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.319,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6949,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.697,"MP.Reference":"EPA-CCD-OPERA","MW":144.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"113-18-8"}
{"Compound":"Sodium pyruvate","CAS":"113-24-6","CAS.Checksum":true,"DTXSID":"DTXSID6040614","Formula":"C3H3NaO3","All.Compound.Names":"Sodium pyruvate|Dtxsid6040614|113-24-6","logHenry":-8.489,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9872,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.082,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.053,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.2,"MP.Reference":"EPA-CCD-OPERA","MW":110,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"113-24-6"}
{"Compound":"Estradiol dipropionate","CAS":"113-38-2","CAS.Checksum":true,"DTXSID":"DTXSID8023000","Formula":"C24H32O4","All.Compound.Names":"Estradiol dipropionate|Dtxsid8023000","logHenry":-6.697,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.688,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.033,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.527,"logWSol.Reference":"EPA-CCD-OPERA","MP":127.7,"MP.Reference":"EPA-CCD-OPERA","MW":384.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"113-38-2"}
{"Compound":"Imipramine hydrochloride","CAS":"113-52-0","CAS.Checksum":true,"DTXSID":"DTXSID7040738","Formula":"C19H25ClN2","All.Compound.Names":"Imipramine hydrochloride|Dtxsid7040738|113-52-0","logHenry":-5.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.132,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.118,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.086,"logWSol.Reference":"EPA-CCD-OPERA","MP":174,"MP.Reference":"EPA-CCD-OPERA","MW":316.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"113-52-0"}
{"Compound":"Gramicidin s","CAS":"113-73-5","CAS.Checksum":true,"DTXSID":"DTXSID6046008","Formula":"C60H92N12O10","All.Compound.Names":"Gramicidin s|Dtxsid6046008|113-73-5","logHenry":-10.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.835,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.789,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.779,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.6,"MP.Reference":"EPA-CCD-OPERA","MW":1141,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"113-73-5"}
{"Compound":"Argipressin","CAS":"113-79-1","CAS.Checksum":true,"DTXSID":"DTXSID0048349","Formula":"C46H65N15O12S2","All.Compound.Names":"Argipressin|Vasopressin tannate|Dtxsid0048349|113-79-1","logHenry":-10.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.042,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.595,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.871,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.6,"MP.Reference":"EPA-CCD-OPERA","MW":1084,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"113-79-1"}
{"Compound":"Chlorpheniramine maleate","CAS":"113-92-8","CAS.Checksum":true,"DTXSID":"DTXSID4020321","Formula":"C20H23ClN2O4","All.Compound.Names":"Chlorpheniramine maleate|Dtxsid4020321|113-92-8","logHenry":-4.974,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.674,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.109,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.5,"MP.Reference":"EPA-CCD-OPERA","MW":390.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"113-92-8"}
{"Compound":"Penicillin g potassium","CAS":"113-98-4","CAS.Checksum":true,"DTXSID":"DTXSID7045106","Formula":"C16H17KN2O4S","All.Compound.Names":"Penicillin g potassium|Dtxsid7045106|113-98-4","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6076,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.476,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.4,"MP.Reference":"EPA-CCD-OPERA","MW":372.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"113-98-4"}
{"Compound":"3-methyl-1-phenyl-1h-pyrazol-5-amine","CAS":"1131-18-6","CAS.Checksum":true,"DTXSID":"DTXSID6044517","Formula":"C10H11N3","All.Compound.Names":"3-methyl-1-phenyl-1h-pyrazol-5-amine|Dtxsid6044517|1131-18-6","logHenry":-7.452,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.591,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.499,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9408,"logWSol.Reference":"EPA-CCD-OPERA","MP":116,"MP.Reference":"EPA-CCD-OPERA","MW":173.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1131-18-6"}
{"Compound":"4-morpholinepropanesulfonic acid","CAS":"1132-61-2","CAS.Checksum":true,"DTXSID":"DTXSID4044371","Formula":"C7H15NO4S","All.Compound.Names":"4-morpholinepropanesulfonic acid|Dtxsid4044371|1132-61-2","logHenry":-7.231,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6769,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.203,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2533,"logWSol.Reference":"EPA-CCD-OPERA","MP":283.8,"MP.Reference":"EPA-CCD-OPERA","MW":209.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1132-61-2"}
{"Compound":"2,3,4,5-tetrachloro-6-(trichloromethyl)pyridine","CAS":"1134-04-9","CAS.Checksum":true,"DTXSID":"DTXSID0044781","Formula":"C6Cl7N","All.Compound.Names":"2,3,4,5-tetrachloro-6-(trichloromethyl)pyridine|Dtxsid0044781|1134-04-9","logHenry":-2.905,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.035,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.378,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.922,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.97,"MP.Reference":"EPA-CCD-OPERA","MW":334.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1134-04-9"}
{"Compound":"(-)-isolongifolene","CAS":"1135-66-6","CAS.Checksum":true,"DTXSID":"DTXSID1044518","Formula":"C15H24","All.Compound.Names":"(-)-isolongifolene|Dtxsid1044518","logHenry":-2.257,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.846,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.876,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.915,"logWSol.Reference":"EPA-CCD-OPERA","MP":7.518,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1135-66-6"}
{"Compound":"Moxidectin","CAS":"113507-06-5","CAS.Checksum":true,"DTXSID":"DTXSID5037577","Formula":"C37H53NO8","All.Compound.Names":"Moxidectin|Dtxsid5037577|113507-06-5","logHenry":-8.74,"logHenry.Reference":"OPERA29","logP":4.5,"logP.Reference":"OPERA29","logWSol":-5.35,"logWSol.Reference":"OPERA29","MP":150,"MP.Reference":"OPERA29","MW":639.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"113507-06-5"}
{"Compound":"Altanserin hydrochloride","CAS":"1135280-78-2","CAS.Checksum":true,"DTXSID":"DTXSID9042592","Formula":"C22H23ClFN3O2S","All.Compound.Names":"Altanserin hydrochloride|Dtxsid9042592|1135280-78-2","logHenry":-8.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.747,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.493,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.259,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.7,"MP.Reference":"EPA-CCD-OPERA","MW":448,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1135280-78-2"}
{"Compound":"Orbifloxacin","CAS":"113617-63-3","CAS.Checksum":true,"DTXSID":"DTXSID7046201","Formula":"C19H20F3N3O3","All.Compound.Names":"Orbifloxacin|Dtxsid7046201|113617-63-3","logHenry":-12.17,"logHenry.Reference":"OPERA29","logP":1.75,"logP.Reference":"OPERA29","logWSol":-2.82,"logWSol.Reference":"OPERA29","MP":259,"MP.Reference":"OPERA29","MW":395.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.07","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"113617-63-3"}
{"Compound":"4-hydroxybenzophenone","CAS":"1137-42-4","CAS.Checksum":true,"DTXSID":"DTXSID5036684","Formula":"C13H10O2","All.Compound.Names":"4-hydroxybenzophenone|Dtxsid5036684|1137-42-4","logHenry":-9.067,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.071,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.858,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.465,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.8,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1137-42-4"}
{"Compound":"Tenatoprazole","CAS":"113712-98-4","CAS.Checksum":true,"DTXSID":"DTXSID1046687","Formula":"C16H18N4O3S","All.Compound.Names":"Tenatoprazole|Dtxsid1046687|113712-98-4","logHenry":-5.806,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.796,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.485,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.059,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.7,"MP.Reference":"EPA-CCD-OPERA","MW":346.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"113712-98-4"}
{"Compound":"Cp-114271","CAS":"113734-18-2","CAS.Checksum":true,"DTXSID":"DTXSID2047274","Formula":"C17H19F3N2O4S","All.Compound.Names":"Cp-114271|Dtxsid2047274|113734-18-2","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.04,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.227,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.931,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.4,"MP.Reference":"EPA-CCD-OPERA","MW":404.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.67","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"113734-18-2"}
{"Compound":"(-)carophyllene oxide","CAS":"1139-30-6","CAS.Checksum":true,"DTXSID":"DTXSID4051586","Formula":"C15H24O","All.Compound.Names":"(-)carophyllene oxide|Dtxsid4051586","logHenry":-3.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.092,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.784,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.507,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.23,"MP.Reference":"EPA-CCD-OPERA","MW":220.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1139-30-6"}
{"Compound":"Cefozopran hydrochloride","CAS":"113981-44-5","CAS.Checksum":true,"DTXSID":"DTXSID1048592","Formula":"C19H18ClN9O5S2","All.Compound.Names":"Cefozopran hydrochloride|Dtxsid1048592|113981-44-5","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2065,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.93,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.112,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.3,"MP.Reference":"EPA-CCD-OPERA","MW":552,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"113981-44-5"}
{"Compound":"Scopolamine hydrobromide","CAS":"114-49-8","CAS.Checksum":true,"DTXSID":"DTXSID0032029","Formula":"C17H22BrNO4","All.Compound.Names":"Scopolamine hydrobromide|Dtxsid0032029|114-49-8","logHenry":-9.308,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.581,"logP.Reference":"EPA-CCD-OPERA","logPwa":13.35,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4901,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.5,"MP.Reference":"EPA-CCD-OPERA","MW":384.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"114-49-8"}
{"Compound":"Neostigmine bromide","CAS":"114-80-7","CAS.Checksum":true,"DTXSID":"DTXSID9041075","Formula":"C12H19BrN2O2","All.Compound.Names":"Neostigmine bromide|Dtxsid9041075|114-80-7","logHenry":-4.122,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.152,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.056,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.924,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.9,"MP.Reference":"EPA-CCD-OPERA","MW":303.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"114-80-7"}
{"Compound":"1-acetyl-2-phenylhydrazine","CAS":"114-83-0","CAS.Checksum":true,"DTXSID":"DTXSID1020015","Formula":"C8H10N2O","All.Compound.Names":"1-acetyl-2-phenylhydrazine|Dtxsid1020015|114-83-0","logHenry":-8.331,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.402,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.438,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.265,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.5,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"114-83-0"}
{"Compound":"Bethanidine sulfate","CAS":"114-85-2","CAS.Checksum":true,"DTXSID":"DTXSID7048748","Formula":"C20H32N6O4S","All.Compound.Names":"Bethanidine sulfate|Bethanidine sulfate (2:1)|Dtxsid7048748|114-85-2","logHenry":-8.633,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4851,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.362,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.657,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.7,"MP.Reference":"EPA-CCD-OPERA","MW":452.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"114-85-2"}
{"Compound":"Metyridine","CAS":"114-91-0","CAS.Checksum":true,"DTXSID":"DTXSID5057624","Formula":"C8H11NO","All.Compound.Names":"Metyridine|Dtxsid5057624|114-91-0","logHenry":-4.817,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.076,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.503,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.271,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.96,"MP.Reference":"EPA-CCD-OPERA","MW":137.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"114-91-0"}
{"Compound":"2,6-naphthalenedicarboxylic acid","CAS":"1141-38-4","CAS.Checksum":true,"DTXSID":"DTXSID5029211","Formula":"C12H8O4","All.Compound.Names":"2,6-naphthalenedicarboxylic acid|Dtxsid5029211|1141-38-4","logHenry":-9.222,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.106,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.244,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.155,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.5,"MP.Reference":"EPA-CCD-OPERA","MW":216.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1141-38-4"}
{"Compound":"Eprinomectin (b1a, b1b mixture)","CAS":"1142337-10-7","CAS.Checksum":true,"DTXSID":"DTXSID5048683","All.Compound.Names":"Eprinomectin (b1a, b1b mixture)","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1142337-10-7"}
{"Compound":"Anthralin","CAS":"1143-38-0","CAS.Checksum":true,"DTXSID":"DTXSID7024538","Formula":"C14H10O3","All.Compound.Names":"Anthralin|Dtxsid7024538|1143-38-0","logHenry":-9.594,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.186,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.219,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.807,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.1,"MP.Reference":"EPA-CCD-OPERA","MW":226.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1143-38-0"}
{"Compound":"Alilusem potassium","CAS":"114417-20-8","CAS.Checksum":true,"DTXSID":"DTXSID9048807","Formula":"C17H14ClKN2O5S","All.Compound.Names":"Alilusem potassium|Dtxsid9048807|114417-20-8","logHenry":-9.346,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1614,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.54,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.815,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.4,"MP.Reference":"EPA-CCD-OPERA","MW":432.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"114417-20-8"}
{"Compound":"1-dodecyl-3-methylimidazolium chloride","CAS":"114569-84-5","CAS.Checksum":true,"DTXSID":"DTXSID9047918","Formula":"C16H31ClN2","All.Compound.Names":"1-dodecyl-3-methylimidazolium chloride|Dtxsid9047918|114569-84-5","logHenry":-5.592,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5764,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.379,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.408,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.6,"MP.Reference":"EPA-CCD-OPERA","MW":286.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"114569-84-5"}
{"Compound":"Etifelmine hydrochloride","CAS":"1146-95-8","CAS.Checksum":true,"DTXSID":"DTXSID5057622","Formula":"C17H20ClN","All.Compound.Names":"Etifelmine hydrochloride|Dtxsid5057622|1146-95-8","logHenry":-6.399,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2971,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.73,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.538,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.8,"MP.Reference":"EPA-CCD-OPERA","MW":273.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1146-95-8"}
{"Compound":"Bromindione","CAS":"1146-98-1","CAS.Checksum":true,"DTXSID":"DTXSID8046244","Formula":"C15H9BrO2","All.Compound.Names":"Bromindione|Dtxsid8046244","logHenry":-7.252,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.759,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.929,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.703,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.9,"MP.Reference":"EPA-CCD-OPERA","MW":301.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1146-98-1"}
{"Compound":"Clorindione","CAS":"1146-99-2","CAS.Checksum":true,"DTXSID":"DTXSID0046228","Formula":"C15H9ClO2","All.Compound.Names":"Clorindione|Dtxsid0046228","logHenry":-7.237,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.61,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.232,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.13,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.4,"MP.Reference":"EPA-CCD-OPERA","MW":256.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1146-99-2"}
{"Compound":"Acitazanolast","CAS":"114607-46-4","CAS.Checksum":true,"DTXSID":"DTXSID3048732","Formula":"C9H7N5O3","All.Compound.Names":"Acitazanolast|Dtxsid3048732|114607-46-4","logHenry":-9.476,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6941,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.84,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.734,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.3,"MP.Reference":"EPA-CCD-OPERA","MW":233.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"114607-46-4"}
{"Compound":"Cyclohexanemethanol, 4-[(ethenyloxy)methyl]-","CAS":"114651-37-5","CAS.Checksum":true,"DTXSID":"DTXSID8029575","Formula":"C10H18O2","All.Compound.Names":"Cyclohexanemethanol, 4-[(ethenyloxy)methyl]-|{4-[(ethenyloxy)methyl]cyclohexyl}methanol|Dtxsid8029575|114651-37-5","logHenry":-5.691,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.077,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.638,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9806,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.01,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"114651-37-5"}
{"Compound":"4'-methylbiphenyl-2-carbonitrile","CAS":"114772-53-1","CAS.Checksum":true,"DTXSID":"DTXSID0057623","Formula":"C14H11N","All.Compound.Names":"4'-methylbiphenyl-2-carbonitrile|Dtxsid0057623","logHenry":-3.947,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.291,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.092,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.74,"MP.Reference":"EPA-CCD-OPERA","MW":193.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"114772-53-1"}
{"Compound":"Oberadilol","CAS":"114856-44-9","CAS.Checksum":true,"DTXSID":"DTXSID2048745","Formula":"C25H30ClN5O3","All.Compound.Names":"Oberadilol|Dtxsid2048745|114856-44-9","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.291,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.14,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.278,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.1,"MP.Reference":"EPA-CCD-OPERA","MW":484,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"114856-44-9"}
{"Compound":"Azaserine","CAS":"115-02-6","CAS.Checksum":true,"DTXSID":"DTXSID9020118","Formula":"C5H7N3O4","All.Compound.Names":"Azaserine|Dtxsid9020118|115-02-6","logHenry":-8.203,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.999,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.596,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3541,"logWSol.Reference":"EPA-CCD-OPERA","MP":154,"MP.Reference":"EPA-CCD-OPERA","MW":173.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.53","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-02-6"}
{"Compound":"Methylmercuric(ii) chloride","CAS":"115-09-3","CAS.Checksum":true,"DTXSID":"DTXSID5020813","Formula":"CH3ClHg","All.Compound.Names":"Methylmercuric(ii) chloride","MW":251.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-09-3"}
{"Compound":"Tribromoacetaldehyde","CAS":"115-17-3","CAS.Checksum":true,"DTXSID":"DTXSID1021667","Formula":"C2HBr3O","All.Compound.Names":"Tribromoacetaldehyde|Dtxsid1021667","logHenry":-5.475,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.02,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.443,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.544,"logWSol.Reference":"EPA-CCD-OPERA","MP":-57.25,"MP.Reference":"EPA-CCD-OPERA","MW":280.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-17-3"}
{"Compound":"2-methyl-3-buten-2-ol","CAS":"115-18-4","CAS.Checksum":true,"DTXSID":"DTXSID3047471","Formula":"C5H10O","All.Compound.Names":"2-methyl-3-buten-2-ol|Dtxsid3047471|115-18-4","logHenry":-4.686,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8106,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.231,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.059,"logWSol.Reference":"EPA-CCD-OPERA","MP":-28.06,"MP.Reference":"EPA-CCD-OPERA","MW":86.13,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-18-4"}
{"Compound":"2-methyl-3-butyn-2-ol","CAS":"115-19-5","CAS.Checksum":true,"DTXSID":"DTXSID2021949","Formula":"C5H8O","All.Compound.Names":"2-methyl-3-butyn-2-ol|Dtxsid2021949|115-19-5","logHenry":-5.403,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2807,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.504,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.074,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.769,"MP.Reference":"EPA-CCD-OPERA","MW":84.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-19-5"}
{"Compound":"Sulfonmethane","CAS":"115-24-2","CAS.Checksum":true,"DTXSID":"DTXSID3048574","Formula":"C7H16O4S2","All.Compound.Names":"Sulfonmethane|Dtxsid3048574","logHenry":-5.958,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.437,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.309,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.655,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.6,"MP.Reference":"EPA-CCD-OPERA","MW":228.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-24-2"}
{"Compound":"Chlorendic anhydride","CAS":"115-27-5","CAS.Checksum":true,"DTXSID":"DTXSID2026941","Formula":"C9H2Cl6O3","All.Compound.Names":"Chlorendic anhydride|Dtxsid2026941","logHenry":-3.64,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.827,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.334,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.254,"logWSol.Reference":"EPA-CCD-OPERA","MP":232.9,"MP.Reference":"EPA-CCD-OPERA","MW":370.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-27-5"}
{"Compound":"Chlorendic acid","CAS":"115-28-6","CAS.Checksum":true,"DTXSID":"DTXSID2020268","Formula":"C9H4Cl6O4","All.Compound.Names":"Chlorendic acid|Dtxsid2020268|115-28-6","logHenry":-10.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.152,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.038,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.047,"logWSol.Reference":"EPA-CCD-OPERA","MP":209,"MP.Reference":"EPA-CCD-OPERA","MW":388.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-28-6"}
{"Compound":"Thanite","CAS":"115-31-1","CAS.Checksum":true,"DTXSID":"DTXSID4040266","Formula":"C13H19NO2S","All.Compound.Names":"Thanite|Dtxsid4040266","logHenry":-7.828,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.089,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.324,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.993,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.58,"MP.Reference":"EPA-CCD-OPERA","MW":253.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-31-1"}
{"Compound":"Oxyphenisatin acetate","CAS":"115-33-3","CAS.Checksum":true,"DTXSID":"DTXSID9023411","Formula":"C24H19NO5","All.Compound.Names":"Oxyphenisatin acetate|Dtxsid9023411|115-33-3","logHenry":-9.009,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.953,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.308,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.781,"logWSol.Reference":"EPA-CCD-OPERA","MP":241.9,"MP.Reference":"EPA-CCD-OPERA","MW":401.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-33-3"}
{"Compound":"Thebaine","CAS":"115-37-7","CAS.Checksum":true,"DTXSID":"DTXSID7046099","Formula":"C19H21NO3","All.Compound.Names":"Thebaine|Dtxsid7046099|115-37-7","logHenry":-7.982,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.517,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.128,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.661,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.8,"MP.Reference":"EPA-CCD-OPERA","MW":311.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-37-7"}
{"Compound":"Mephobarbital","CAS":"115-38-8","CAS.Checksum":true,"DTXSID":"DTXSID4023258","Formula":"C13H14N2O3","All.Compound.Names":"Mephobarbital|115-38-8|Dtxsid4023258","logHenry":-7.844,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.84,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.951,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.418,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.8,"MP.Reference":"EPA-CCD-OPERA","MW":246.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"40.7,18.1,91.8","Human.Caco2.Pab.Reference":"Lanevskij","Human.Foral":0.73,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"115-38-8"}
{"Compound":"Talbutal","CAS":"115-44-6","CAS.Checksum":true,"DTXSID":"DTXSID8023630","Formula":"C11H16N2O3","All.Compound.Names":"Talbutal|Dtxsid8023630|115-44-6","logHenry":-8.448,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.471,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.666,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.023,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.5,"MP.Reference":"EPA-CCD-OPERA","MW":224.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-44-6"}
{"Compound":"Azacyclonol","CAS":"115-46-8","CAS.Checksum":true,"DTXSID":"DTXSID2045280","Formula":"C18H21NO","All.Compound.Names":"Azacyclonol|Dtxsid2045280|115-46-8","logHenry":-6.255,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.862,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.229,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.677,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.4,"MP.Reference":"EPA-CCD-OPERA","MW":267.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-46-8"}
{"Compound":"Hexocyclium","CAS":"115-63-9","CAS.Checksum":true,"DTXSID":"DTXSID4023123","Formula":"C21H36N2O5S","All.Compound.Names":"Hexocyclium|Hexocyclium metilsulfate|Dtxsid4023123|115-63-9","logHenry":-6.521,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4797,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.76,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.09,"logWSol.Reference":"EPA-CCD-OPERA","MP":205,"MP.Reference":"EPA-CCD-OPERA","MW":428.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-63-9"}
{"Compound":"2-amino-2-ethyl-1,3-propanediol","CAS":"115-70-8","CAS.Checksum":true,"DTXSID":"DTXSID3029150","Formula":"C5H13NO2","All.Compound.Names":"2-amino-2-ethyl-1,3-propanediol|Dtxsid3029150|115-70-8","logHenry":-7.861,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.449,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.706,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9239,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.55,"MP.Reference":"EPA-CCD-OPERA","MW":119.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-70-8"}
{"Compound":"Pentaerythritol","CAS":"115-77-5","CAS.Checksum":true,"DTXSID":"DTXSID2026943","Formula":"C5H12O4","All.Compound.Names":"Pentaerythritol|Dtxsid2026943|115-77-5","logHenry":-8,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.691,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.867,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3289,"logWSol.Reference":"EPA-CCD-OPERA","MP":259.7,"MP.Reference":"EPA-CCD-OPERA","MW":136.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-77-5"}
{"Compound":"Ambenonium chloride","CAS":"115-79-7","CAS.Checksum":true,"DTXSID":"DTXSID3022582","Formula":"C28H42Cl4N4O2","All.Compound.Names":"Ambenonium chloride|Dtxsid3022582|115-79-7","logHenry":-7.542,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.015,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.683,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.718,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.5,"MP.Reference":"EPA-CCD-OPERA","MW":608.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.95","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-79-7"}
{"Compound":"2-butyl-2-ethyl-1,3-propanediol","CAS":"115-84-4","CAS.Checksum":true,"DTXSID":"DTXSID8041400","Formula":"C9H20O2","All.Compound.Names":"2-butyl-2-ethyl-1,3-propanediol|Dtxsid8041400|115-84-4","logHenry":-6.722,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.879,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.891,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.065,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.57,"MP.Reference":"EPA-CCD-OPERA","MW":160.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-84-4"}
{"Compound":"Fensulfothion","CAS":"115-90-2","CAS.Checksum":true,"DTXSID":"DTXSID6021953","Formula":"C11H17O4PS2","All.Compound.Names":"Fensulfothion|Dtxsid6021953","logHenry":-6.367,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.23,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.21,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.26,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.72,"MP.Reference":"EPA-CCD-OPERA","MW":308.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-90-2"}
{"Compound":"Cythioate","CAS":"115-93-5","CAS.Checksum":true,"DTXSID":"DTXSID8041828","Formula":"C8H12NO5PS2","All.Compound.Names":"Cythioate|Dtxsid8041828|115-93-5","logHenry":-8.429,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.045,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.516,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.489,"logWSol.Reference":"EPA-CCD-OPERA","MP":99.66,"MP.Reference":"EPA-CCD-OPERA","MW":297.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.52","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-93-5"}
{"Compound":"Linalyl acetate","CAS":"115-95-7","CAS.Checksum":true,"DTXSID":"DTXSID7026946","Formula":"C12H20O2","All.Compound.Names":"Linalyl acetate|Dtxsid7026946","logHenry":-3.684,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.931,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.928,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.521,"logWSol.Reference":"EPA-CCD-OPERA","MP":-55.57,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-95-7"}
{"Compound":"Linalyl formate","CAS":"115-99-1","CAS.Checksum":true,"DTXSID":"DTXSID2047642","Formula":"C11H18O2","All.Compound.Names":"Linalyl formate|Dtxsid2047642","logHenry":-3.262,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.713,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.291,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.899,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.84,"MP.Reference":"EPA-CCD-OPERA","MW":182.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115-99-1"}
{"Compound":"Mk-571 sodium","CAS":"115103-85-0","CAS.Checksum":true,"DTXSID":"DTXSID5046358","Formula":"C26H26ClN2NaO3S2","All.Compound.Names":"Mk-571 sodium|Dtxsid5046358|115103-85-0","logHenry":-8.265,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.992,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.576,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.302,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.6,"MP.Reference":"EPA-CCD-OPERA","MW":537.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115103-85-0"}
{"Compound":"N-[(benzyloxy)carbonyl]-l-aspartic acid","CAS":"1152-61-0","CAS.Checksum":true,"DTXSID":"DTXSID9027368","Formula":"C12H13NO6","All.Compound.Names":"N-[(benzyloxy)carbonyl]-l-aspartic acid|Dtxsid9027368|1152-61-0","logHenry":-10.24,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8634,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.344,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.927,"logWSol.Reference":"EPA-CCD-OPERA","MP":180,"MP.Reference":"EPA-CCD-OPERA","MW":267.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1152-61-0"}
{"Compound":"Siguazodan","CAS":"115344-47-3","CAS.Checksum":true,"DTXSID":"DTXSID0045202","Formula":"C14H16N6O","All.Compound.Names":"Siguazodan|Dtxsid0045202|115344-47-3","logHenry":-9.383,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.266,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.735,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.413,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.2,"MP.Reference":"EPA-CCD-OPERA","MW":284.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115344-47-3"}
{"Compound":"Risedronate sodium","CAS":"115436-72-1","CAS.Checksum":true,"DTXSID":"DTXSID1046132","Formula":"C7H9NNa2O7P2","All.Compound.Names":"Risedronate sodium|Dtxsid1046132|115436-72-1","logHenry":-8.646,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4085,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.887,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.03261,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.6,"MP.Reference":"EPA-CCD-OPERA","MW":327.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115436-72-1"}
{"Compound":"Tetradecylpyridinium bromide","CAS":"1155-74-4","CAS.Checksum":true,"DTXSID":"DTXSID5042459","Formula":"C19H34BrN","All.Compound.Names":"Tetradecylpyridinium bromide|Dtxsid5042459|1155-74-4","logHenry":-5.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.318,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.128,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.291,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.38,"MP.Reference":"EPA-CCD-OPERA","MW":356.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1155-74-4"}
{"Compound":"Marbofloxacin","CAS":"115550-35-1","CAS.Checksum":true,"DTXSID":"DTXSID4046600","Formula":"C17H19FN4O4","All.Compound.Names":"Marbofloxacin|Dtxsid4046600|115550-35-1","logHenry":-8.783,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3161,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.35,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.49,"logWSol.Reference":"EPA-CCD-OPERA","MP":229.5,"MP.Reference":"EPA-CCD-OPERA","MW":362.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.27","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115550-35-1"}
{"Compound":"Tropisetron methyliodide","CAS":"115626-53-4","CAS.Checksum":true,"DTXSID":"DTXSID2045814","Formula":"C18H23IN2O2","All.Compound.Names":"Tropisetron methyliodide|Dtxsid2045814|115626-53-4","logHenry":-9.078,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.153,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.23,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.295,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.9,"MP.Reference":"EPA-CCD-OPERA","MW":426.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115626-53-4"}
{"Compound":"Dolasetron mesylate","CAS":"115956-13-3","CAS.Checksum":true,"DTXSID":"DTXSID3046827","Formula":"C20H24N2O6S","All.Compound.Names":"Dolasetron mesylate|Dtxsid3046827|115956-13-3","logHenry":-8.73,"logHenry.Reference":"OPERA29","logP":-1.75,"logP.Reference":"OPERA29","logWSol":-3.09,"logWSol.Reference":"OPERA29","MP":216,"MP.Reference":"OPERA29","MW":420.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115956-13-3"}
{"Compound":"Tosufloxacin toluenesulfonic acid","CAS":"115964-29-9","CAS.Checksum":true,"DTXSID":"DTXSID8047842","Formula":"C26H23F3N4O6S","All.Compound.Names":"Tosufloxacin toluenesulfonic acid|Dtxsid8047842|115964-29-9","logHenry":-10.5,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8159,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.699,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.011,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.3,"MP.Reference":"EPA-CCD-OPERA","MW":576.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.62","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"115964-29-9"}
{"Compound":"3,3,5-trimethylcyclohexanol","CAS":"116-02-9","CAS.Checksum":true,"DTXSID":"DTXSID9041815","Formula":"C9H18O","All.Compound.Names":"3,3,5-trimethylcyclohexanol|Dtxsid9041815|116-02-9","logHenry":-4.729,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.134,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.846,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.292,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.26,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116-02-9"}
{"Compound":"Hexachloroacetone","CAS":"116-16-5","CAS.Checksum":true,"DTXSID":"DTXSID7021601","Formula":"C3Cl6O","All.Compound.Names":"Hexachloroacetone|1,1,1,3,3,3-hexachloro-2-propanone|Dtxsid7021601","logHenry":-2.538,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.019,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.194,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.08,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.933,"MP.Reference":"EPA-CCD-OPERA","MW":264.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116-16-5"}
{"Compound":"Tripropan-2-yl phosphite","CAS":"116-17-6","CAS.Checksum":true,"DTXSID":"DTXSID9044372","Formula":"C9H21O3P","All.Compound.Names":"Tripropan-2-yl phosphite|Dtxsid9044372","logHenry":-6.131,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.762,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.569,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.597,"logWSol.Reference":"EPA-CCD-OPERA","MP":-63.28,"MP.Reference":"EPA-CCD-OPERA","MW":208.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116-17-6"}
{"Compound":"2,6,6-trimethylcyclohexa-1,3-dienylmethanal","CAS":"116-26-7","CAS.Checksum":true,"DTXSID":"DTXSID7049398","Formula":"C10H14O","All.Compound.Names":"2,6,6-trimethylcyclohexa-1,3-dienylmethanal|Safranal|Dtxsid7049398","logHenry":-4.566,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.503,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.493,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.909,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.77,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116-26-7"}
{"Compound":"Tetradifon","CAS":"116-29-0","CAS.Checksum":true,"DTXSID":"DTXSID7021316","Formula":"C12H6Cl4O2S","All.Compound.Names":"Tetradifon|Dtxsid7021316","logHenry":-5.164,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.609,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.213,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.658,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.9,"MP.Reference":"EPA-CCD-OPERA","MW":356,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116-29-0"}
{"Compound":"Retinal","CAS":"116-31-4","CAS.Checksum":true,"DTXSID":"DTXSID5025998","Formula":"C20H28O","All.Compound.Names":"Retinal|Dtxsid5025998","logHenry":-4.726,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.605,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.11,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.438,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.82,"MP.Reference":"EPA-CCD-OPERA","MW":284.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116-31-4"}
{"Compound":"Edrophonium chloride","CAS":"116-38-1","CAS.Checksum":true,"DTXSID":"DTXSID1022978","Formula":"C10H16ClNO","All.Compound.Names":"Edrophonium chloride|Dtxsid1022978|116-38-1","logHenry":-5.468,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9055,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.337,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.624,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.9,"MP.Reference":"EPA-CCD-OPERA","MW":201.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116-38-1"}
{"Compound":"Succinylsulfathiazole","CAS":"116-43-8","CAS.Checksum":true,"DTXSID":"DTXSID7045281","Formula":"C13H13N3O5S2","All.Compound.Names":"Succinylsulfathiazole|Dtxsid7045281|116-43-8","logHenry":-10.92,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9982,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.344,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.299,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.5,"MP.Reference":"EPA-CCD-OPERA","MW":355.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116-43-8"}
{"Compound":"Sulfabromomethazine","CAS":"116-45-0","CAS.Checksum":true,"DTXSID":"DTXSID5046857","Formula":"C12H13BrN4O2S","All.Compound.Names":"Sulfabromomethazine|Dtxsid5046857|116-45-0","logHenry":-9.968,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7681,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.628,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.787,"logWSol.Reference":"EPA-CCD-OPERA","MP":224.3,"MP.Reference":"EPA-CCD-OPERA","MW":357.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116-45-0"}
{"Compound":"Amoebicon","CAS":"116-49-4","CAS.Checksum":true,"DTXSID":"DTXSID1048754","Formula":"C8H9AsBiNO6","All.Compound.Names":"Amoebicon","MW":499.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116-49-4"}
{"Compound":"Dichloralurea","CAS":"116-52-9","CAS.Checksum":true,"DTXSID":"DTXSID0041852","Formula":"C5H6Cl6N2O3","All.Compound.Names":"Dichloralurea|Dtxsid0041852|116-52-9","logHenry":-8.879,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5721,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.814,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.225,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.4,"MP.Reference":"EPA-CCD-OPERA","MW":354.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116-52-9"}
{"Compound":"2-methylbutanoic acid","CAS":"116-53-0","CAS.Checksum":true,"DTXSID":"DTXSID5021621","Formula":"C5H10O2","All.Compound.Names":"2-methylbutanoic acid|Dtxsid5021621|116-53-0","logHenry":-6.031,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.181,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.011,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3572,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.94,"MP.Reference":"EPA-CCD-OPERA","MW":102.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116-53-0"}
{"Compound":"1,1,3,3,5-pentamethyl-4,6-dinitro-2,3-dihydro-1h-indene","CAS":"116-66-5","CAS.Checksum":true,"DTXSID":"DTXSID6044519","Formula":"C14H18N2O4","All.Compound.Names":"1,1,3,3,5-pentamethyl-4,6-dinitro-2,3-dihydro-1h-indene|Dtxsid6044519","logHenry":-5.334,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.653,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.758,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.756,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.5,"MP.Reference":"EPA-CCD-OPERA","MW":278.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116-66-5"}
{"Compound":"1-amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid","CAS":"116-81-4","CAS.Checksum":true,"DTXSID":"DTXSID5044782","Formula":"C14H8BrNO5S","All.Compound.Names":"1-amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid|Dtxsid5044782|116-81-4","logHenry":-11.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.621,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.859,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.649,"logWSol.Reference":"EPA-CCD-OPERA","MP":223,"MP.Reference":"EPA-CCD-OPERA","MW":382.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116-81-4"}
{"Compound":"Triphenyllead acetate","CAS":"1162-06-7","CAS.Checksum":true,"DTXSID":"DTXSID6047498","Formula":"C20H18O2Pb","All.Compound.Names":"Triphenyllead acetate","MW":497.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1162-06-7"}
{"Compound":"Bromuconazole","CAS":"116255-48-2","CAS.Checksum":true,"DTXSID":"DTXSID9032531","Formula":"C13H12BrCl2N3O","All.Compound.Names":"Bromuconazole|Dtxsid9032531|116255-48-2","logHenry":-4.994,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.24,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.613,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.88,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.97,"MP.Reference":"EPA-CCD-OPERA","MW":377.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116255-48-2"}
{"Compound":"Lanperisone hydrochloride","CAS":"116287-13-9","CAS.Checksum":true,"DTXSID":"DTXSID4048856","Formula":"C15H19ClF3NO","All.Compound.Names":"Lanperisone hydrochloride|Dtxsid4048856|116287-13-9","logHenry":-7.43,"logHenry.Reference":"OPERA29","logP":3.09,"logP.Reference":"OPERA29","logWSol":-3.49,"logWSol.Reference":"OPERA29","MP":55,"MP.Reference":"OPERA29","MW":321.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116287-13-9"}
{"Compound":"3-thiatetradecanoic acid","CAS":"116296-31-2","CAS.Checksum":true,"DTXSID":"DTXSID4047545","Formula":"C13H26O2S","All.Compound.Names":"3-thiatetradecanoic acid|Dtxsid4047545|116296-31-2","logHenry":-6.703,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.659,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.143,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.779,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.61,"MP.Reference":"EPA-CCD-OPERA","MW":246.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116296-31-2"}
{"Compound":"Decabromodiphenyl oxide","CAS":"1163-19-5","CAS.Checksum":true,"DTXSID":"DTXSID9020376","Formula":"C12Br10O","All.Compound.Names":"Decabromodiphenyl oxide|2,2',3,3',4,4',5,5',6,6'-decabromodiphenyl ether|Dtxsid9020376","logHenry":-2.794,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.738,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.939,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-9.978,"logWSol.Reference":"EPA-CCD-OPERA","MP":295.1,"MP.Reference":"EPA-CCD-OPERA","MW":959.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1163-19-5"}
{"Compound":"Clemizole hydrochloride","CAS":"1163-36-6","CAS.Checksum":true,"DTXSID":"DTXSID9045136","Formula":"C19H21Cl2N3","All.Compound.Names":"Clemizole hydrochloride|Dtxsid9045136|1163-36-6","logHenry":-5.411,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.859,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.835,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.171,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.4,"MP.Reference":"EPA-CCD-OPERA","MW":362.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1163-36-6"}
{"Compound":"Watanidipine","CAS":"116308-55-5","CAS.Checksum":true,"DTXSID":"DTXSID2043747","Formula":"C41H42N4O6","All.Compound.Names":"Watanidipine|Dtxsid2043747|116308-55-5","logHenry":-7.449,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.324,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.349,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.172,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.6,"MP.Reference":"EPA-CCD-OPERA","MW":686.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116308-55-5"}
{"Compound":"Cinanserin","CAS":"1166-34-3","CAS.Checksum":true,"DTXSID":"DTXSID7045653","Formula":"C20H24N2OS","All.Compound.Names":"Cinanserin|Dtxsid7045653|1166-34-3","logHenry":-8.215,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.963,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.405,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.254,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.5,"MP.Reference":"EPA-CCD-OPERA","MW":340.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1166-34-3"}
{"Compound":"Ramatroban","CAS":"116649-85-5","CAS.Checksum":true,"DTXSID":"DTXSID1046685","Formula":"C21H21FN2O4S","All.Compound.Names":"Ramatroban|Dtxsid1046685|116649-85-5","logHenry":-9.782,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.124,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.39,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.402,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.3,"MP.Reference":"EPA-CCD-OPERA","MW":416.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.81","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"116649-85-5"}
{"Compound":"Mibefradil dihydrochloride","CAS":"116666-63-8","CAS.Checksum":true,"DTXSID":"DTXSID8044204","Formula":"C29H40Cl2FN3O3","All.Compound.Names":"Mibefradil dihydrochloride|Dtxsid8044204|116666-63-8","logHenry":-7.5,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.212,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.986,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.371,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.2,"MP.Reference":"EPA-CCD-OPERA","MW":568.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116666-63-8"}
{"Compound":"Isamoltan","CAS":"116861-00-8","CAS.Checksum":true,"DTXSID":"DTXSID5045671","Formula":"C16H22N2O2","All.Compound.Names":"Isamoltan|Dtxsid5045671|116861-00-8","logHenry":-9.023,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.877,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.45,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.516,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.7,"MP.Reference":"EPA-CCD-OPERA","MW":274.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116861-00-8"}
{"Compound":"Urea, (3-silylpropyl)-, si-(ethoxy and methoxy) derivs.","CAS":"116912-64-2","CAS.Checksum":true,"DTXSID":"DTXSID0044783","All.Compound.Names":"Urea, (3-silylpropyl)-, si-(ethoxy and methoxy) derivs.|2-silylpropyl-urea, si-(ethoxy and methoxy) derivs","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"116912-64-2"}
{"Compound":"Tetrachlorophthalic anhydride","CAS":"117-08-8","CAS.Checksum":true,"DTXSID":"DTXSID7026102","Formula":"C8Cl4O3","All.Compound.Names":"Tetrachlorophthalic anhydride|Dtxsid7026102","logHenry":-8.414,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.656,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.986,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.333,"logWSol.Reference":"EPA-CCD-OPERA","MP":254.5,"MP.Reference":"EPA-CCD-OPERA","MW":285.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"117-08-8"}
{"Compound":"Danthron","CAS":"117-10-2","CAS.Checksum":true,"DTXSID":"DTXSID9020328","Formula":"C14H8O4","All.Compound.Names":"Danthron|Dtxsid9020328|117-10-2","logHenry":-9.796,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.944,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.109,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.191,"logWSol.Reference":"EPA-CCD-OPERA","MP":234.9,"MP.Reference":"EPA-CCD-OPERA","MW":240.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"117-10-2"}
{"Compound":"2,3,5,6-tetrachloronitrobenzene","CAS":"117-18-0","CAS.Checksum":true,"DTXSID":"DTXSID0026098","Formula":"C6HCl4NO2","All.Compound.Names":"2,3,5,6-tetrachloronitrobenzene|Dtxsid0026098","logHenry":-4.275,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.373,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.376,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.154,"logWSol.Reference":"EPA-CCD-OPERA","MP":99.35,"MP.Reference":"EPA-CCD-OPERA","MW":260.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"117-18-0"}
{"Compound":"Anisindione","CAS":"117-37-3","CAS.Checksum":true,"DTXSID":"DTXSID3022611","Formula":"C16H12O3","All.Compound.Names":"Anisindione|Dtxsid3022611","logHenry":-7.663,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.88,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.952,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.198,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.4,"MP.Reference":"EPA-CCD-OPERA","MW":252.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"117-37-3"}
{"Compound":"Dichlone","CAS":"117-80-6","CAS.Checksum":true,"DTXSID":"DTXSID7020425","Formula":"C10H4Cl2O2","All.Compound.Names":"Dichlone|Dtxsid7020425","logHenry":-3.693,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.151,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.229,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.702,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.4,"MP.Reference":"EPA-CCD-OPERA","MW":227,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"117-80-6"}
{"Compound":"Di(2-methoxyethyl) phthalate","CAS":"117-82-8","CAS.Checksum":true,"DTXSID":"DTXSID8025094","Formula":"C14H18O6","All.Compound.Names":"Di(2-methoxyethyl) phthalate|Dtxsid8025094","logHenry":-8.36,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.35,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.668,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.522,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.59,"MP.Reference":"EPA-CCD-OPERA","MW":282.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"117-82-8"}
{"Compound":"Bis(2-butoxyethyl) phthalate","CAS":"117-83-9","CAS.Checksum":true,"DTXSID":"DTXSID9047174","Formula":"C20H30O6","All.Compound.Names":"Bis(2-butoxyethyl) phthalate|Dtxsid9047174","logHenry":-7.274,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.635,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.81,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.97,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.325,"MP.Reference":"EPA-CCD-OPERA","MW":366.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"117-83-9"}
{"Compound":"2-hydroxybenzophenone","CAS":"117-99-7","CAS.Checksum":true,"DTXSID":"DTXSID5047879","Formula":"C13H10O2","All.Compound.Names":"2-hydroxybenzophenone|Dtxsid5047879|117-99-7","logHenry":-8.131,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.519,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.325,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.226,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.38,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"117-99-7"}
{"Compound":"Etoposide phosphate","CAS":"117091-64-2","CAS.Checksum":true,"DTXSID":"DTXSID9048645","Formula":"C29H33O16P","All.Compound.Names":"Etoposide phosphate|Dtxsid9048645|117091-64-2","logHenry":-9.767,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.706,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.822,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.838,"logWSol.Reference":"EPA-CCD-OPERA","MP":240.3,"MP.Reference":"EPA-CCD-OPERA","MW":668.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"117091-64-2"}
{"Compound":"Israpafant","CAS":"117279-73-9","CAS.Checksum":true,"DTXSID":"DTXSID5020312","Formula":"C28H29ClN4S","All.Compound.Names":"Israpafant|Dtxsid5020312|117279-73-9","logHenry":-6.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.482,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.193,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.11,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.5,"MP.Reference":"EPA-CCD-OPERA","MW":489.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"117279-73-9"}
{"Compound":"Oxacillin sodium salt","CAS":"1173-88-2","CAS.Checksum":true,"DTXSID":"DTXSID9048980","Formula":"C19H18N3NaO5S","All.Compound.Names":"Oxacillin sodium salt|Dtxsid9048980|1173-88-2","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.03,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.58,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.345,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.6,"MP.Reference":"EPA-CCD-OPERA","MW":423.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1173-88-2"}
{"Compound":"N-phenyl-n-[1-(2-thienyl)methyl-4-piperidyl]propanamide hydrochloride","CAS":"117332-93-1","CAS.Checksum":true,"DTXSID":"DTXSID4048937","Formula":"C19H25ClN2OS","All.Compound.Names":"N-phenyl-n-[1-(2-thienyl)methyl-4-piperidyl]propanamide hydrochloride|Thenylfentanyl hydrochloride|Dtxsid4048937|117332-93-1","logHenry":-7.501,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.8,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.909,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.734,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.1,"MP.Reference":"EPA-CCD-OPERA","MW":364.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"117332-93-1"}
{"Compound":"N-[1-[1-methyl-2-(2-thienyl)ethyl]-4-piperidyl]-n-phenylpropanamide hydrochloride","CAS":"117332-94-2","CAS.Checksum":true,"DTXSID":"DTXSID4048935","Formula":"C21H29ClN2OS","All.Compound.Names":"N-[1-[1-methyl-2-(2-thienyl)ethyl]-4-piperidyl]-n-phenylpropanamide hydrochloride|Alpha-methyl thiofentanyl hydrochloride|Dtxsid4048935|117332-94-2","logHenry":-7.225,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.512,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.19,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.212,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.6,"MP.Reference":"EPA-CCD-OPERA","MW":393,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"117332-94-2"}
{"Compound":"Midafotel","CAS":"117414-74-1","CAS.Checksum":true,"DTXSID":"DTXSID1045740","Formula":"C8H15N2O5P","All.Compound.Names":"Midafotel|Dtxsid1045740|117414-74-1","logHenry":-8.648,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2809,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.666,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1916,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.8,"MP.Reference":"EPA-CCD-OPERA","MW":250.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"117414-74-1"}
{"Compound":"Cefditorin pivoxil","CAS":"117467-28-4","CAS.Checksum":true,"DTXSID":"DTXSID2048743","Formula":"C25H28N6O7S3","All.Compound.Names":"Cefditorin pivoxil|117467-28-4|Dtxsid2048743","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8529,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.89,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.954,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.8,"MP.Reference":"EPA-CCD-OPERA","MW":620.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.14,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"117467-28-4"}
{"Compound":"Phenyltoloxamine citrate","CAS":"1176-08-5","CAS.Checksum":true,"DTXSID":"DTXSID5047790","Formula":"C23H29NO8","All.Compound.Names":"Phenyltoloxamine citrate|Dtxsid5047790|1176-08-5","logHenry":-5.165,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8375,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.133,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.997,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.8,"MP.Reference":"EPA-CCD-OPERA","MW":447.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1176-08-5"}
{"Compound":"Dexamethasone acetate","CAS":"1177-87-3","CAS.Checksum":true,"DTXSID":"DTXSID8022901","Formula":"C24H31FO6","All.Compound.Names":"Dexamethasone acetate|Dtxsid8022901|1177-87-3","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.816,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.685,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.898,"logWSol.Reference":"EPA-CCD-OPERA","MP":247.4,"MP.Reference":"EPA-CCD-OPERA","MW":434.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1177-87-3"}
{"Compound":"Doramectin","CAS":"117704-25-3","CAS.Checksum":true,"DTXSID":"DTXSID9048982","Formula":"C50H74O14","All.Compound.Names":"Doramectin|Dtxsid9048982|117704-25-3","logHenry":-9.822,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.723,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.908,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.557,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.9,"MP.Reference":"EPA-CCD-OPERA","MW":899.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.11","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"117704-25-3"}
{"Compound":"Metoserpate hydrochloride","CAS":"1178-29-6","CAS.Checksum":true,"DTXSID":"DTXSID6046846","Formula":"C24H33ClN2O5","All.Compound.Names":"Metoserpate hydrochloride|Dtxsid6046846|1178-29-6","logHenry":-8.158,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.749,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.519,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.305,"logWSol.Reference":"EPA-CCD-OPERA","MP":145,"MP.Reference":"EPA-CCD-OPERA","MW":465,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.11","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1178-29-6"}
{"Compound":"1-ethyl-1-methylpyrrolidinium tetrafluoroborate","CAS":"117947-85-0","CAS.Checksum":true,"DTXSID":"DTXSID8049206","Formula":"C7H16BF4N","All.Compound.Names":"1-ethyl-1-methylpyrrolidinium tetrafluoroborate|117947-85-0","logHenry":-0.32,"logHenry.Reference":"OPERA29","logP":-1.89,"logP.Reference":"OPERA29","logWSol":-0.22,"logWSol.Reference":"OPERA29","MP":-68,"MP.Reference":"OPERA29","MW":201,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"117947-85-0"}
{"Compound":"Rabeprazole sodium","CAS":"117976-90-6","CAS.Checksum":true,"DTXSID":"DTXSID3044205","Formula":"C18H20N3NaO3S","All.Compound.Names":"Rabeprazole sodium|Dtxsid3044205|117976-90-6","logHenry":-6.515,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.685,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.576,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.439,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.6,"MP.Reference":"EPA-CCD-OPERA","MW":381.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"117976-90-6"}
{"Compound":"Hydrastine","CAS":"118-08-1","CAS.Checksum":true,"DTXSID":"DTXSID9025409","Formula":"C21H21NO6","All.Compound.Names":"Hydrastine|Dtxsid9025409|118-08-1","logHenry":-7.644,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.576,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.12,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.108,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.1,"MP.Reference":"EPA-CCD-OPERA","MW":383.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-08-1"}
{"Compound":"Cinchonine","CAS":"118-10-5","CAS.Checksum":true,"DTXSID":"DTXSID6045082","Formula":"C19H22N2O","All.Compound.Names":"Cinchonine|Dtxsid6045082|118-10-5","logHenry":-9.198,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.679,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.935,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.116,"logWSol.Reference":"EPA-CCD-OPERA","MP":237.7,"MP.Reference":"EPA-CCD-OPERA","MW":294.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-10-5"}
{"Compound":"Bromodiphenhydramine","CAS":"118-23-0","CAS.Checksum":true,"DTXSID":"DTXSID6022688","Formula":"C17H20BrNO","All.Compound.Names":"Bromodiphenhydramine|Dtxsid6022688|118-23-0","logHenry":-5.409,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.788,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.884,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.584,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.26,"MP.Reference":"EPA-CCD-OPERA","MW":334.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-23-0"}
{"Compound":"2-(hydroxymethyl)-1h-isoindole-1,3(2h)-dione","CAS":"118-29-6","CAS.Checksum":true,"DTXSID":"DTXSID1026954","Formula":"C9H7NO3","All.Compound.Names":"2-(hydroxymethyl)-1h-isoindole-1,3(2h)-dione|N-(hydroxymethyl)phthalimide|Dtxsid1026954|118-29-6","logHenry":-8.724,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.436,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.908,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.984,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.4,"MP.Reference":"EPA-CCD-OPERA","MW":177.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-29-6"}
{"Compound":"1h-pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-","CAS":"118-47-8","CAS.Checksum":true,"DTXSID":"DTXSID5041273","Formula":"C10H8N2O6S","All.Compound.Names":"1h-pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-|Pyrazolone t|Dtxsid5041273|118-47-8","logHenry":-11.1,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2339,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.787,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.734,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.4,"MP.Reference":"EPA-CCD-OPERA","MW":284.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-47-8"}
{"Compound":"2h-3,1-benzoxazine-2,4(1h)-dione","CAS":"118-48-9","CAS.Checksum":true,"DTXSID":"DTXSID6026955","Formula":"C8H5NO3","All.Compound.Names":"2h-3,1-benzoxazine-2,4(1h)-dione|Dtxsid6026955|118-48-9","logHenry":-9.437,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.07543,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.273,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.582,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.9,"MP.Reference":"EPA-CCD-OPERA","MW":163.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-48-9"}
{"Compound":"1,3-dichloro-5,5-dimethylhydantoin","CAS":"118-52-5","CAS.Checksum":true,"DTXSID":"DTXSID4024985","Formula":"C5H6Cl2N2O2","All.Compound.Names":"1,3-dichloro-5,5-dimethylhydantoin|Dtxsid4024985|118-52-5","logHenry":-3.674,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.72,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.614,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.593,"logWSol.Reference":"EPA-CCD-OPERA","MP":132,"MP.Reference":"EPA-CCD-OPERA","MW":197,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-52-5"}
{"Compound":"Phenyl salicylate","CAS":"118-55-8","CAS.Checksum":true,"DTXSID":"DTXSID6021957","Formula":"C13H10O3","All.Compound.Names":"Phenyl salicylate|Dtxsid6021957|118-55-8","logHenry":-8.846,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.604,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.288,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.152,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.3,"MP.Reference":"EPA-CCD-OPERA","MW":214.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-55-8"}
{"Compound":"3,3,5-trimethylcyclohexyl salicylate","CAS":"118-56-9","CAS.Checksum":true,"DTXSID":"DTXSID1026241","Formula":"C16H22O3","All.Compound.Names":"3,3,5-trimethylcyclohexyl salicylate|Dtxsid1026241|118-56-9","logHenry":-8.806,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.187,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.524,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.231,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.69,"MP.Reference":"EPA-CCD-OPERA","MW":262.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-56-9"}
{"Compound":"Acetaminosalol","CAS":"118-57-0","CAS.Checksum":true,"DTXSID":"DTXSID7045865","Formula":"C15H13NO4","All.Compound.Names":"Acetaminosalol|Dtxsid7045865|118-57-0","logHenry":-9.605,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.542,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.677,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.856,"logWSol.Reference":"EPA-CCD-OPERA","MP":187,"MP.Reference":"EPA-CCD-OPERA","MW":271.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-57-0"}
{"Compound":"2-ethylhexyl salicylate","CAS":"118-60-5","CAS.Checksum":true,"DTXSID":"DTXSID7040734","Formula":"C15H22O3","All.Compound.Names":"2-ethylhexyl salicylate|Dtxsid7040734|118-60-5","logHenry":-8.795,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.043,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.405,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.271,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.55,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-60-5"}
{"Compound":"Ethyl salicylate","CAS":"118-61-6","CAS.Checksum":true,"DTXSID":"DTXSID1021958","Formula":"C9H10O3","All.Compound.Names":"Ethyl salicylate|Dtxsid1021958|118-61-6","logHenry":-7.41,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.942,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.613,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.735,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.413,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-61-6"}
{"Compound":"Etryptamine acetate","CAS":"118-68-3","CAS.Checksum":true,"DTXSID":"DTXSID2048876","Formula":"C14H20N2O2","All.Compound.Names":"Etryptamine acetate|Dtxsid2048876|118-68-3","logHenry":-7.133,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.435,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.754,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.568,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.2,"MP.Reference":"EPA-CCD-OPERA","MW":248.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-68-3"}
{"Compound":"2,6-dichlorotoluene","CAS":"118-69-4","CAS.Checksum":true,"DTXSID":"DTXSID3040697","Formula":"C7H6Cl2","All.Compound.Names":"2,6-dichlorotoluene|Dtxsid3040697","logHenry":-2.64,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.989,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8562,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.812,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.17,"MP.Reference":"EPA-CCD-OPERA","MW":161,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-69-4"}
{"Compound":"Maltol","CAS":"118-71-8","CAS.Checksum":true,"DTXSID":"DTXSID0025523","Formula":"C6H6O3","All.Compound.Names":"Maltol|Dtxsid0025523","logHenry":-6.389,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.08827,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.443,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5812,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.5,"MP.Reference":"EPA-CCD-OPERA","MW":126.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-71-8"}
{"Compound":"Chloranil","CAS":"118-75-2","CAS.Checksum":true,"DTXSID":"DTXSID2020266","Formula":"C6Cl4O2","All.Compound.Names":"Chloranil|Dtxsid2020266","logHenry":-3.855,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.221,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.215,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.986,"logWSol.Reference":"EPA-CCD-OPERA","MP":289.7,"MP.Reference":"EPA-CCD-OPERA","MW":245.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-75-2"}
{"Compound":"4,4'-methylenebis(2,6-di-t-butylphenol)","CAS":"118-82-1","CAS.Checksum":true,"DTXSID":"DTXSID7022411","Formula":"C29H44O2","All.Compound.Names":"4,4'-methylenebis(2,6-di-t-butylphenol)|Dtxsid7022411|118-82-1","logHenry":-6.382,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.288,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.653,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.5,"MP.Reference":"EPA-CCD-OPERA","MW":424.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-82-1"}
{"Compound":"5-amino-2-methylbenzenesulfonic acid","CAS":"118-88-7","CAS.Checksum":true,"DTXSID":"DTXSID0044523","Formula":"C7H9NO3S","All.Compound.Names":"5-amino-2-methylbenzenesulfonic acid|Dtxsid0044523|118-88-7","logHenry":-8.373,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.012,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.968,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.223,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.1,"MP.Reference":"EPA-CCD-OPERA","MW":187.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-88-7"}
{"Compound":"2-methylbenzoic acid","CAS":"118-90-1","CAS.Checksum":true,"DTXSID":"DTXSID6026161","Formula":"C8H8O2","All.Compound.Names":"2-methylbenzoic acid|Dtxsid6026161|118-90-1","logHenry":-6.082,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.454,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.015,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.064,"logWSol.Reference":"EPA-CCD-OPERA","MP":104,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-90-1"}
{"Compound":"2-chlorobenzoic acid","CAS":"118-91-2","CAS.Checksum":true,"DTXSID":"DTXSID4024771","Formula":"C7H5ClO2","All.Compound.Names":"2-chlorobenzoic acid|Dtxsid4024771|118-91-2","logHenry":-7.366,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.054,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.434,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.884,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.9,"MP.Reference":"EPA-CCD-OPERA","MW":156.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-91-2"}
{"Compound":"Anthranilic acid","CAS":"118-92-3","CAS.Checksum":true,"DTXSID":"DTXSID8020094","Formula":"C7H7NO2","All.Compound.Names":"Anthranilic acid|Dtxsid8020094|118-92-3","logHenry":-7.932,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.208,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.638,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.556,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.2,"MP.Reference":"EPA-CCD-OPERA","MW":137.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-92-3"}
{"Compound":"2-hydroxyacetophenone","CAS":"118-93-4","CAS.Checksum":true,"DTXSID":"DTXSID7040285","Formula":"C8H8O2","All.Compound.Names":"2-hydroxyacetophenone|Dtxsid7040285|118-93-4","logHenry":-6.925,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.919,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.694,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.215,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.899,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-93-4"}
{"Compound":"Limoni","CAS":"1180-71-8","CAS.Checksum":true,"DTXSID":"DTXSID8045985","Formula":"C26H30O8","All.Compound.Names":"Limoni|Limonin|Dtxsid8045985|1180-71-8","logHenry":-8.467,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.055,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.63,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.526,"logWSol.Reference":"EPA-CCD-OPERA","MP":297.9,"MP.Reference":"EPA-CCD-OPERA","MW":470.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1180-71-8"}
{"Compound":"Prednisolone farnesylate","CAS":"118244-44-3","CAS.Checksum":true,"DTXSID":"DTXSID0057625","Formula":"C36H50O6","All.Compound.Names":"Prednisolone farnesylate|Dtxsid0057625|118244-44-3","logHenry":-9.825,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.769,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.947,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.194,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.6,"MP.Reference":"EPA-CCD-OPERA","MW":578.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118244-44-3"}
{"Compound":"Lafutidine","CAS":"118288-08-7","CAS.Checksum":true,"DTXSID":"DTXSID0046434","Formula":"C22H29N3O4S","All.Compound.Names":"Lafutidine|Dtxsid0046434|118288-08-7","logHenry":-9.738,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.434,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.774,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.681,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.3,"MP.Reference":"EPA-CCD-OPERA","MW":431.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118288-08-7"}
{"Compound":"Tazarotene","CAS":"118292-40-3","CAS.Checksum":true,"DTXSID":"DTXSID5046691","Formula":"C21H21NO2S","All.Compound.Names":"Tazarotene|Dtxsid5046691|118292-40-3","logHenry":-6.761,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.254,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.645,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.481,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.1,"MP.Reference":"EPA-CCD-OPERA","MW":351.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118292-40-3"}
{"Compound":"Tyrphostin 23","CAS":"118409-57-7","CAS.Checksum":true,"DTXSID":"DTXSID9045215","Formula":"C10H6N2O2","All.Compound.Names":"Tyrphostin 23|((3,4-dihydroxyphenyl)methylene)-propanedinitrile|Dtxsid9045215|118409-57-7","logHenry":-9.321,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4591,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.693,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9812,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.4,"MP.Reference":"EPA-CCD-OPERA","MW":186.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118409-57-7"}
{"Compound":"Tyrphostin 25","CAS":"118409-58-8","CAS.Checksum":true,"DTXSID":"DTXSID4045216","Formula":"C10H6N2O3","All.Compound.Names":"Tyrphostin 25|Dtxsid4045216|118409-58-8","logHenry":-9.178,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6195,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.148,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.502,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.7,"MP.Reference":"EPA-CCD-OPERA","MW":202.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118409-58-8"}
{"Compound":"Cefquinome sulfate","CAS":"118443-89-3","CAS.Checksum":true,"DTXSID":"DTXSID6048593","Formula":"C22H25N7O9S3","All.Compound.Names":"Cefquinome sulfate|Dtxsid6048593|118443-89-3","logHenry":-13.06,"logHenry.Reference":"OPERA29","logP":-0.78,"logP.Reference":"OPERA29","logWSol":-4.07,"logWSol.Reference":"OPERA29","MP":135,"MP.Reference":"OPERA29","MW":627.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.58","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118443-89-3"}
{"Compound":"Ipidacrine hydrochloride hydrate","CAS":"118499-70-0","CAS.Checksum":true,"DTXSID":"DTXSID9046734","Formula":"C12H19ClN2O","All.Compound.Names":"Ipidacrine hydrochloride hydrate|Dtxsid9046734|118499-70-0","logHenry":-6.627,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2927,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.108,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.655,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.4,"MP.Reference":"EPA-CCD-OPERA","MW":242.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118499-70-0"}
{"Compound":"Tromethamine hydrochloride","CAS":"1185-53-1","CAS.Checksum":true,"DTXSID":"DTXSID4044373","Formula":"C4H12ClNO3","All.Compound.Names":"Tromethamine hydrochloride|Dtxsid4044373|1185-53-1","logHenry":-8.012,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.722,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.898,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6563,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.6,"MP.Reference":"EPA-CCD-OPERA","MW":157.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1185-53-1"}
{"Compound":"Trimethoxymethylsilane","CAS":"1185-55-3","CAS.Checksum":true,"DTXSID":"DTXSID3027370","Formula":"C4H12O3Si","All.Compound.Names":"Trimethoxymethylsilane|Dtxsid3027370","logHenry":-3.824,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.617,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.197,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4562,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.3618,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1185-55-3"}
{"Compound":"Mepranoprofen arbamel","CAS":"118635-52-2","CAS.Checksum":true,"DTXSID":"DTXSID4048852","Formula":"C20H22N2O4","All.Compound.Names":"Mepranoprofen arbamel|Dtxsid4048852|118635-52-2","logHenry":-8.753,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.726,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.009,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.212,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.1,"MP.Reference":"EPA-CCD-OPERA","MW":354.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118635-52-2"}
{"Compound":"Ipenoxazone hydrochloride","CAS":"118635-68-0","CAS.Checksum":true,"DTXSID":"DTXSID5057626","Formula":"C22H35ClN2O2","All.Compound.Names":"Ipenoxazone hydrochloride|Dtxsid5057626|118635-68-0","logHenry":-6.162,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8482,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.87,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.195,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.2,"MP.Reference":"EPA-CCD-OPERA","MW":395,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118635-68-0"}
{"Compound":"Tetraethylurea","CAS":"1187-03-7","CAS.Checksum":true,"DTXSID":"DTXSID5044522","Formula":"C9H20N2O","All.Compound.Names":"Tetraethylurea|Dtxsid5044522|1187-03-7","logHenry":-4.737,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.877,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.454,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6339,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.96,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1187-03-7"}
{"Compound":"Diaminomaleonitrile","CAS":"1187-42-4","CAS.Checksum":true,"DTXSID":"DTXSID0024923","Formula":"C4H4N4","All.Compound.Names":"Diaminomaleonitrile|Damn|Dtxsid0024923|1187-42-4","logHenry":-8.676,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5406,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.74,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.332,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.9,"MP.Reference":"EPA-CCD-OPERA","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1187-42-4"}
{"Compound":"Transfluthrin","CAS":"118712-89-3","CAS.Checksum":true,"DTXSID":"DTXSID4046812","Formula":"C15H12Cl2F4O2","All.Compound.Names":"Transfluthrin|Dtxsid4046812","logHenry":-8.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.462,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.808,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.06,"MP.Reference":"EPA-CCD-OPERA","MW":371.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118712-89-3"}
{"Compound":"Acetyl-l-leucine","CAS":"1188-21-2","CAS.Checksum":true,"DTXSID":"DTXSID6045870","Formula":"C8H15NO3","All.Compound.Names":"Acetyl-l-leucine|Dtxsid6045870|1188-21-2","logHenry":-9.21,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1794,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.66,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.318,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.9,"MP.Reference":"EPA-CCD-OPERA","MW":173.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1188-21-2"}
{"Compound":"N-acetyl-l-glutamic acid","CAS":"1188-37-0","CAS.Checksum":true,"DTXSID":"DTXSID3046534","Formula":"C7H11NO5","All.Compound.Names":"N-acetyl-l-glutamic acid|Dtxsid3046534|1188-37-0","logHenry":-9.843,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.546,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.864,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.9,"MP.Reference":"EPA-CCD-OPERA","MW":189.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1188-37-0"}
{"Compound":"N-carbamyl-l-glutamic acid","CAS":"1188-38-1","CAS.Checksum":true,"DTXSID":"DTXSID7046706","Formula":"C6H10N2O5","All.Compound.Names":"N-carbamyl-l-glutamic acid|Dtxsid7046706|1188-38-1","logHenry":-10.95,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.11,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.571,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.7,"MP.Reference":"EPA-CCD-OPERA","MW":190.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1188-38-1"}
{"Compound":"1,3-butyleneglycol dimethacrylate","CAS":"1189-08-8","CAS.Checksum":true,"DTXSID":"DTXSID5044784","Formula":"C12H18O4","All.Compound.Names":"1,3-butyleneglycol dimethacrylate|1-methyltrimethylene dimethacrylate|Dtxsid5044784","logHenry":-5.016,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.303,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.821,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.637,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.3,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1189-08-8"}
{"Compound":"Hydroxytacrine maleate","CAS":"118909-22-1","CAS.Checksum":true,"DTXSID":"DTXSID7045158","Formula":"C17H18N2O5","All.Compound.Names":"Hydroxytacrine maleate|9-amino-1,2,3,4-tetrahydroacridin-1-ol maleate|Dtxsid7045158|118909-22-1","logHenry":-8.477,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6866,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.465,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.673,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.5,"MP.Reference":"EPA-CCD-OPERA","MW":330.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118909-22-1"}
{"Compound":"Octyl decyl phthalate","CAS":"119-07-3","CAS.Checksum":true,"DTXSID":"DTXSID1047497","Formula":"C26H42O4","All.Compound.Names":"Octyl decyl phthalate|Dtxsid1047497","logHenry":-6.889,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.719,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.974,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.802,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.503,"MP.Reference":"EPA-CCD-OPERA","MW":418.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119-07-3"}
{"Compound":"1-methoxy-4-methyl-2-nitrobenzene","CAS":"119-10-8","CAS.Checksum":true,"DTXSID":"DTXSID3029152","Formula":"C8H9NO3","All.Compound.Names":"1-methoxy-4-methyl-2-nitrobenzene|Dtxsid3029152|119-10-8","logHenry":-5.043,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.79,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.687,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.9,"MP.Reference":"EPA-CCD-OPERA","MW":167.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119-10-8"}
{"Compound":"D-delta-tocopherol","CAS":"119-13-1","CAS.Checksum":true,"DTXSID":"DTXSID1046263","Formula":"C27H46O2","All.Compound.Names":"D-delta-tocopherol|Dtxsid1046263|119-13-1","logHenry":-7.189,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.476,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8976,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.746,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.81,"MP.Reference":"EPA-CCD-OPERA","MW":402.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119-13-1"}
{"Compound":"3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic acid","CAS":"119-17-5","CAS.Checksum":true,"DTXSID":"DTXSID0044785","Formula":"C10H10N2O4S","All.Compound.Names":"3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic acid|Dtxsid0044785|119-17-5","logHenry":-10,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.299,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.221,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7406,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.8,"MP.Reference":"EPA-CCD-OPERA","MW":254.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119-17-5"}
{"Compound":"2,4-dinitroanisole","CAS":"119-27-7","CAS.Checksum":true,"DTXSID":"DTXSID9041366","Formula":"C7H6N2O5","All.Compound.Names":"2,4-dinitroanisole|Dtxsid9041366|119-27-7","logHenry":-5.979,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.942,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.755,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.098,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.52,"MP.Reference":"EPA-CCD-OPERA","MW":198.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119-27-7"}
{"Compound":"4-methyl-3-nitroaniline","CAS":"119-32-4","CAS.Checksum":true,"DTXSID":"DTXSID7025633","Formula":"C7H8N2O2","All.Compound.Names":"4-methyl-3-nitroaniline|Dtxsid7025633|119-32-4","logHenry":-7.307,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.556,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.034,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.244,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.3,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119-32-4"}
{"Compound":"4-methyl-2-nitrophenol","CAS":"119-33-5","CAS.Checksum":true,"DTXSID":"DTXSID0026961","Formula":"C7H7NO3","All.Compound.Names":"4-methyl-2-nitrophenol|Dtxsid0026961|119-33-5","logHenry":-4.835,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.366,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.784,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.381,"logWSol.Reference":"EPA-CCD-OPERA","MP":36.74,"MP.Reference":"EPA-CCD-OPERA","MW":153.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119-33-5"}
{"Compound":"4-amino-2-nitrophenol","CAS":"119-34-6","CAS.Checksum":true,"DTXSID":"DTXSID6020064","Formula":"C6H6N2O3","All.Compound.Names":"4-amino-2-nitrophenol|Dtxsid6020064|119-34-6","logHenry":-7.381,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9625,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.869,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.85,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.8,"MP.Reference":"EPA-CCD-OPERA","MW":154.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119-34-6"}
{"Compound":"1(2h)-phthalazinone","CAS":"119-39-1","CAS.Checksum":true,"DTXSID":"DTXSID4025903","Formula":"C8H6N2O","All.Compound.Names":"1(2h)-phthalazinone|Dtxsid4025903|119-39-1","logHenry":-6.623,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7505,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.257,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.929,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.6,"MP.Reference":"EPA-CCD-OPERA","MW":146.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.63","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119-39-1"}
{"Compound":"4-hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid","CAS":"119-40-4","CAS.Checksum":true,"DTXSID":"DTXSID0044787","Formula":"C16H13NO4S","All.Compound.Names":"4-hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid|Dtxsid0044787|119-40-4","logHenry":-10.24,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.209,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.073,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.409,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.9,"MP.Reference":"EPA-CCD-OPERA","MW":315.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119-40-4"}
{"Compound":"Efloxate","CAS":"119-41-5","CAS.Checksum":true,"DTXSID":"DTXSID3048736","Formula":"C19H16O5","All.Compound.Names":"Efloxate|Dtxsid3048736","logHenry":-8.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.341,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.988,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.41,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.7,"MP.Reference":"EPA-CCD-OPERA","MW":324.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119-41-5"}
{"Compound":"Dimorpholamine","CAS":"119-48-2","CAS.Checksum":true,"DTXSID":"DTXSID5057628","Formula":"C20H38N4O4","All.Compound.Names":"Dimorpholamine|Dtxsid5057628|119-48-2","logHenry":-7.787,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.779,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.909,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.09371,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.56,"MP.Reference":"EPA-CCD-OPERA","MW":398.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119-48-2"}
{"Compound":"Benzoin","CAS":"119-53-9","CAS.Checksum":true,"DTXSID":"DTXSID1020144","Formula":"C14H12O2","All.Compound.Names":"Benzoin|Dtxsid1020144|119-53-9","logHenry":-9.644,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.133,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.488,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.851,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.9,"MP.Reference":"EPA-CCD-OPERA","MW":212.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119-53-9"}
{"Compound":"Tetralin","CAS":"119-64-2","CAS.Checksum":true,"DTXSID":"DTXSID1026118","Formula":"C10H12","All.Compound.Names":"Tetralin|Dtxsid1026118","logHenry":-2.576,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.491,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.517,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.458,"logWSol.Reference":"EPA-CCD-OPERA","MP":-35.47,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119-64-2"}
{"Compound":"Isoquinoline","CAS":"119-65-3","CAS.Checksum":true,"DTXSID":"DTXSID2047644","Formula":"C9H7N","All.Compound.Names":"Isoquinoline|Dtxsid2047644|119-65-3","logHenry":-5.062,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.081,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.127,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.457,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.93,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119-65-3"}
{"Compound":"2-nitrodiphenylamine","CAS":"119-75-5","CAS.Checksum":true,"DTXSID":"DTXSID4025749","Formula":"C12H10N2O2","All.Compound.Names":"2-nitrodiphenylamine|Dtxsid4025749|119-75-5","logHenry":-6.702,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.66,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.342,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.915,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.36,"MP.Reference":"EPA-CCD-OPERA","MW":214.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-3.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119-75-5"}
{"Compound":"3,4-dihydrocoumarin","CAS":"119-84-6","CAS.Checksum":true,"DTXSID":"DTXSID2020474","Formula":"C9H8O2","All.Compound.Names":"3,4-dihydrocoumarin|Dtxsid2020474","logHenry":-7.232,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.375,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.375,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.974,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.8,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119-84-6"}
{"Compound":"D-amphetamine-d3 hemisulfate","CAS":"119039-59-7","CAS.Checksum":true,"DTXSID":"DTXSID3047845","Formula":"C18H22D6N2O4S","All.Compound.Names":"D-amphetamine-d3 hemisulfate|Dtxsid3047845|119039-59-7","logHenry":-5.568,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6024,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.236,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8747,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.2,"MP.Reference":"EPA-CCD-OPERA","MW":374.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119039-59-7"}
{"Compound":"3,3-dimethylallyl acetate","CAS":"1191-16-8","CAS.Checksum":true,"DTXSID":"DTXSID9047128","Formula":"C7H12O2","All.Compound.Names":"3,3-dimethylallyl acetate|Dtxsid9047128","logHenry":-3.867,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.984,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.641,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.446,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.34,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1191-16-8"}
{"Compound":"Ethyl linolenate","CAS":"1191-41-9","CAS.Checksum":true,"DTXSID":"DTXSID6025307","Formula":"C20H34O2","All.Compound.Names":"Ethyl linolenate|Dtxsid6025307","logHenry":-6.6,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.006,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.678,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.869,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.79,"MP.Reference":"EPA-CCD-OPERA","MW":306.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1191-41-9"}
{"Compound":"Sodium myristyl sulfate","CAS":"1191-50-0","CAS.Checksum":true,"DTXSID":"DTXSID4042416","Formula":"C14H29NaO4S","All.Compound.Names":"Sodium myristyl sulfate|Dtxsid4042416|1191-50-0","logHenry":-6.848,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.536,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.012,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.726,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.6,"MP.Reference":"EPA-CCD-OPERA","MW":316.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1191-50-0"}
{"Compound":"1,8-octanedithiol","CAS":"1191-62-4","CAS.Checksum":true,"DTXSID":"DTXSID8047474","Formula":"C8H18S2","All.Compound.Names":"1,8-octanedithiol|Dtxsid8047474|1191-62-4","logHenry":-4.05,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.826,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.186,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.684,"logWSol.Reference":"EPA-CCD-OPERA","MP":-70.38,"MP.Reference":"EPA-CCD-OPERA","MW":178.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1191-62-4"}
{"Compound":"1-methyl-3-propylimidazolium iodide","CAS":"119171-18-5","CAS.Checksum":true,"DTXSID":"DTXSID3049207","Formula":"C7H13IN2","All.Compound.Names":"1-methyl-3-propylimidazolium iodide|Dtxsid3049207|119171-18-5","logHenry":-2.053,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.027,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.351,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3461,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.6,"MP.Reference":"EPA-CCD-OPERA","MW":252.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119171-18-5"}
{"Compound":"Pharmagsid_48521","CAS":"1191914-21-2","CAS.Checksum":true,"DTXSID":"DTXSID8048521","Formula":"C31H49N5O4","All.Compound.Names":"Pharmagsid_48521|Dtxsid8048521|1191914-21-2","logHenry":-7.386,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.036,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.638,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.297,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.8,"MP.Reference":"EPA-CCD-OPERA","MW":555.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1191914-21-2"}
{"Compound":"Cyclopentanone oxime","CAS":"1192-28-5","CAS.Checksum":true,"DTXSID":"DTXSID0020363","Formula":"C5H9NO","All.Compound.Names":"Cyclopentanone oxime|Dtxsid0020363|1192-28-5","logHenry":-6.174,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9267,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.367,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.083,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.8,"MP.Reference":"EPA-CCD-OPERA","MW":99.13,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1192-28-5"}
{"Compound":"4,5-dichloro-3h-1,2-dithiol-3-one","CAS":"1192-52-5","CAS.Checksum":true,"DTXSID":"DTXSID6032518","Formula":"C3Cl2OS2","All.Compound.Names":"4,5-dichloro-3h-1,2-dithiol-3-one|Dtxsid6032518","logHenry":-2.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.722,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.352,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.746,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.5,"MP.Reference":"EPA-CCD-OPERA","MW":187,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1192-52-5"}
{"Compound":"3-methyl-2-cyclohexen-1-one","CAS":"1193-18-6","CAS.Checksum":true,"DTXSID":"DTXSID8035186","Formula":"C7H10O","All.Compound.Names":"3-methyl-2-cyclohexen-1-one|Dtxsid8035186","logHenry":-4.877,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7692,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.196,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.184,"logWSol.Reference":"EPA-CCD-OPERA","MP":-20.76,"MP.Reference":"EPA-CCD-OPERA","MW":110.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1193-18-6"}
{"Compound":"1-cyclohexylethanol","CAS":"1193-81-3","CAS.Checksum":true,"DTXSID":"DTXSID7047643","Formula":"C8H16O","All.Compound.Names":"1-cyclohexylethanol|Dtxsid7047643|1193-81-3","logHenry":-4.879,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.295,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.608,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.551,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.68,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1193-81-3"}
{"Compound":"Rocuronium bromide","CAS":"119302-91-9","CAS.Checksum":true,"DTXSID":"DTXSID7023566","Formula":"C32H53BrN2O4","All.Compound.Names":"Rocuronium bromide|Dtxsid7023566|119302-91-9","logHenry":-8.602,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.076,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.142,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.796,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.7,"MP.Reference":"EPA-CCD-OPERA","MW":609.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119302-91-9"}
{"Compound":"2-benzyl-2-(dimethylamino)-1-[4-(morpholin-4-yl)phenyl]butan-1-one","CAS":"119313-12-1","CAS.Checksum":true,"DTXSID":"DTXSID5044786","Formula":"C23H30N2O2","All.Compound.Names":"2-benzyl-2-(dimethylamino)-1-[4-(morpholin-4-yl)phenyl]butan-1-one|Dtxsid5044786|119313-12-1","logHenry":-6.965,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.061,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.652,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.577,"logWSol.Reference":"EPA-CCD-OPERA","MP":107.2,"MP.Reference":"EPA-CCD-OPERA","MW":366.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119313-12-1"}
{"Compound":"Vardenafil citrate","CAS":"1193386-64-9","CAS.Checksum":true,"DTXSID":"DTXSID0046696","Formula":"C29H40N6O11S","All.Compound.Names":"Vardenafil citrate|Dtxsid0046696|1193386-64-9","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8368,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.472,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.266,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.8,"MP.Reference":"EPA-CCD-OPERA","MW":680.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1193386-64-9"}
{"Compound":"Dapoxetine","CAS":"119356-77-3","CAS.Checksum":true,"DTXSID":"DTXSID0057627","Formula":"C21H23NO","All.Compound.Names":"Dapoxetine|Dtxsid0057627|119356-77-3","logHenry":-6.011,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.726,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.124,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.938,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.68,"MP.Reference":"EPA-CCD-OPERA","MW":305.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119356-77-3"}
{"Compound":"Topotecan hydrochloride","CAS":"119413-54-6","CAS.Checksum":true,"DTXSID":"DTXSID1045952","Formula":"C23H24ClN3O5","All.Compound.Names":"Topotecan hydrochloride|Dtxsid1045952|119413-54-6","logHenry":-9.434,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5116,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.149,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.673,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.5,"MP.Reference":"EPA-CCD-OPERA","MW":457.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119413-54-6"}
{"Compound":"Eliprodil","CAS":"119431-25-3","CAS.Checksum":true,"DTXSID":"DTXSID1045744","Formula":"C20H23ClFNO","All.Compound.Names":"Eliprodil|Dtxsid1045744|119431-25-3","logHenry":-8.266,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.533,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.14,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.879,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.6,"MP.Reference":"EPA-CCD-OPERA","MW":347.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119431-25-3"}
{"Compound":"Citiolone","CAS":"1195-16-0","CAS.Checksum":true,"DTXSID":"DTXSID0045888","Formula":"C6H9NO2S","All.Compound.Names":"Citiolone|Dtxsid0045888|1195-16-0","logHenry":-8.719,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3522,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.863,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8403,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.51,"MP.Reference":"EPA-CCD-OPERA","MW":159.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1195-16-0"}
{"Compound":"Alpha-fenchone","CAS":"1195-79-5","CAS.Checksum":true,"DTXSID":"DTXSID9025324","Formula":"C10H16O","All.Compound.Names":"Alpha-fenchone|Dtxsid9025324","logHenry":-4.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.517,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.851,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.46,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1195-79-5"}
{"Compound":"L-verbenone","CAS":"1196-01-6","CAS.Checksum":true,"DTXSID":"DTXSID9035620","Formula":"C10H14O","All.Compound.Names":"L-verbenone|Pin-2-en-4-one|Dtxsid9035620|(1s,5s)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one","logHenry":-4.561,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.23,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.748,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.922,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.02,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1196-01-6"}
{"Compound":"Olprinone hydrochloride","CAS":"119615-63-3","CAS.Checksum":true,"DTXSID":"DTXSID7045813","Formula":"C14H11ClN4O","All.Compound.Names":"Olprinone hydrochloride|Dtxsid7045813|119615-63-3","logHenry":-8.265,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6308,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.09,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.319,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.8,"MP.Reference":"EPA-CCD-OPERA","MW":286.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119615-63-3"}
{"Compound":"P-cymen-8-ol","CAS":"1197-01-9","CAS.Checksum":true,"DTXSID":"DTXSID0024890","Formula":"C10H14O","All.Compound.Names":"P-cymen-8-ol|Dtxsid0024890|1197-01-9","logHenry":-6.074,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.616,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.336,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.128,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.46,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1197-01-9"}
{"Compound":"Sb 206553 hydrochloride","CAS":"1197334-04-5","CAS.Checksum":true,"DTXSID":"DTXSID4042622","Formula":"C17H17ClN4O","All.Compound.Names":"Sb 206553 hydrochloride|Dtxsid4042622|1197334-04-5","logHenry":-8.681,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.04077,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.54,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.198,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.4,"MP.Reference":"EPA-CCD-OPERA","MW":328.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1197334-04-5"}
{"Compound":"Sodium urate","CAS":"1198-77-2","CAS.Checksum":true,"DTXSID":"DTXSID8046828","Formula":"C5H3N4NaO3","All.Compound.Names":"Sodium urate|Monosodium urate|Dtxsid8046828|1198-77-2","logHenry":-8.502,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.291,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.825,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.424,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.9,"MP.Reference":"EPA-CCD-OPERA","MW":190.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.27","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1198-77-2"}
{"Compound":"N-phenyldiethanolamine","CAS":"120-07-0","CAS.Checksum":true,"DTXSID":"DTXSID5021962","Formula":"C10H15NO2","All.Compound.Names":"N-phenyldiethanolamine|N-phenyl diethanolamine|Dtxsid5021962|120-07-0","logHenry":-9.078,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9928,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.086,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7342,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.03,"MP.Reference":"EPA-CCD-OPERA","MW":181.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-07-0"}
{"Compound":"Veratraldehyde","CAS":"120-14-9","CAS.Checksum":true,"DTXSID":"DTXSID7026285","Formula":"C9H10O3","All.Compound.Names":"Veratraldehyde|Dtxsid7026285","logHenry":-5.811,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.222,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.466,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.441,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.15,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-14-9"}
{"Compound":"Naphthalene-2-sulfonic acid","CAS":"120-18-3","CAS.Checksum":true,"DTXSID":"DTXSID5044788","Formula":"C10H8O3S","All.Compound.Names":"Naphthalene-2-sulfonic acid|Dtxsid5044788|120-18-3","logHenry":-6.985,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6288,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.163,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.511,"logWSol.Reference":"EPA-CCD-OPERA","MP":91.01,"MP.Reference":"EPA-CCD-OPERA","MW":208.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-18-3"}
{"Compound":"4-(diethylamino)benzaldehyde","CAS":"120-21-8","CAS.Checksum":true,"DTXSID":"DTXSID0021963","Formula":"C11H15NO","All.Compound.Names":"4-(diethylamino)benzaldehyde|Dtxsid0021963|120-21-8","logHenry":-3.911,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.398,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.273,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.042,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.89,"MP.Reference":"EPA-CCD-OPERA","MW":177.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-21-8"}
{"Compound":"2-naphthoxyacetic acid","CAS":"120-23-0","CAS.Checksum":true,"DTXSID":"DTXSID2042195","Formula":"C12H10O3","All.Compound.Names":"2-naphthoxyacetic acid|Dtxsid2042195|120-23-0","logHenry":-8.783,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.532,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.272,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.001,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.3,"MP.Reference":"EPA-CCD-OPERA","MW":202.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-23-0"}
{"Compound":"3-ethylamino-4-methylphenol","CAS":"120-37-6","CAS.Checksum":true,"DTXSID":"DTXSID7025269","Formula":"C9H13NO","All.Compound.Names":"3-ethylamino-4-methylphenol|Dtxsid7025269|120-37-6","logHenry":-7.021,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.936,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.904,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.462,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.26,"MP.Reference":"EPA-CCD-OPERA","MW":151.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-37-6"}
{"Compound":"N,n-bis(2-hydroxyethyl)dodecanamide","CAS":"120-40-1","CAS.Checksum":true,"DTXSID":"DTXSID5025491","Formula":"C16H33NO3","All.Compound.Names":"N,n-bis(2-hydroxyethyl)dodecanamide|Dtxsid5025491|120-40-1","logHenry":-8.976,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.604,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.611,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.289,"logWSol.Reference":"EPA-CCD-OPERA","MP":33.16,"MP.Reference":"EPA-CCD-OPERA","MW":287.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-40-1"}
{"Compound":"1-phenylethyl propionate","CAS":"120-45-6","CAS.Checksum":true,"DTXSID":"DTXSID9047091","Formula":"C11H14O2","All.Compound.Names":"1-phenylethyl propionate|Dtxsid9047091","logHenry":-4.126,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.12,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.749,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.883,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.22,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-45-6"}
{"Compound":"1,3-diphenyl-1,3-propanedione","CAS":"120-46-7","CAS.Checksum":true,"DTXSID":"DTXSID3041247","Formula":"C15H12O2","All.Compound.Names":"1,3-diphenyl-1,3-propanedione|Dtxsid3041247","logHenry":-6.753,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.055,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.125,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.101,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.86,"MP.Reference":"EPA-CCD-OPERA","MW":224.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-46-7"}
{"Compound":"Isobutyl benzoate","CAS":"120-50-3","CAS.Checksum":true,"DTXSID":"DTXSID6047074","Formula":"C11H14O2","All.Compound.Names":"Isobutyl benzoate|Dtxsid6047074","logHenry":-4.106,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.296,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.574,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.959,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.4,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-50-3"}
{"Compound":"Benzyl benzoate","CAS":"120-51-4","CAS.Checksum":true,"DTXSID":"DTXSID8029153","Formula":"C14H12O2","All.Compound.Names":"Benzyl benzoate|Dtxsid8029153","logHenry":-7.481,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.968,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.488,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.14,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.66,"MP.Reference":"EPA-CCD-OPERA","MW":212.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-51-4"}
{"Compound":"Triethylene glycol dibenzoate","CAS":"120-56-9","CAS.Checksum":true,"DTXSID":"DTXSID7029611","Formula":"C20H22O6","All.Compound.Names":"Triethylene glycol dibenzoate|Ethylenebis(oxyethylene) dibenzoate|Dtxsid7029611","logHenry":-7.315,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.834,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.629,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.199,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.17,"MP.Reference":"EPA-CCD-OPERA","MW":358.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-56-9"}
{"Compound":"Piperonal","CAS":"120-57-0","CAS.Checksum":true,"DTXSID":"DTXSID7025924","Formula":"C8H6O3","All.Compound.Names":"Piperonal|Dtxsid7025924","logHenry":-6.607,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.05,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.183,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.632,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.08,"MP.Reference":"EPA-CCD-OPERA","MW":150.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-57-0"}
{"Compound":"Isosafrole","CAS":"120-58-1","CAS.Checksum":true,"DTXSID":"DTXSID2020767","Formula":"C10H10O2","All.Compound.Names":"Isosafrole|Dtxsid2020767","logHenry":-3.962,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.04,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.835,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.001,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.301,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-58-1"}
{"Compound":"Dimethyl terephthalate","CAS":"120-61-6","CAS.Checksum":true,"DTXSID":"DTXSID0020498","Formula":"C10H10O4","All.Compound.Names":"Dimethyl terephthalate|Dtxsid0020498","logHenry":-7.118,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.245,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.473,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.994,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.9,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-61-6"}
{"Compound":"Piperonyl sulfoxide","CAS":"120-62-7","CAS.Checksum":true,"DTXSID":"DTXSID1021168","Formula":"C18H28O3S","All.Compound.Names":"Piperonyl sulfoxide|Dtxsid1021168","logHenry":-5.279,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.056,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.477,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.151,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.4,"MP.Reference":"EPA-CCD-OPERA","MW":324.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-62-7"}
{"Compound":"2-((dimethylamino)methyl)phenol","CAS":"120-65-0","CAS.Checksum":true,"DTXSID":"DTXSID3041293","Formula":"C9H13NO","All.Compound.Names":"2-((dimethylamino)methyl)phenol|Dtxsid3041293|120-65-0","logHenry":-6.647,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.697,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.925,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.676,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.35,"MP.Reference":"EPA-CCD-OPERA","MW":151.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-65-0"}
{"Compound":"N-acetyl-o-toluidine","CAS":"120-66-1","CAS.Checksum":true,"DTXSID":"DTXSID1024413","Formula":"C9H11NO","All.Compound.Names":"N-acetyl-o-toluidine|Dtxsid1024413|120-66-1","logHenry":-8.43,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8617,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.634,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.957,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.9,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-66-1"}
{"Compound":"Indole","CAS":"120-72-9","CAS.Checksum":true,"DTXSID":"DTXSID0020737","Formula":"C8H7N","All.Compound.Names":"Indole|Dtxsid0020737|120-72-9","logHenry":-5.595,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.141,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.323,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.521,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.82,"MP.Reference":"EPA-CCD-OPERA","MW":117.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"57.5,25.5,130","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"120-72-9"}
{"Compound":"2-methylbenzothiazole","CAS":"120-75-2","CAS.Checksum":true,"DTXSID":"DTXSID8049208","Formula":"C8H7NS","All.Compound.Names":"2-methylbenzothiazole|Dtxsid8049208|120-75-2","logHenry":-5.079,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.466,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.349,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.571,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.12,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-75-2"}
{"Compound":"2,2'-dithiobisbenzothiazole","CAS":"120-78-5","CAS.Checksum":true,"DTXSID":"DTXSID1020146","Formula":"C14H8N2S4","All.Compound.Names":"2,2'-dithiobisbenzothiazole|Dtxsid1020146|120-78-5","logHenry":-5.157,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.37,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.338,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.524,"logWSol.Reference":"EPA-CCD-OPERA","MP":180,"MP.Reference":"EPA-CCD-OPERA","MW":332.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-78-5"}
{"Compound":"Cyclopentanone","CAS":"120-92-3","CAS.Checksum":true,"DTXSID":"DTXSID3029154","Formula":"C5H8O","All.Compound.Names":"Cyclopentanone|Dtxsid3029154","logHenry":-4.996,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3811,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.262,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2062,"logWSol.Reference":"EPA-CCD-OPERA","MP":-51.4,"MP.Reference":"EPA-CCD-OPERA","MW":84.12,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-92-3"}
{"Compound":"Ethylene urea","CAS":"120-93-4","CAS.Checksum":true,"DTXSID":"DTXSID0020602","Formula":"C3H6N2O","All.Compound.Names":"Ethylene urea|Dtxsid0020602|120-93-4","logHenry":-6.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.104,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.695,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2894,"logWSol.Reference":"EPA-CCD-OPERA","MP":131,"MP.Reference":"EPA-CCD-OPERA","MW":86.09,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-93-4"}
{"Compound":"N-methylpyrrolidine","CAS":"120-94-5","CAS.Checksum":true,"DTXSID":"DTXSID8042210","Formula":"C5H11N","All.Compound.Names":"N-methylpyrrolidine|Dtxsid8042210|120-94-5","logHenry":-4.52,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9204,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.534,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4344,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.182,"MP.Reference":"EPA-CCD-OPERA","MW":85.15,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-94-5"}
{"Compound":"2,4-bis(2-methylbutan-2-yl)phenol","CAS":"120-95-6","CAS.Checksum":true,"DTXSID":"DTXSID9026974","Formula":"C16H26O","All.Compound.Names":"2,4-bis(2-methylbutan-2-yl)phenol|2,4-di-tert-pentylphenol|Dtxsid9026974|120-95-6","logHenry":-5.026,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.283,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.171,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.721,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.36,"MP.Reference":"EPA-CCD-OPERA","MW":234.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-95-6"}
{"Compound":"Dichlorphenamide","CAS":"120-97-8","CAS.Checksum":true,"DTXSID":"DTXSID1022922","Formula":"C6H6Cl2N2O4S2","All.Compound.Names":"Dichlorphenamide|Dtxsid1022922|120-97-8","logHenry":-9.703,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8676,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.268,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.755,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.7,"MP.Reference":"EPA-CCD-OPERA","MW":305.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-97-8"}
{"Compound":"Donepezil hydrochloride","CAS":"120011-70-3","CAS.Checksum":true,"DTXSID":"DTXSID0046698","Formula":"C24H30ClNO3","All.Compound.Names":"Donepezil hydrochloride|Dtxsid0046698|120011-70-3","logHenry":-6.841,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.874,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.826,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.764,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.9,"MP.Reference":"EPA-CCD-OPERA","MW":416,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120011-70-3"}
{"Compound":"Gadoteridol","CAS":"120066-54-8","CAS.Checksum":true,"DTXSID":"DTXSID2048662","Formula":"C17H29GdN4O7","All.Compound.Names":"Gadoteridol|Dtxsid2048662|120066-54-8","logHenry":-10.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.011,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.43,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4194,"logWSol.Reference":"EPA-CCD-OPERA","MP":151,"MP.Reference":"EPA-CCD-OPERA","MW":558.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120066-54-8"}
{"Compound":"Goralatide","CAS":"120081-14-3","CAS.Checksum":true,"DTXSID":"DTXSID0057629","Formula":"C20H33N5O9","All.Compound.Names":"Goralatide|Dtxsid0057629|120081-14-3","logHenry":-10.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.11,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.67,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.06056,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.9,"MP.Reference":"EPA-CCD-OPERA","MW":487.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120081-14-3"}
{"Compound":"Unoprostone isopropyl ester","CAS":"120373-24-2","CAS.Checksum":true,"DTXSID":"DTXSID5049071","Formula":"C25H44O5","All.Compound.Names":"Unoprostone isopropyl ester|Dtxsid5049071|120373-24-2","logHenry":-8.806,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.507,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.032,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.798,"logWSol.Reference":"EPA-CCD-OPERA","MP":121,"MP.Reference":"EPA-CCD-OPERA","MW":424.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120373-24-2"}
{"Compound":"Alpha-methyl-3,4-methylene-dioxyhydrocinnamic aldehyde","CAS":"1205-17-0","CAS.Checksum":true,"DTXSID":"DTXSID7043908","Formula":"C11H12O3","All.Compound.Names":"Alpha-methyl-3,4-methylene-dioxyhydrocinnamic aldehyde|3-(3,4-methylenedioxyphenyl)-2-methylpropanal|Dtxsid7043908","logHenry":-4.987,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.896,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.824,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.171,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.4,"MP.Reference":"EPA-CCD-OPERA","MW":192.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1205-17-0"}
{"Compound":"3-methyl-n-phenylaniline","CAS":"1205-64-7","CAS.Checksum":true,"DTXSID":"DTXSID9044790","Formula":"C13H13N","All.Compound.Names":"3-methyl-n-phenylaniline|Dtxsid9044790|1205-64-7","logHenry":-7.136,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.369,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.174,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.671,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.49,"MP.Reference":"EPA-CCD-OPERA","MW":183.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1205-64-7"}
{"Compound":"Anastrozole","CAS":"120511-73-1","CAS.Checksum":true,"DTXSID":"DTXSID9022607","Formula":"C17H19N5","All.Compound.Names":"Anastrozole|120511-73-1|Dtxsid9022607","logHenry":-5.409,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.676,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.7,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.38,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.3,"MP.Reference":"EPA-CCD-OPERA","MW":293.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.8,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"120511-73-1"}
{"Compound":"Bromfenac sodium sesquihydrate","CAS":"120638-55-3","CAS.Checksum":true,"DTXSID":"DTXSID8044206","Formula":"C30H28Br2N2Na2O9","All.Compound.Names":"Bromfenac sodium sesquihydrate|Dtxsid8044206|120638-55-3","logHenry":-9.627,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.068,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.41,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.231,"logWSol.Reference":"EPA-CCD-OPERA","MP":251.6,"MP.Reference":"EPA-CCD-OPERA","MW":766.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120638-55-3"}
{"Compound":"(-)-metazocine fumarate (1:1)","CAS":"120693-79-0","CAS.Checksum":true,"DTXSID":"DTXSID6048911","Formula":"C19H25NO5","All.Compound.Names":"(-)-metazocine fumarate (1:1)|Dtxsid6048911|120693-79-0","logHenry":-6.547,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6682,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.757,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.58,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.1,"MP.Reference":"EPA-CCD-OPERA","MW":347.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120693-79-0"}
{"Compound":"4,6-dimethyldibenzothiophene","CAS":"1207-12-1","CAS.Checksum":true,"DTXSID":"DTXSID6052740","Formula":"C14H12S","All.Compound.Names":"4,6-dimethyldibenzothiophene|Dtxsid6052740","logHenry":-4.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.006,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.169,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.269,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.81,"MP.Reference":"EPA-CCD-OPERA","MW":212.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1207-12-1"}
{"Compound":"Linotroban","CAS":"120824-08-0","CAS.Checksum":true,"DTXSID":"DTXSID4046103","Formula":"C14H15NO5S2","All.Compound.Names":"Linotroban|Dtxsid4046103|120824-08-0","logHenry":-8.146,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.819,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.413,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.594,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.8,"MP.Reference":"EPA-CCD-OPERA","MW":341.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120824-08-0"}
{"Compound":"Bis(cyclopentadienyl)vanadium chloride","CAS":"12083-48-6","CAS.Checksum":true,"DTXSID":"DTXSID2024616","Formula":"C10H10Cl2V","All.Compound.Names":"Bis(cyclopentadienyl)vanadium chloride|Vanadocene dichloride","MW":252,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"12083-48-6"}
{"Compound":"Fenazaquin","CAS":"120928-09-8","CAS.Checksum":true,"DTXSID":"DTXSID4040476","Formula":"C20H22N2O","All.Compound.Names":"Fenazaquin|Dtxsid4040476|120928-09-8","logHenry":-5.871,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.506,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.813,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.311,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.58,"MP.Reference":"EPA-CCD-OPERA","MW":306.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120928-09-8"}
{"Compound":"Dalcotidine","CAS":"120958-90-9","CAS.Checksum":true,"DTXSID":"DTXSID4048806","Formula":"C18H29N3O2","All.Compound.Names":"Dalcotidine|Dtxsid4048806|120958-90-9","logHenry":-8.765,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.812,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.619,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.099,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.9,"MP.Reference":"EPA-CCD-OPERA","MW":319.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120958-90-9"}
{"Compound":"Pyrasulfotole metabolite (sxx 0665)","CAS":"120983-64-4","CAS.Checksum":true,"DTXSID":"DTXSID3044338","Formula":"C14H15Cl2N3O","All.Compound.Names":"Pyrasulfotole metabolite (sxx 0665)|2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1h-1,2,4-triazol-1-yl)-2-propanol|Dtxsid3044338|120983-64-4","logHenry":-6.864,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.081,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.696,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.942,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.6,"MP.Reference":"EPA-CCD-OPERA","MW":312.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120983-64-4"}
{"Compound":"2-methyl-5-nitrobenzenesulfonic acid","CAS":"121-03-9","CAS.Checksum":true,"DTXSID":"DTXSID4026975","Formula":"C7H7NO5S","All.Compound.Names":"2-methyl-5-nitrobenzenesulfonic acid|Dtxsid4026975|121-03-9","logHenry":-8.197,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.951,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.654,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4869,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.9,"MP.Reference":"EPA-CCD-OPERA","MW":217.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-03-9"}
{"Compound":"1-chloro-2-nitro-4-(trifluoromethyl)benzene","CAS":"121-17-5","CAS.Checksum":true,"DTXSID":"DTXSID2024799","Formula":"C7H3ClF3NO2","All.Compound.Names":"1-chloro-2-nitro-4-(trifluoromethyl)benzene|4-chloro-3-nitrobenzotrifluoride|Dtxsid2024799","logHenry":-2.99,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.844,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.603,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.493,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.351,"MP.Reference":"EPA-CCD-OPERA","MW":225.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-17-5"}
{"Compound":"4-hydroxy-3-nitrophenylarsonic acid","CAS":"121-19-7","CAS.Checksum":true,"DTXSID":"DTXSID9020956","Formula":"C6H6AsNO6","All.Compound.Names":"4-hydroxy-3-nitrophenylarsonic acid","MW":263,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-19-7"}
{"Compound":"3-ethoxy-4-hydroxybenzaldehyde","CAS":"121-32-4","CAS.Checksum":true,"DTXSID":"DTXSID5021968","Formula":"C9H10O3","All.Compound.Names":"3-ethoxy-4-hydroxybenzaldehyde|Dtxsid5021968|121-32-4","logHenry":-8.718,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.593,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.177,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.769,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.96,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-32-4"}
{"Compound":"Ethyl 3-phenylglycidate","CAS":"121-39-1","CAS.Checksum":true,"DTXSID":"DTXSID8025886","Formula":"C11H12O3","All.Compound.Names":"Ethyl 3-phenylglycidate|Ethyl 2,3-epoxy-3-phenylpropionate|Dtxsid8025886","logHenry":-6.685,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.93,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.89,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.77,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.76,"MP.Reference":"EPA-CCD-OPERA","MW":192.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-39-1"}
{"Compound":"Triethylamine","CAS":"121-44-8","CAS.Checksum":true,"DTXSID":"DTXSID3024366","Formula":"C6H15N","All.Compound.Names":"Triethylamine|Dtxsid3024366|121-44-8","logHenry":-3.829,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.451,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.717,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1368,"logWSol.Reference":"EPA-CCD-OPERA","MP":-114.9,"MP.Reference":"EPA-CCD-OPERA","MW":101.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-44-8"}
{"Compound":"Trimethyl phosphite","CAS":"121-45-9","CAS.Checksum":true,"DTXSID":"DTXSID4026979","Formula":"C3H9O3P","All.Compound.Names":"Trimethyl phosphite|Dtxsid4026979","logHenry":-6.575,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1991,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01235,"logWSol.Reference":"EPA-CCD-OPERA","MP":-62.25,"MP.Reference":"EPA-CCD-OPERA","MW":124.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-45-9"}
{"Compound":"3-aminobenzenesulfonic acid","CAS":"121-47-1","CAS.Checksum":true,"DTXSID":"DTXSID6024462","Formula":"C6H7NO3S","All.Compound.Names":"3-aminobenzenesulfonic acid|Dtxsid6024462|121-47-1","logHenry":-8.369,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.991,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.918,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.136,"logWSol.Reference":"EPA-CCD-OPERA","MP":193,"MP.Reference":"EPA-CCD-OPERA","MW":173.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-47-1"}
{"Compound":"Benzethonium chloride","CAS":"121-54-0","CAS.Checksum":true,"DTXSID":"DTXSID6023810","Formula":"C27H42ClNO2","All.Compound.Names":"Benzethonium chloride|Dtxsid6023810|121-54-0","logHenry":-6.164,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.48,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.79,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.2,"MP.Reference":"EPA-CCD-OPERA","MW":448.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-54-0"}
{"Compound":"Carbarsone","CAS":"121-59-5","CAS.Checksum":true,"DTXSID":"DTXSID4020246","Formula":"C7H9AsN2O4","All.Compound.Names":"Carbarsone","MW":260.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-59-5"}
{"Compound":"Benzenesulfonyl chloride, 4-(acetylamino)-","CAS":"121-60-8","CAS.Checksum":true,"DTXSID":"DTXSID8026981","Formula":"C8H8ClNO3S","All.Compound.Names":"Benzenesulfonyl chloride, 4-(acetylamino)-|4-(acetylamino)benzenesulfonyl chloride|Dtxsid8026981|121-60-8","logHenry":-9.785,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.426,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.185,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.932,"logWSol.Reference":"EPA-CCD-OPERA","MP":149,"MP.Reference":"EPA-CCD-OPERA","MW":233.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-60-8"}
{"Compound":"4'-sulfamylacetanilide","CAS":"121-61-9","CAS.Checksum":true,"DTXSID":"DTXSID4041529","Formula":"C8H10N2O3S","All.Compound.Names":"4'-sulfamylacetanilide|Dtxsid4041529|121-61-9","logHenry":-10.42,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.03993,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.175,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.609,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.3,"MP.Reference":"EPA-CCD-OPERA","MW":214.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-61-9"}
{"Compound":"2-amino-5-nitrothiazole","CAS":"121-66-4","CAS.Checksum":true,"DTXSID":"DTXSID6020066","Formula":"C3H3N3O2S","All.Compound.Names":"2-amino-5-nitrothiazole|2-amino-5-nitro-1,3-thiazole|Dtxsid6020066|121-66-4","logHenry":-7.015,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8294,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.194,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.808,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.6,"MP.Reference":"EPA-CCD-OPERA","MW":145.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-66-4"}
{"Compound":"N,n-dimethylaniline","CAS":"121-69-7","CAS.Checksum":true,"DTXSID":"DTXSID2020507","Formula":"C8H11N","All.Compound.Names":"N,n-dimethylaniline|Dtxsid2020507|121-69-7","logHenry":-5.089,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.311,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.12,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.917,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.923,"MP.Reference":"EPA-CCD-OPERA","MW":121.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-69-7"}
{"Compound":"N,n,3-trimethylaniline","CAS":"121-72-2","CAS.Checksum":true,"DTXSID":"DTXSID9051618","Formula":"C9H13N","All.Compound.Names":"N,n,3-trimethylaniline|Dtxsid9051618|121-72-2","logHenry":-3.953,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.799,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.062,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.3,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.3,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-72-2"}
{"Compound":"1-chloro-3-nitrobenzene","CAS":"121-73-3","CAS.Checksum":true,"DTXSID":"DTXSID4021971","Formula":"C6H4ClNO2","All.Compound.Names":"1-chloro-3-nitrobenzene|Dtxsid4021971","logHenry":-4.874,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.465,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.856,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.768,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.28,"MP.Reference":"EPA-CCD-OPERA","MW":157.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-73-3"}
{"Compound":"Nitromide","CAS":"121-81-3","CAS.Checksum":true,"DTXSID":"DTXSID0045836","Formula":"C7H5N3O5","All.Compound.Names":"Nitromide|Dtxsid0045836|121-81-3","logHenry":-8.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8303,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.224,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.84,"logWSol.Reference":"EPA-CCD-OPERA","MP":184,"MP.Reference":"EPA-CCD-OPERA","MW":211.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-81-3"}
{"Compound":"2-chloro-1-methyl-4-nitrobenzene","CAS":"121-86-8","CAS.Checksum":true,"DTXSID":"DTXSID3026984","Formula":"C7H6ClNO2","All.Compound.Names":"2-chloro-1-methyl-4-nitrobenzene|Dtxsid3026984","logHenry":-5.021,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.901,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.106,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.323,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.19,"MP.Reference":"EPA-CCD-OPERA","MW":171.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-86-8"}
{"Compound":"2-chloro-4-nitroaniline","CAS":"121-87-9","CAS.Checksum":true,"DTXSID":"DTXSID4021973","Formula":"C6H5ClN2O2","All.Compound.Names":"2-chloro-4-nitroaniline|Dtxsid4021973|121-87-9","logHenry":-8.023,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.141,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.574,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.582,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.1,"MP.Reference":"EPA-CCD-OPERA","MW":172.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-87-9"}
{"Compound":"2-amino-5-nitrophenol","CAS":"121-88-0","CAS.Checksum":true,"DTXSID":"DTXSID1020063","Formula":"C6H6N2O3","All.Compound.Names":"2-amino-5-nitrophenol|Dtxsid1020063|121-88-0","logHenry":-8.237,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.337,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.511,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.353,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.3,"MP.Reference":"EPA-CCD-OPERA","MW":154.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-88-0"}
{"Compound":"3-nitroacetophenone","CAS":"121-89-1","CAS.Checksum":true,"DTXSID":"DTXSID1025722","Formula":"C8H7NO3","All.Compound.Names":"3-nitroacetophenone|Dtxsid1025722|121-89-1","logHenry":-6.476,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.42,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.838,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.061,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.64,"MP.Reference":"EPA-CCD-OPERA","MW":165.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-89-1"}
{"Compound":"3-nitrobenzoyl chloride","CAS":"121-90-4","CAS.Checksum":true,"DTXSID":"DTXSID9025740","Formula":"C7H4ClNO3","All.Compound.Names":"3-nitrobenzoyl chloride|Dtxsid9025740|121-90-4","logHenry":-6.523,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.032,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.762,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.156,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.25,"MP.Reference":"EPA-CCD-OPERA","MW":185.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-90-4"}
{"Compound":"1,3-benzenedicarboxylic acid","CAS":"121-91-5","CAS.Checksum":true,"DTXSID":"DTXSID3021485","Formula":"C8H6O4","All.Compound.Names":"1,3-benzenedicarboxylic acid|Dtxsid3021485|121-91-5","logHenry":-10,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.652,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.187,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.155,"logWSol.Reference":"EPA-CCD-OPERA","MP":346.2,"MP.Reference":"EPA-CCD-OPERA","MW":166.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Clint":"1.44","Rat.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"121-91-5"}
{"Compound":"3-nitrobenzoic acid","CAS":"121-92-6","CAS.Checksum":true,"DTXSID":"DTXSID0025737","Formula":"C7H5NO4","All.Compound.Names":"3-nitrobenzoic acid|Dtxsid0025737|121-92-6","logHenry":-8.231,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.827,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.74,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.674,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.7,"MP.Reference":"EPA-CCD-OPERA","MW":167.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-92-6"}
{"Compound":"Methyl 4-methoxybenzoate","CAS":"121-98-2","CAS.Checksum":true,"DTXSID":"DTXSID7047645","Formula":"C9H10O3","All.Compound.Names":"Methyl 4-methoxybenzoate|Dtxsid7047645","logHenry":-6.057,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.267,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.791,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.407,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.12,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-98-2"}
{"Compound":"9-cyanoanthracene","CAS":"1210-12-4","CAS.Checksum":true,"DTXSID":"DTXSID3049209","Formula":"C15H9N","All.Compound.Names":"9-cyanoanthracene|Dtxsid3049209","logHenry":-7.196,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.256,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.824,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.324,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.7,"MP.Reference":"EPA-CCD-OPERA","MW":203.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1210-12-4"}
{"Compound":"Dibenzosuberone","CAS":"1210-35-1","CAS.Checksum":true,"DTXSID":"DTXSID4049400","Formula":"C15H12O","All.Compound.Names":"Dibenzosuberone|Dtxsid4049400","logHenry":-5.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.44,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.902,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.14,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.56,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1210-35-1"}
{"Compound":"2-propenal,3,3-diphenyl-","CAS":"1210-39-5","CAS.Checksum":true,"DTXSID":"DTXSID2049210","Formula":"C15H12O","All.Compound.Names":"2-propenal,3,3-diphenyl-|3,3-diphenylacrylaldehyde|Dtxsid2049210","logHenry":-6.447,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.281,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.272,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.846,"logWSol.Reference":"EPA-CCD-OPERA","MP":66.6,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1210-39-5"}
{"Compound":"1-ethyl-1-methylpyrrolidinium hexafluorophosphate","CAS":"121057-90-7","CAS.Checksum":true,"DTXSID":"DTXSID5047877","Formula":"C7H16F6NP","All.Compound.Names":"1-ethyl-1-methylpyrrolidinium hexafluorophosphate|Dtxsid5047877|121057-90-7","logHenry":-0.9352,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7223,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.35,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2721,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.5,"MP.Reference":"EPA-CCD-OPERA","MW":259.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121057-90-7"}
{"Compound":"Manganese, tricarbonyl[(1,2,3,4,5-.eta.)-1-methyl-2,4-cyclopentadien-1-yl]-","CAS":"12108-13-3","CAS.Checksum":true,"DTXSID":"DTXSID9027738","Formula":"C9H7MnO3","All.Compound.Names":"Manganese, tricarbonyl[(1,2,3,4,5-.eta.)-1-methyl-2,4-cyclopentadien-1-yl]-|(methylcyclopentadienyl)tricarbonylmanganese","MW":218.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"12108-13-3"}
{"Compound":"Methyltrioctylammonium trifluoromethanesulfonate","CAS":"121107-18-4","CAS.Checksum":true,"DTXSID":"DTXSID5047904","Formula":"C26H54F3NO3S","All.Compound.Names":"Methyltrioctylammonium trifluoromethanesulfonate|Dtxsid5047904|121107-18-4","logHenry":-6.069,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7584,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.365,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.768,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.2,"MP.Reference":"EPA-CCD-OPERA","MW":517.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121107-18-4"}
{"Compound":"Cefprozil monohydrate","CAS":"121123-17-9","CAS.Checksum":true,"DTXSID":"DTXSID3046085","Formula":"C18H21N3O6S","All.Compound.Names":"Cefprozil monohydrate|Dtxsid3046085|121123-17-9","logHenry":-10.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8019,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.649,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.006,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.3,"MP.Reference":"EPA-CCD-OPERA","MW":407.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.2","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121123-17-9"}
{"Compound":"N,n'-dicyclohexylthiourea","CAS":"1212-29-9","CAS.Checksum":true,"DTXSID":"DTXSID9020451","Formula":"C13H24N2S","All.Compound.Names":"N,n'-dicyclohexylthiourea|Dtxsid9020451|1212-29-9","logHenry":-8.888,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.69,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.682,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.522,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.7,"MP.Reference":"EPA-CCD-OPERA","MW":240.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1212-29-9"}
{"Compound":"Mephentermine hemisulfate","CAS":"1212-72-2","CAS.Checksum":true,"DTXSID":"DTXSID1047780","Formula":"C22H36N2O4S","All.Compound.Names":"Mephentermine hemisulfate|Benzeneethanamine, n,?,?-trimethyl-, sulfate (2:1)|Dtxsid1047780|1212-72-2","logHenry":-5.039,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3342,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.189,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.456,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.1,"MP.Reference":"EPA-CCD-OPERA","MW":424.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1212-72-2"}
{"Compound":"Alendronate sodium","CAS":"121268-17-5","CAS.Checksum":true,"DTXSID":"DTXSID7047801","Formula":"C4H18NNaO10P2","All.Compound.Names":"Alendronate sodium|Dtxsid7047801|121268-17-5","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.318,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.84,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.08198,"logWSol.Reference":"EPA-CCD-OPERA","MP":215,"MP.Reference":"EPA-CCD-OPERA","MW":325.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121268-17-5"}
{"Compound":"Loxoribine","CAS":"121288-39-9","CAS.Checksum":true,"DTXSID":"DTXSID3046748","Formula":"C13H17N5O6","All.Compound.Names":"Loxoribine|Dtxsid3046748|121288-39-9","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.252,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.73,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.124,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.2,"MP.Reference":"EPA-CCD-OPERA","MW":339.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.42","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121288-39-9"}
{"Compound":"Ethebenecid","CAS":"1213-06-5","CAS.Checksum":true,"DTXSID":"DTXSID7023011","Formula":"C11H15NO4S","All.Compound.Names":"Ethebenecid|Dtxsid7023011|1213-06-5","logHenry":-9.165,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.597,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.941,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.248,"logWSol.Reference":"EPA-CCD-OPERA","MP":193,"MP.Reference":"EPA-CCD-OPERA","MW":257.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1213-06-5"}
{"Compound":"Clobutinol hydrochloride","CAS":"1215-83-4","CAS.Checksum":true,"DTXSID":"DTXSID7047807","Formula":"C14H23Cl2NO","All.Compound.Names":"Clobutinol hydrochloride|Dtxsid7047807|1215-83-4","logHenry":-5.067,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2945,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.95,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.667,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.8,"MP.Reference":"EPA-CCD-OPERA","MW":292.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1215-83-4"}
{"Compound":"Flurenol-methyl","CAS":"1216-44-0","CAS.Checksum":true,"DTXSID":"DTXSID5034729","Formula":"C15H12O3","All.Compound.Names":"Flurenol-methyl|Methyl 9-hydroxy-9h-fluorene-9-carboxylate|Dtxsid5034729|1216-44-0","logHenry":-9.598,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.309,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.583,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.958,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.82,"MP.Reference":"EPA-CCD-OPERA","MW":240.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1216-44-0"}
{"Compound":"Falnidamol dihydrochloride","CAS":"1216920-18-1","CAS.Checksum":true,"DTXSID":"DTXSID0046307","Formula":"C18H21Cl3FN7","All.Compound.Names":"Falnidamol dihydrochloride|Dtxsid0046307|1216920-18-1","logHenry":-7.221,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.573,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.05,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.98,"logWSol.Reference":"EPA-CCD-OPERA","MP":225.5,"MP.Reference":"EPA-CCD-OPERA","MW":460.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1216920-18-1"}
{"Compound":"(s)-(+)-dimethindene maleate","CAS":"1217457-81-2","CAS.Checksum":true,"DTXSID":"DTXSID8049040","Formula":"C24H28N2O4","All.Compound.Names":"(s)-(+)-dimethindene maleate|Dtxsid8049040|1217457-81-2","logHenry":-6.685,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6727,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.209,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.751,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.9,"MP.Reference":"EPA-CCD-OPERA","MW":408.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1217457-81-2"}
{"Compound":"Halofuginone hydrochloride","CAS":"1217623-74-9","CAS.Checksum":true,"DTXSID":"DTXSID9046863","Formula":"C16H18BrCl2N3O3","All.Compound.Names":"Halofuginone hydrochloride|Dtxsid9046863|1217623-74-9","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.04083,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.513,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.826,"logWSol.Reference":"EPA-CCD-OPERA","MP":198,"MP.Reference":"EPA-CCD-OPERA","MW":451.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1217623-74-9"}
{"Compound":"Xylometazoline hydrochloride","CAS":"1218-35-5","CAS.Checksum":true,"DTXSID":"DTXSID3045223","Formula":"C16H25ClN2","All.Compound.Names":"Xylometazoline hydrochloride|Dtxsid3045223|1218-35-5","logHenry":-6.749,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.182,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.978,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.152,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.1,"MP.Reference":"EPA-CCD-OPERA","MW":280.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1218-35-5"}
{"Compound":"Octylparaben","CAS":"1219-38-1","CAS.Checksum":true,"DTXSID":"DTXSID0047957","Formula":"C15H22O3","All.Compound.Names":"Octylparaben|Dtxsid0047957|1219-38-1","logHenry":-8.908,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.109,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.785,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.222,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.54,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1219-38-1"}
{"Compound":"Aurothioglucose","CAS":"12192-57-3","CAS.Checksum":true,"DTXSID":"DTXSID5046013","Formula":"C6H11AuO5S","All.Compound.Names":"Aurothioglucose|12192-57-3","logHenry":-10.26,"logHenry.Reference":"OPERA29","logP":-1.86,"logP.Reference":"OPERA29","logWSol":0.28,"logWSol.Reference":"OPERA29","MP":151,"MP.Reference":"OPERA29","MW":392.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"12192-57-3"}
{"Compound":"Loracarbef hydrate","CAS":"121961-22-6","CAS.Checksum":true,"DTXSID":"DTXSID5048718","Formula":"C16H18ClN3O5","All.Compound.Names":"Loracarbef hydrate|Loracarbef monohydrate|Dtxsid5048718|121961-22-6","logHenry":-10.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8943,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.454,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.61,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.5,"MP.Reference":"EPA-CCD-OPERA","MW":367.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121961-22-6"}
{"Compound":"P-methylacetophenone","CAS":"122-00-9","CAS.Checksum":true,"DTXSID":"DTXSID9044374","Formula":"C9H10O","All.Compound.Names":"P-methylacetophenone|Dtxsid9044374","logHenry":-4.906,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.099,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.736,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.619,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.24,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-00-9"}
{"Compound":"4-chlorobenzoyl chloride","CAS":"122-01-0","CAS.Checksum":true,"DTXSID":"DTXSID4051619","Formula":"C7H4Cl2O","All.Compound.Names":"4-chlorobenzoyl chloride|Dtxsid4051619","logHenry":-6.311,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.995,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.781,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.407,"logWSol.Reference":"EPA-CCD-OPERA","MP":10.72,"MP.Reference":"EPA-CCD-OPERA","MW":175,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-01-0"}
{"Compound":"4-isopropylbenzaldehyde","CAS":"122-03-2","CAS.Checksum":true,"DTXSID":"DTXSID9021974","Formula":"C10H12O","All.Compound.Names":"4-isopropylbenzaldehyde|Dtxsid9021974","logHenry":-4.136,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.697,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.261,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.647,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.186,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-03-2"}
{"Compound":"4-nitrobenzoyl chloride","CAS":"122-04-3","CAS.Checksum":true,"DTXSID":"DTXSID9025742","Formula":"C7H4ClNO3","All.Compound.Names":"4-nitrobenzoyl chloride|Dtxsid9025742|122-04-3","logHenry":-6.511,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.83,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.964,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.152,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.76,"MP.Reference":"EPA-CCD-OPERA","MW":185.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-04-3"}
{"Compound":"Sulfadimethoxine","CAS":"122-11-2","CAS.Checksum":true,"DTXSID":"DTXSID1023607","Formula":"C12H14N4O4S","All.Compound.Names":"Sulfadimethoxine|122-11-2|Dtxsid1023607","logHenry":-10.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.627,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.698,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.955,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.4,"MP.Reference":"EPA-CCD-OPERA","MW":310.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.591,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"122-11-2"}
{"Compound":"Sulfanitran","CAS":"122-16-7","CAS.Checksum":true,"DTXSID":"DTXSID4045898","Formula":"C14H13N3O5S","All.Compound.Names":"Sulfanitran|Dtxsid4045898|122-16-7","logHenry":-10.85,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.821,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.597,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.75,"logWSol.Reference":"EPA-CCD-OPERA","MP":239.9,"MP.Reference":"EPA-CCD-OPERA","MW":335.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-16-7"}
{"Compound":"Benzylhexadecyldimethylammonium chloride","CAS":"122-18-9","CAS.Checksum":true,"DTXSID":"DTXSID3041665","Formula":"C25H46ClN","All.Compound.Names":"Benzylhexadecyldimethylammonium chloride|Dtxsid3041665|Benzalkonium chloride c16 (bac c16)|122-18-9","logHenry":-6.076,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.261,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.42,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.807,"logWSol.Reference":"EPA-CCD-OPERA","MP":119.5,"MP.Reference":"EPA-CCD-OPERA","MW":396.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-18-9"}
{"Compound":"N,n-dimethyl-n-octadecylbenzenemethanaminium chloride","CAS":"122-19-0","CAS.Checksum":true,"DTXSID":"DTXSID2025139","Formula":"C27H50ClN","All.Compound.Names":"N,n-dimethyl-n-octadecylbenzenemethanaminium chloride|N,n-dimethyl-n-benzyl-n-octadecylammonium chloride|Dtxsid2025139|Benzalkonium chloride c18 (bac c18)|122-19-0","logHenry":-6.129,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.278,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.464,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.944,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.7,"MP.Reference":"EPA-CCD-OPERA","MW":424.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-19-0"}
{"Compound":"Triisopropanolamine","CAS":"122-20-3","CAS.Checksum":true,"DTXSID":"DTXSID5021415","Formula":"C9H21NO3","All.Compound.Names":"Triisopropanolamine|Dtxsid5021415|122-20-3","logHenry":-10.11,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1773,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.714,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6366,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.96,"MP.Reference":"EPA-CCD-OPERA","MW":191.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-20-3"}
{"Compound":"Propham","CAS":"122-42-9","CAS.Checksum":true,"DTXSID":"DTXSID7020766","Formula":"C10H13NO2","All.Compound.Names":"Propham|Dtxsid7020766|122-42-9","logHenry":-7.686,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.601,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.02,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.954,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.14,"MP.Reference":"EPA-CCD-OPERA","MW":179.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-42-9"}
{"Compound":"M-cresyl acetate","CAS":"122-46-3","CAS.Checksum":true,"DTXSID":"DTXSID7046041","Formula":"C9H10O2","All.Compound.Names":"M-cresyl acetate|Dtxsid7046041","logHenry":-7.277,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.088,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.732,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.108,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.17,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-46-3"}
{"Compound":"4-(4-hydroxy-3-methoxyphenyl)-2-butanone","CAS":"122-48-5","CAS.Checksum":true,"DTXSID":"DTXSID8047420","Formula":"C11H14O3","All.Compound.Names":"4-(4-hydroxy-3-methoxyphenyl)-2-butanone|Dtxsid8047420|122-48-5","logHenry":-8.928,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.852,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.344,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.837,"logWSol.Reference":"EPA-CCD-OPERA","MP":41,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-48-5"}
{"Compound":"Ethyl orthoformate","CAS":"122-51-0","CAS.Checksum":true,"DTXSID":"DTXSID8041957","Formula":"C7H16O3","All.Compound.Names":"Ethyl orthoformate|Dtxsid8041957","logHenry":-4.617,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.198,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.734,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.939,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.63,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-51-0"}
{"Compound":"Triethyl phosphite","CAS":"122-52-1","CAS.Checksum":true,"DTXSID":"DTXSID2026991","Formula":"C6H15O3P","All.Compound.Names":"Triethyl phosphite|Dtxsid2026991","logHenry":-6.41,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.053,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.729,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8575,"logWSol.Reference":"EPA-CCD-OPERA","MP":-65.02,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-52-1"}
{"Compound":"Methyl styryl ketone","CAS":"122-57-6","CAS.Checksum":true,"DTXSID":"DTXSID4025662","Formula":"C10H10O","All.Compound.Names":"Methyl styryl ketone|Dtxsid4025662","logHenry":-5.484,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.071,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.138,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.883,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.89,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-57-6"}
{"Compound":"Phenoxyacetic acid","CAS":"122-59-8","CAS.Checksum":true,"DTXSID":"DTXSID9025873","Formula":"C8H8O3","All.Compound.Names":"Phenoxyacetic acid|Dtxsid9025873|122-59-8","logHenry":-7.479,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.341,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.055,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.103,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.83,"MP.Reference":"EPA-CCD-OPERA","MW":152.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-59-8"}
{"Compound":"Phenyl glycidyl ether","CAS":"122-60-1","CAS.Checksum":true,"DTXSID":"DTXSID8021145","Formula":"C9H10O2","All.Compound.Names":"Phenyl glycidyl ether|Dtxsid8021145","logHenry":-4.848,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.906,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.099,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.797,"logWSol.Reference":"EPA-CCD-OPERA","MP":3.85,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-60-1"}
{"Compound":"Bis(2-ethylhexyl) decanedioate","CAS":"122-62-3","CAS.Checksum":true,"DTXSID":"DTXSID7025055","Formula":"C26H50O4","All.Compound.Names":"Bis(2-ethylhexyl) decanedioate|Dtxsid7025055","logHenry":-7.033,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.207,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.501,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.707,"logWSol.Reference":"EPA-CCD-OPERA","MP":-48.24,"MP.Reference":"EPA-CCD-OPERA","MW":426.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-62-3"}
{"Compound":"Benzyl propanoate","CAS":"122-63-4","CAS.Checksum":true,"DTXSID":"DTXSID4044791","Formula":"C10H12O2","All.Compound.Names":"Benzyl propanoate|Dtxsid4044791","logHenry":-3.898,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.559,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.673,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.427,"logWSol.Reference":"EPA-CCD-OPERA","MP":-16.54,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-63-4"}
{"Compound":"Phenylmercuric lactate","CAS":"122-64-5","CAS.Checksum":true,"DTXSID":"DTXSID0044525","Formula":"C9H10HgO3","All.Compound.Names":"Phenylmercuric lactate","MW":366.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-64-5"}
{"Compound":"Isobutyl 3-phenylacrylate","CAS":"122-67-8","CAS.Checksum":true,"DTXSID":"DTXSID2047646","Formula":"C13H16O2","All.Compound.Names":"Isobutyl 3-phenylacrylate|Dtxsid2047646","logHenry":-4.25,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.409,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.251,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.394,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.072,"MP.Reference":"EPA-CCD-OPERA","MW":204.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-67-8"}
{"Compound":"3-phenylpropyl cinnamate","CAS":"122-68-9","CAS.Checksum":true,"DTXSID":"DTXSID9047411","Formula":"C18H18O2","All.Compound.Names":"3-phenylpropyl cinnamate|Dtxsid9047411","logHenry":-8.038,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.939,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.693,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.307,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.54,"MP.Reference":"EPA-CCD-OPERA","MW":266.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-68-9"}
{"Compound":"3-phenyl-2-propen-1-yl 3-phenylacrylate","CAS":"122-69-0","CAS.Checksum":true,"DTXSID":"DTXSID7047647","Formula":"C18H16O2","All.Compound.Names":"3-phenyl-2-propen-1-yl 3-phenylacrylate|Dtxsid7047647","logHenry":-8.037,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.45,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.073,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.847,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.09,"MP.Reference":"EPA-CCD-OPERA","MW":264.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-69-0"}
{"Compound":"2-phenylethyl propionate","CAS":"122-70-3","CAS.Checksum":true,"DTXSID":"DTXSID6035156","Formula":"C11H14O2","All.Compound.Names":"2-phenylethyl propionate|Dtxsid6035156","logHenry":-4.108,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.005,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.716,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.982,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.67,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-70-3"}
{"Compound":"3-phenylpropyl acetate","CAS":"122-72-5","CAS.Checksum":true,"DTXSID":"DTXSID2047648","Formula":"C11H14O2","All.Compound.Names":"3-phenylpropyl acetate|Dtxsid2047648","logHenry":-4.086,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.946,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.775,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.006,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.701,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-72-5"}
{"Compound":"Benzyl 3-methylbutyl ether","CAS":"122-73-6","CAS.Checksum":true,"DTXSID":"DTXSID7047439","Formula":"C12H18O","All.Compound.Names":"Benzyl 3-methylbutyl ether|Dtxsid7047439","logHenry":-3.083,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.942,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.784,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.621,"logWSol.Reference":"EPA-CCD-OPERA","MP":-16.09,"MP.Reference":"EPA-CCD-OPERA","MW":178.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-73-6"}
{"Compound":"Phenylacetaldehyde","CAS":"122-78-1","CAS.Checksum":true,"DTXSID":"DTXSID3021483","Formula":"C8H8O","All.Compound.Names":"Phenylacetaldehyde|Dtxsid3021483","logHenry":-4.55,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.78,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.644,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.585,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.62,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-78-1"}
{"Compound":"4-aminoacetanilide","CAS":"122-80-5","CAS.Checksum":true,"DTXSID":"DTXSID7024455","Formula":"C8H10N2O","All.Compound.Names":"4-aminoacetanilide|Dtxsid7024455|122-80-5","logHenry":-8.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.08267,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.996,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9834,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.5,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-80-5"}
{"Compound":"N-(4-ethoxyphenyl)-3-oxobutanamide","CAS":"122-82-7","CAS.Checksum":true,"DTXSID":"DTXSID5044526","Formula":"C12H15NO3","All.Compound.Names":"N-(4-ethoxyphenyl)-3-oxobutanamide|Dtxsid5044526|122-82-7","logHenry":-9.374,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.15,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.876,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.629,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.63,"MP.Reference":"EPA-CCD-OPERA","MW":221.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-82-7"}
{"Compound":"4-chlorophenoxyacetic acid","CAS":"122-88-3","CAS.Checksum":true,"DTXSID":"DTXSID9034282","Formula":"C8H7ClO3","All.Compound.Names":"4-chlorophenoxyacetic acid|Dtxsid9034282|122-88-3","logHenry":-8.068,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.248,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.519,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.286,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.7,"MP.Reference":"EPA-CCD-OPERA","MW":186.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-88-3"}
{"Compound":"4-methoxybenzyl formate","CAS":"122-91-8","CAS.Checksum":true,"DTXSID":"DTXSID7047649","Formula":"C9H10O3","All.Compound.Names":"4-methoxybenzyl formate|Dtxsid7047649","logHenry":-5.133,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.791,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.28,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.444,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.8,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-91-8"}
{"Compound":"1,4-piperazinediethanol","CAS":"122-96-3","CAS.Checksum":true,"DTXSID":"DTXSID3029158","Formula":"C8H18N2O2","All.Compound.Names":"1,4-piperazinediethanol|Dtxsid3029158|122-96-3","logHenry":-9.083,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6377,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.477,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8209,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.7,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-96-3"}
{"Compound":"3-phenyl-1-propanol","CAS":"122-97-4","CAS.Checksum":true,"DTXSID":"DTXSID6041638","Formula":"C9H12O","All.Compound.Names":"3-phenyl-1-propanol|Dtxsid6041638|122-97-4","logHenry":-6.686,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.782,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.452,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.378,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.64,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-97-4"}
{"Compound":"Sulfamonomethoxine","CAS":"1220-83-3","CAS.Checksum":true,"DTXSID":"DTXSID8045351","Formula":"C11H12N4O3S","All.Compound.Names":"Sulfamonomethoxine|Dtxsid8045351|1220-83-3","logHenry":-9.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7002,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.526,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.822,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.5,"MP.Reference":"EPA-CCD-OPERA","MW":280.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1220-83-3"}
{"Compound":"Cyhalofop-butyl","CAS":"122008-85-9","CAS.Checksum":true,"DTXSID":"DTXSID1034503","Formula":"C20H20FNO4","All.Compound.Names":"Cyhalofop-butyl|Dtxsid1034503","logHenry":-7.976,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.311,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.091,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.909,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.57,"MP.Reference":"EPA-CCD-OPERA","MW":357.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122008-85-9"}
{"Compound":"Ipodate sodium","CAS":"1221-56-3","CAS.Checksum":true,"DTXSID":"DTXSID9048271","Formula":"C12H12I3N2NaO2","All.Compound.Names":"Ipodate sodium|Dtxsid9048271|1221-56-3","logHenry":-8.455,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.699,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.891,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.972,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.8,"MP.Reference":"EPA-CCD-OPERA","MW":619.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1221-56-3"}
{"Compound":"Gemcitabine hydrochloride","CAS":"122111-03-9","CAS.Checksum":true,"DTXSID":"DTXSID3047849","Formula":"C9H12ClF2N3O4","All.Compound.Names":"Gemcitabine hydrochloride|2'-deoxy-2',2'-difluorocytidine monohydrochloride|Dtxsid3047849|122111-03-9","logHenry":-9.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.552,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.88,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.427,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.9,"MP.Reference":"EPA-CCD-OPERA","MW":299.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122111-03-9"}
{"Compound":"1-methyl-1-propylpiperidinium trifluoromethanesulfonate","CAS":"1221445-34-6","CAS.Checksum":true,"DTXSID":"DTXSID8049387","Formula":"C10H20F3NO3S","All.Compound.Names":"1-methyl-1-propylpiperidinium trifluoromethanesulfonate|Dtxsid8049387|1221445-34-6","logHenry":-5.42,"logHenry.Reference":"OPERA29","logP":6.31,"logP.Reference":"OPERA29","logWSol":-5.06,"logWSol.Reference":"OPERA29","MP":46,"MP.Reference":"OPERA29","MW":291.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1221445-34-6"}
{"Compound":"Zolimidine","CAS":"1222-57-7","CAS.Checksum":true,"DTXSID":"DTXSID9057630","Formula":"C14H12N2O2S","All.Compound.Names":"Zolimidine|Dtxsid9057630|1222-57-7","logHenry":-6.05,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.802,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.623,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.532,"logWSol.Reference":"EPA-CCD-OPERA","MP":242.9,"MP.Reference":"EPA-CCD-OPERA","MW":272.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1222-57-7"}
{"Compound":"4-nitrochalcone","CAS":"1222-98-6","CAS.Checksum":true,"DTXSID":"DTXSID7049211","Formula":"C15H11NO3","All.Compound.Names":"4-nitrochalcone|Dtxsid7049211|1222-98-6","logHenry":-8.179,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.41,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.561,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.966,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.5,"MP.Reference":"EPA-CCD-OPERA","MW":253.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1222-98-6"}
{"Compound":"Clofexamide","CAS":"1223-36-5","CAS.Checksum":true,"DTXSID":"DTXSID6046424","Formula":"C14H21ClN2O2","All.Compound.Names":"Clofexamide|Dtxsid6046424|1223-36-5","logHenry":-9.45,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.839,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.034,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.406,"logWSol.Reference":"EPA-CCD-OPERA","MP":117.1,"MP.Reference":"EPA-CCD-OPERA","MW":284.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1223-36-5"}
{"Compound":"5alpha-androstan-3beta-ol","CAS":"1224-92-6","CAS.Checksum":true,"DTXSID":"DTXSID4036514","Formula":"C19H32O","All.Compound.Names":"5alpha-androstan-3beta-ol|Dtxsid4036514|1224-92-6","logHenry":-5,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.959,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.653,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.725,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.4,"MP.Reference":"EPA-CCD-OPERA","MW":276.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1224-92-6"}
{"Compound":"Chlorfenapyr","CAS":"122453-73-0","CAS.Checksum":true,"DTXSID":"DTXSID9032533","Formula":"C15H11BrClF3N2O","All.Compound.Names":"Chlorfenapyr|4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1h-pyrrole-3-carbonitrile|Dtxsid9032533|122453-73-0","logHenry":-5.588,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.827,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.921,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.559,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.5,"MP.Reference":"EPA-CCD-OPERA","MW":407.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122453-73-0"}
{"Compound":"Tralopyril","CAS":"122454-29-9","CAS.Checksum":true,"DTXSID":"DTXSID6041503","Formula":"C12H5BrClF3N2","All.Compound.Names":"Tralopyril|Dtxsid6041503|122454-29-9","logHenry":-8.238,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.377,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.236,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.576,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.1,"MP.Reference":"EPA-CCD-OPERA","MW":349.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122454-29-9"}
{"Compound":"1-methyl-1-propylpyrrolidinium trifluoromethanesulfonate","CAS":"1224852-54-3","CAS.Checksum":true,"DTXSID":"DTXSID7049390","Formula":"C9H18F3NO3S","All.Compound.Names":"1-methyl-1-propylpyrrolidinium trifluoromethanesulfonate|Dtxsid7049390|1224852-54-3","logHenry":-1.101,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7538,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.639,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.00873,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.2,"MP.Reference":"EPA-CCD-OPERA","MW":277.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1224852-54-3"}
{"Compound":"Iothalamate sodium","CAS":"1225-20-3","CAS.Checksum":true,"DTXSID":"DTXSID1057668","Formula":"C11H8I3N2NaO4","All.Compound.Names":"Iothalamate sodium|Dtxsid1057668|1225-20-3","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.153,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.234,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.791,"logWSol.Reference":"EPA-CCD-OPERA","MP":253.6,"MP.Reference":"EPA-CCD-OPERA","MW":635.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1225-20-3"}
{"Compound":"Protriptyline hydrochloride","CAS":"1225-55-4","CAS.Checksum":true,"DTXSID":"DTXSID8046951","Formula":"C19H22ClN","All.Compound.Names":"Protriptyline hydrochloride|Dtxsid8046951|1225-55-4","logHenry":-5.691,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.714,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.076,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.899,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.5,"MP.Reference":"EPA-CCD-OPERA","MW":299.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1225-55-4"}
{"Compound":"Isothipendyl hydrochloride","CAS":"1225-60-1","CAS.Checksum":true,"DTXSID":"DTXSID1046845","Formula":"C16H20ClN3S","All.Compound.Names":"Isothipendyl hydrochloride|Dtxsid1046845|1225-60-1","logHenry":-5.807,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8177,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.385,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.5,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.8,"MP.Reference":"EPA-CCD-OPERA","MW":321.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1225-60-1"}
{"Compound":"Ibutilide fumarate","CAS":"122647-32-9","CAS.Checksum":true,"DTXSID":"DTXSID8048652","Formula":"C44H76N4O10S2","All.Compound.Names":"Ibutilide fumarate|Dtxsid8048652|122647-32-9","logHenry":-8.839,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6664,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.786,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.9,"MP.Reference":"EPA-CCD-OPERA","MW":885.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122647-32-9"}
{"Compound":"Gadodiamide hydrate","CAS":"122795-43-1","CAS.Checksum":true,"DTXSID":"DTXSID9048647","Formula":"C16H28GdN5O9","All.Compound.Names":"Gadodiamide hydrate|Dtxsid9048647|122795-43-1","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.302,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.79,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9017,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.7,"MP.Reference":"EPA-CCD-OPERA","MW":591.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122795-43-1"}
{"Compound":"Cefoselis sulfate","CAS":"122841-12-7","CAS.Checksum":true,"DTXSID":"DTXSID8046795","Formula":"C19H24N8O10S3","All.Compound.Names":"Cefoselis sulfate|Dtxsid8046795|122841-12-7","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7397,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.745,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.404,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.9,"MP.Reference":"EPA-CCD-OPERA","MW":620.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.3","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122841-12-7"}
{"Compound":"Alosetron hydrochloride","CAS":"122852-69-1","CAS.Checksum":true,"DTXSID":"DTXSID8044208","Formula":"C17H19ClN4O","All.Compound.Names":"Alosetron hydrochloride|Dtxsid8044208|122852-69-1","logHenry":-9.651,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9619,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.425,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.227,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.5,"MP.Reference":"EPA-CCD-OPERA","MW":330.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122852-69-1"}
{"Compound":"Itopride hydrochloride","CAS":"122892-31-3","CAS.Checksum":true,"DTXSID":"DTXSID5046693","Formula":"C20H27ClN2O4","All.Compound.Names":"Itopride hydrochloride|Dtxsid5046693|122892-31-3","logHenry":-9.942,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9015,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.516,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.468,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.6,"MP.Reference":"EPA-CCD-OPERA","MW":394.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122892-31-3"}
{"Compound":"Doxepin hydrochloride","CAS":"1229-29-4","CAS.Checksum":true,"DTXSID":"DTXSID8045145","Formula":"C19H22ClNO","All.Compound.Names":"Doxepin hydrochloride|Dtxsid8045145|1229-29-4","logHenry":-7.737,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7743,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.12,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.766,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.3,"MP.Reference":"EPA-CCD-OPERA","MW":315.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.11","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1229-29-4"}
{"Compound":"Methdilazine hydrochloride","CAS":"1229-35-2","CAS.Checksum":true,"DTXSID":"DTXSID3025548","Formula":"C18H21ClN2S","All.Compound.Names":"Methdilazine hydrochloride|Dtxsid3025548|1229-35-2","logHenry":-5.144,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.493,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.092,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.599,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.5,"MP.Reference":"EPA-CCD-OPERA","MW":332.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1229-35-2"}
{"Compound":"4-morpholinepropanamine","CAS":"123-00-2","CAS.Checksum":true,"DTXSID":"DTXSID4041521","Formula":"C7H16N2O","All.Compound.Names":"4-morpholinepropanamine|Dtxsid4041521|123-00-2","logHenry":-6.57,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3736,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.505,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7682,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.84,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-00-2"}
{"Compound":"Dodecylbenzene","CAS":"123-01-3","CAS.Checksum":true,"DTXSID":"DTXSID7026994","Formula":"C18H30","All.Compound.Names":"Dodecylbenzene|Dtxsid7026994|N-dodecylbenzene","logHenry":-5.142,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.646,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1168,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.981,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.979,"MP.Reference":"EPA-CCD-OPERA","MW":246.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-01-3"}
{"Compound":"1-phenyltridecane","CAS":"123-02-4","CAS.Checksum":true,"DTXSID":"DTXSID7040784","Formula":"C19H32","All.Compound.Names":"1-phenyltridecane|Dtxsid7040784|N-tridecylbenzene","logHenry":-5.571,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.355,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4555,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.243,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.987,"MP.Reference":"EPA-CCD-OPERA","MW":260.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-02-4"}
{"Compound":"Cetylpyridinium chloride","CAS":"123-03-5","CAS.Checksum":true,"DTXSID":"DTXSID6041761","Formula":"C21H38ClN","All.Compound.Names":"Cetylpyridinium chloride|Dtxsid6041761|123-03-5","logHenry":-6.006,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.523,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.359,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.266,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.1,"MP.Reference":"EPA-CCD-OPERA","MW":340,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-03-5"}
{"Compound":"2-ethylhexanal","CAS":"123-05-7","CAS.Checksum":true,"DTXSID":"DTXSID9025291","Formula":"C8H16O","All.Compound.Names":"2-ethylhexanal|2-ethylhexaldehyde|Dtxsid9025291","logHenry":-3.567,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.97,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9968,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":-12.26,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-05-7"}
{"Compound":"4-ethylphenol","CAS":"123-07-9","CAS.Checksum":true,"DTXSID":"DTXSID4021977","Formula":"C8H10O","All.Compound.Names":"4-ethylphenol|Dtxsid4021977|123-07-9","logHenry":-6.119,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.576,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.514,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.438,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.79,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-07-9"}
{"Compound":"4-chlorophenyl methyl sulfide","CAS":"123-09-1","CAS.Checksum":true,"DTXSID":"DTXSID8023973","Formula":"C7H7ClS","All.Compound.Names":"4-chlorophenyl methyl sulfide|Dtxsid8023973","logHenry":-2.629,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.079,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.149,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.064,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.54,"MP.Reference":"EPA-CCD-OPERA","MW":158.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-09-1"}
{"Compound":"4-methoxybenzaldehyde","CAS":"123-11-5","CAS.Checksum":true,"DTXSID":"DTXSID2026997","Formula":"C8H8O2","All.Compound.Names":"4-methoxybenzaldehyde|Dtxsid2026997","logHenry":-6.647,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.759,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.83,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.496,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.152,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-11-5"}
{"Compound":"2-methylpentanal","CAS":"123-15-9","CAS.Checksum":true,"DTXSID":"DTXSID9021978","Formula":"C6H12O","All.Compound.Names":"2-methylpentanal|Dtxsid9021978","logHenry":-3.839,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.694,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.841,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.375,"logWSol.Reference":"EPA-CCD-OPERA","MP":-62.06,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-15-9"}
{"Compound":"2,6,8-trimethyl-4-nonanol","CAS":"123-17-1","CAS.Checksum":true,"DTXSID":"DTXSID8029159","Formula":"C12H26O","All.Compound.Names":"2,6,8-trimethyl-4-nonanol|Dtxsid8029159|123-17-1","logHenry":-4.699,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.692,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.766,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.219,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.2408,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-17-1"}
{"Compound":"2,6,8-trimethyl-4-nonanone","CAS":"123-18-2","CAS.Checksum":true,"DTXSID":"DTXSID7026998","Formula":"C12H24O","All.Compound.Names":"2,6,8-trimethyl-4-nonanone|Dtxsid7026998","logHenry":-3.722,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.566,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.203,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.036,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.635,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-18-2"}
{"Compound":"Diethyl butanedioate","CAS":"123-25-1","CAS.Checksum":true,"DTXSID":"DTXSID2038732","Formula":"C8H14O4","All.Compound.Names":"Diethyl butanedioate|Dtxsid2038732","logHenry":-5.341,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.194,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.547,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9577,"logWSol.Reference":"EPA-CCD-OPERA","MP":-20.1,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-25-1"}
{"Compound":"Ethyl nonanoate","CAS":"123-29-5","CAS.Checksum":true,"DTXSID":"DTXSID1047651","Formula":"C11H22O2","All.Compound.Names":"Ethyl nonanoate|Dtxsid1047651","logHenry":-3.739,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.258,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.565,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.805,"logWSol.Reference":"EPA-CCD-OPERA","MP":-37.29,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-29-5"}
{"Compound":"4-aminophenol","CAS":"123-30-8","CAS.Checksum":true,"DTXSID":"DTXSID3024499","Formula":"C6H7NO","All.Compound.Names":"4-aminophenol|Dtxsid3024499|123-30-8","logHenry":-7.052,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.04362,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.553,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8136,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.9,"MP.Reference":"EPA-CCD-OPERA","MW":109.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.45","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-30-8"}
{"Compound":"Hydroquinone","CAS":"123-31-9","CAS.Checksum":true,"DTXSID":"DTXSID7020716","Formula":"C6H6O2","All.Compound.Names":"Hydroquinone|Dtxsid7020716|123-31-9","logHenry":-7.26,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5933,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.997,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.177,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.5,"MP.Reference":"EPA-CCD-OPERA","MW":110.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-31-9"}
{"Compound":"1,2-propanediol, 3-(2-propenyloxy)-","CAS":"123-34-2","CAS.Checksum":true,"DTXSID":"DTXSID4044375","Formula":"C6H12O3","All.Compound.Names":"1,2-propanediol, 3-(2-propenyloxy)-|Glycerol 1-allylether|Dtxsid4044375|123-34-2","logHenry":-7.367,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.381,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.831,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7894,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.493,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-34-2"}
{"Compound":"Myrcene","CAS":"123-35-3","CAS.Checksum":true,"DTXSID":"DTXSID6025692","Formula":"C10H16","All.Compound.Names":"Myrcene|Dtxsid6025692","logHenry":-1.433,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.17,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3537,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.393,"logWSol.Reference":"EPA-CCD-OPERA","MP":-62.16,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-35-3"}
{"Compound":"Propanal","CAS":"123-38-6","CAS.Checksum":true,"DTXSID":"DTXSID2021658","Formula":"C3H6O","All.Compound.Names":"Propanal|Dtxsid2021658","logHenry":-4.135,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5891,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.313,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6487,"logWSol.Reference":"EPA-CCD-OPERA","MP":-80.25,"MP.Reference":"EPA-CCD-OPERA","MW":58.08,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-38-6"}
{"Compound":"Choline hydroxide","CAS":"123-41-1","CAS.Checksum":true,"DTXSID":"DTXSID9047467","Formula":"C5H15NO2","All.Compound.Names":"Choline hydroxide|Dtxsid9047467|123-41-1","logHenry":-4.743,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3827,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.458,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.667,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.63,"MP.Reference":"EPA-CCD-OPERA","MW":121.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-41-1"}
{"Compound":"Diacetone alcohol","CAS":"123-42-2","CAS.Checksum":true,"DTXSID":"DTXSID6024917","Formula":"C6H12O2","All.Compound.Names":"Diacetone alcohol|Dtxsid6024917|123-42-2","logHenry":-6.175,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.098,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.664,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9322,"logWSol.Reference":"EPA-CCD-OPERA","MP":-43.88,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-42-2"}
{"Compound":"Isopentyl alcohol","CAS":"123-51-3","CAS.Checksum":true,"DTXSID":"DTXSID3025469","Formula":"C5H12O","All.Compound.Names":"Isopentyl alcohol|Dtxsid3025469|123-51-3","logHenry":-4.848,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.162,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.344,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5189,"logWSol.Reference":"EPA-CCD-OPERA","MP":-116.7,"MP.Reference":"EPA-CCD-OPERA","MW":88.15,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-51-3"}
{"Compound":"2,4-pentanedione","CAS":"123-54-6","CAS.Checksum":true,"DTXSID":"DTXSID4021979","Formula":"C5H8O2","All.Compound.Names":"2,4-pentanedione|Dtxsid4021979","logHenry":-5.772,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3979,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.616,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2201,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.82,"MP.Reference":"EPA-CCD-OPERA","MW":100.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-54-6"}
{"Compound":"Succinimide","CAS":"123-56-8","CAS.Checksum":true,"DTXSID":"DTXSID8051629","Formula":"C4H5NO2","All.Compound.Names":"Succinimide|Dtxsid8051629|123-56-8","logHenry":-6.995,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6716,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.376,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2924,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.4,"MP.Reference":"EPA-CCD-OPERA","MW":99.09,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-56-8"}
{"Compound":"Propanoic anhydride","CAS":"123-62-6","CAS.Checksum":true,"DTXSID":"DTXSID1027007","Formula":"C6H10O3","All.Compound.Names":"Propanoic anhydride|Dtxsid1027007","logHenry":-4.593,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5805,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.336,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.26,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.98,"MP.Reference":"EPA-CCD-OPERA","MW":130.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-62-6"}
{"Compound":"Paraldehyde","CAS":"123-63-7","CAS.Checksum":true,"DTXSID":"DTXSID9023419","Formula":"C6H12O3","All.Compound.Names":"Paraldehyde|Dtxsid9023419","logHenry":-4.915,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.671,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.493,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.07474,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.63,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-63-7"}
{"Compound":"Ethyl hexanoate","CAS":"123-66-0","CAS.Checksum":true,"DTXSID":"DTXSID3021980","Formula":"C8H16O2","All.Compound.Names":"Ethyl hexanoate|Dtxsid3021980","logHenry":-3.32,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.63,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.952,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.331,"logWSol.Reference":"EPA-CCD-OPERA","MP":-69.11,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-66-0"}
{"Compound":"Butyraldehyde","CAS":"123-72-8","CAS.Checksum":true,"DTXSID":"DTXSID8021513","Formula":"C4H8O","All.Compound.Names":"Butyraldehyde|Dtxsid8021513","logHenry":-3.942,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8791,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.308,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.00952,"logWSol.Reference":"EPA-CCD-OPERA","MP":-98.46,"MP.Reference":"EPA-CCD-OPERA","MW":72.11,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-72-8"}
{"Compound":"4-oxopentanoic acid","CAS":"123-76-2","CAS.Checksum":true,"DTXSID":"DTXSID8021648","Formula":"C5H8O3","All.Compound.Names":"4-oxopentanoic acid|Dtxsid8021648|123-76-2","logHenry":-7.126,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4885,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.405,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1936,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.9,"MP.Reference":"EPA-CCD-OPERA","MW":116.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-76-2"}
{"Compound":"Azodicarbonamide","CAS":"123-77-3","CAS.Checksum":true,"DTXSID":"DTXSID0024553","Formula":"C2H4N4O2","All.Compound.Names":"Azodicarbonamide|Dtxsid0024553|123-77-3","logHenry":-8.739,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.698,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.537,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.252,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.9,"MP.Reference":"EPA-CCD-OPERA","MW":116.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-77-3"}
{"Compound":"Ethane-1,2-diyl bis(sulfanylacetate)","CAS":"123-81-9","CAS.Checksum":true,"DTXSID":"DTXSID0044527","Formula":"C6H10O4S2","All.Compound.Names":"Ethane-1,2-diyl bis(sulfanylacetate)|Dtxsid0044527|123-81-9","logHenry":-9.738,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5667,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.649,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.745,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.98,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-81-9"}
{"Compound":"Butyl acetate","CAS":"123-86-4","CAS.Checksum":true,"DTXSID":"DTXSID3021982","Formula":"C6H12O2","All.Compound.Names":"Butyl acetate|Dtxsid3021982","logHenry":-3.549,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.78,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.827,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.192,"logWSol.Reference":"EPA-CCD-OPERA","MP":-79.49,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-86-4"}
{"Compound":"1,4-dioxane","CAS":"123-91-1","CAS.Checksum":true,"DTXSID":"DTXSID4020533","Formula":"C4H8O2","All.Compound.Names":"1,4-dioxane|Dtxsid4020533","logHenry":-5.31,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2691,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.552,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.057,"logWSol.Reference":"EPA-CCD-OPERA","MP":-16.57,"MP.Reference":"EPA-CCD-OPERA","MW":88.11,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.485","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.9398","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"18.9","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.8829","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"123-91-1"}
{"Compound":"3-methylbutyl acetate","CAS":"123-92-2","CAS.Checksum":true,"DTXSID":"DTXSID9025453","Formula":"C7H14O2","All.Compound.Names":"3-methylbutyl acetate|Dtxsid9025453","logHenry":-3.235,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.25,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.638,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.865,"logWSol.Reference":"EPA-CCD-OPERA","MP":-82.14,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-92-2"}
{"Compound":"1-stearoyl-rac-glycerol","CAS":"123-94-4","CAS.Checksum":true,"DTXSID":"DTXSID7029160","Formula":"C21H42O4","All.Compound.Names":"1-stearoyl-rac-glycerol|Glycerol 1-monostearate|Dtxsid7029160|123-94-4","logHenry":-8.471,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.11,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.275,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.254,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.87,"MP.Reference":"EPA-CCD-OPERA","MW":358.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-94-4"}
{"Compound":"2-octanol","CAS":"123-96-6","CAS.Checksum":true,"DTXSID":"DTXSID0027014","Formula":"C8H18O","All.Compound.Names":"2-octanol|Dtxsid0027014|123-96-6","logHenry":-3.918,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.898,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.875,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.056,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.755,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-96-6"}
{"Compound":"Nonanedioic acid","CAS":"123-99-9","CAS.Checksum":true,"DTXSID":"DTXSID8021640","Formula":"C9H16O4","All.Compound.Names":"Nonanedioic acid|Dtxsid8021640|123-99-9","logHenry":-9.201,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.57,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.362,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.891,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.8,"MP.Reference":"EPA-CCD-OPERA","MW":188.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-99-9"}
{"Compound":"Amelometasone","CAS":"123013-22-9","CAS.Checksum":true,"DTXSID":"DTXSID4057631","Formula":"C26H35FO6","All.Compound.Names":"Amelometasone|Dtxsid4057631|123013-22-9","logHenry":-10.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.459,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.84,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.797,"logWSol.Reference":"EPA-CCD-OPERA","MP":220,"MP.Reference":"EPA-CCD-OPERA","MW":462.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123013-22-9"}
{"Compound":"Azasetron","CAS":"123040-69-7","CAS.Checksum":true,"DTXSID":"DTXSID7045651","Formula":"C17H20ClN3O3","All.Compound.Names":"Azasetron|Dtxsid7045651|123040-69-7","logHenry":-9.323,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.903,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.427,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.813,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.2,"MP.Reference":"EPA-CCD-OPERA","MW":349.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123040-69-7"}
{"Compound":"Cefepime chloride hydrochloride hydrate","CAS":"123171-59-5","CAS.Checksum":true,"DTXSID":"DTXSID7045603","Formula":"C19H28Cl2N6O6S2","All.Compound.Names":"Cefepime chloride hydrochloride hydrate|Dtxsid7045603|123171-59-5","logHenry":-10.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.119,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.34,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.58,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.7,"MP.Reference":"EPA-CCD-OPERA","MW":571.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.59","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123171-59-5"}
{"Compound":"Itasetron","CAS":"123258-84-4","CAS.Checksum":true,"DTXSID":"DTXSID9048803","Formula":"C16H20N4O2","All.Compound.Names":"Itasetron|Dtxsid9048803|123258-84-4","logHenry":-9.458,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.511,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.983,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.759,"logWSol.Reference":"EPA-CCD-OPERA","MP":244,"MP.Reference":"EPA-CCD-OPERA","MW":300.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.8","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123258-84-4"}
{"Compound":"2,4-diaminoanisole sulfate hydrate","CAS":"123333-56-2","CAS.Checksum":true,"DTXSID":"DTXSID0047242","All.Compound.Names":"2,4-diaminoanisole sulfate hydrate|2,4-diaminoanisole sulfate hydrate (1:1:x)","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123333-56-2"}
{"Compound":"Etocarlide","CAS":"1234-30-6","CAS.Checksum":true,"DTXSID":"DTXSID0046197","Formula":"C17H20N2O2S","All.Compound.Names":"Etocarlide|Dtxsid0046197|1234-30-6","logHenry":-8.229,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.702,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.671,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.972,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.7,"MP.Reference":"EPA-CCD-OPERA","MW":316.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1234-30-6"}
{"Compound":"Prulifloxacin","CAS":"123447-62-1","CAS.Checksum":true,"DTXSID":"DTXSID0046480","Formula":"C21H20FN3O6S","All.Compound.Names":"Prulifloxacin|Dtxsid0046480|123447-62-1","logHenry":-9.347,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.146,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.044,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.343,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.9,"MP.Reference":"EPA-CCD-OPERA","MW":461.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.62","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123447-62-1"}
{"Compound":"Biperiden hydrochloride","CAS":"1235-82-1","CAS.Checksum":true,"DTXSID":"DTXSID2047856","Formula":"C21H30ClNO","All.Compound.Names":"Biperiden hydrochloride|Dtxsid2047856|1235-82-1","logHenry":-6.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7693,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.086,"logWSol.Reference":"EPA-CCD-OPERA","MP":161,"MP.Reference":"EPA-CCD-OPERA","MW":347.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1235-82-1"}
{"Compound":"Azelnidipine","CAS":"123524-52-7","CAS.Checksum":true,"DTXSID":"DTXSID3020120","Formula":"C33H34N4O6","All.Compound.Names":"Azelnidipine|Dtxsid3020120|123524-52-7","logHenry":-9.989,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.179,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.989,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.342,"logWSol.Reference":"EPA-CCD-OPERA","MP":211,"MP.Reference":"EPA-CCD-OPERA","MW":582.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123524-52-7"}
{"Compound":"Acreozast","CAS":"123548-56-1","CAS.Checksum":true,"DTXSID":"DTXSID3048819","Formula":"C15H14ClN3O6","All.Compound.Names":"Acreozast|Dtxsid3048819|123548-56-1","logHenry":-10.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.168,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.372,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.434,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.3,"MP.Reference":"EPA-CCD-OPERA","MW":367.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123548-56-1"}
{"Compound":"Iguratimod","CAS":"123663-49-0","CAS.Checksum":true,"DTXSID":"DTXSID0048971","Formula":"C17H14N2O6S","All.Compound.Names":"Iguratimod|Dtxsid0048971|123663-49-0","logHenry":-11.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.945,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.425,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.82,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.7,"MP.Reference":"EPA-CCD-OPERA","MW":374.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123663-49-0"}
{"Compound":"Furazabol","CAS":"1239-29-8","CAS.Checksum":true,"DTXSID":"DTXSID7046889","Formula":"C20H30N2O2","All.Compound.Names":"Furazabol|Dtxsid7046889|1239-29-8","logHenry":-7.218,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.743,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.078,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.612,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.5,"MP.Reference":"EPA-CCD-OPERA","MW":330.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1239-29-8"}
{"Compound":"Ethidium bromide","CAS":"1239-45-8","CAS.Checksum":true,"DTXSID":"DTXSID8025258","Formula":"C21H20BrN3","All.Compound.Names":"Ethidium bromide|Dtxsid8025258|1239-45-8","logHenry":-7.865,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8062,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.36,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.299,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.7,"MP.Reference":"EPA-CCD-OPERA","MW":394.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1239-45-8"}
{"Compound":"Diallylamine","CAS":"124-02-7","CAS.Checksum":true,"DTXSID":"DTXSID1024918","Formula":"C6H11N","All.Compound.Names":"Diallylamine|Dtxsid1024918|124-02-7","logHenry":-4.948,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.109,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.109,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.05081,"logWSol.Reference":"EPA-CCD-OPERA","MP":-88.33,"MP.Reference":"EPA-CCD-OPERA","MW":97.16,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-02-7"}
{"Compound":"Ethylhexadecyldimethylammonium bromide","CAS":"124-03-8","CAS.Checksum":true,"DTXSID":"DTXSID2041759","Formula":"C20H44BrN","All.Compound.Names":"Ethylhexadecyldimethylammonium bromide|Dtxsid2041759|Quaternium 17|124-03-8","logHenry":-5.423,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6945,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.276,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.3,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.1,"MP.Reference":"EPA-CCD-OPERA","MW":378.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-03-8"}
{"Compound":"Hexanedioic acid","CAS":"124-04-9","CAS.Checksum":true,"DTXSID":"DTXSID7021605","Formula":"C6H10O4","All.Compound.Names":"Hexanedioic acid|Dtxsid7021605|124-04-9","logHenry":-8.6,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.07982,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.51,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8168,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.6,"MP.Reference":"EPA-CCD-OPERA","MW":146.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-04-9"}
{"Compound":"1,2-bis((chlorocarbonyl)oxy)ethane","CAS":"124-05-0","CAS.Checksum":true,"DTXSID":"DTXSID2051631","Formula":"C4H4Cl2O4","All.Compound.Names":"1,2-bis((chlorocarbonyl)oxy)ethane|Dtxsid2051631","logHenry":-6.909,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3692,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.676,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.445,"logWSol.Reference":"EPA-CCD-OPERA","MP":-13.68,"MP.Reference":"EPA-CCD-OPERA","MW":187,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-05-0"}
{"Compound":"Ethyl tetradecanoate","CAS":"124-06-1","CAS.Checksum":true,"DTXSID":"DTXSID6047654","Formula":"C16H32O2","All.Compound.Names":"Ethyl tetradecanoate|Dtxsid6047654","logHenry":-6.114,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.554,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.859,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.05,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.44,"MP.Reference":"EPA-CCD-OPERA","MW":256.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-06-1"}
{"Compound":"Octanoic acid","CAS":"124-07-2","CAS.Checksum":true,"DTXSID":"DTXSID3021645","Formula":"C8H16O2","All.Compound.Names":"Octanoic acid|Octanoic acid / caprylic acid|Dtxsid3021645|124-07-2","logHenry":-5.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.049,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.194,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.279,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.19,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.626","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0,0,0","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"124-07-2"}
{"Compound":"1,6-hexanediamine","CAS":"124-09-4","CAS.Checksum":true,"DTXSID":"DTXSID5024922","Formula":"C6H16N2","All.Compound.Names":"1,6-hexanediamine|Dtxsid5024922|124-09-4","logHenry":-6.794,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1211,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.474,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5926,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.44,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-09-4"}
{"Compound":"Methyl tetradecanoate","CAS":"124-10-7","CAS.Checksum":true,"DTXSID":"DTXSID5027019","Formula":"C15H30O2","All.Compound.Names":"Methyl tetradecanoate|Dtxsid5027019","logHenry":-5.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.409,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.036,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.753,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.56,"MP.Reference":"EPA-CCD-OPERA","MW":242.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-10-7"}
{"Compound":"Octanenitrile","CAS":"124-12-9","CAS.Checksum":true,"DTXSID":"DTXSID1047655","Formula":"C8H15N","All.Compound.Names":"Octanenitrile|Dtxsid1047655","logHenry":-3.664,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.749,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.691,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.772,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.51,"MP.Reference":"EPA-CCD-OPERA","MW":125.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-12-9"}
{"Compound":"Octanal","CAS":"124-13-0","CAS.Checksum":true,"DTXSID":"DTXSID3021643","Formula":"C8H16O","All.Compound.Names":"Octanal|Dtxsid3021643","logHenry":-3.292,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.769,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.378,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.361,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.55,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-13-0"}
{"Compound":"2-(2-butoxyethoxy)ethyl acetate","CAS":"124-17-4","CAS.Checksum":true,"DTXSID":"DTXSID9027021","Formula":"C10H20O4","All.Compound.Names":"2-(2-butoxyethoxy)ethyl acetate|Dtxsid9027021|Diethylene glycol monobutyl ether acetate","logHenry":-6.265,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.02,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.698,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7427,"logWSol.Reference":"EPA-CCD-OPERA","MP":-31.92,"MP.Reference":"EPA-CCD-OPERA","MW":204.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-17-4"}
{"Compound":"Decane","CAS":"124-18-5","CAS.Checksum":true,"DTXSID":"DTXSID6024913","Formula":"C10H22","All.Compound.Names":"Decane|Dtxsid6024913","logHenry":-0.8139,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.014,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6867,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.436,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.56,"MP.Reference":"EPA-CCD-OPERA","MW":142.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.7741","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.06697","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"4.197","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.1225","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"124-18-5"}
{"Compound":"Nonanal","CAS":"124-19-6","CAS.Checksum":true,"DTXSID":"DTXSID9021639","Formula":"C9H18O","All.Compound.Names":"Nonanal|Dtxsid9021639","logHenry":-3.135,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.302,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.293,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.168,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.989,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-19-6"}
{"Compound":"1-dodecanamine","CAS":"124-22-1","CAS.Checksum":true,"DTXSID":"DTXSID3021984","Formula":"C12H27N","All.Compound.Names":"1-dodecanamine|Dtxsid3021984|124-22-1","logHenry":-4.646,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.921,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.664,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.377,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.44,"MP.Reference":"EPA-CCD-OPERA","MW":185.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-22-1"}
{"Compound":"Tetradecanal","CAS":"124-25-4","CAS.Checksum":true,"DTXSID":"DTXSID1021665","Formula":"C14H28O","All.Compound.Names":"Tetradecanal|Myristyl aldehyde|Dtxsid1021665","logHenry":-4.484,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.35,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.219,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.263,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.82,"MP.Reference":"EPA-CCD-OPERA","MW":212.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-25-4"}
{"Compound":"N,n-dimethyl-1-octadecanamine","CAS":"124-28-7","CAS.Checksum":true,"DTXSID":"DTXSID4027026","Formula":"C20H43N","All.Compound.Names":"N,n-dimethyl-1-octadecanamine|Dtxsid4027026|124-28-7","logHenry":-5.4,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.801,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.922,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.809,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.36,"MP.Reference":"EPA-CCD-OPERA","MW":297.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-28-7"}
{"Compound":"Dimethylamine","CAS":"124-40-3","CAS.Checksum":true,"DTXSID":"DTXSID5024057","Formula":"C2H7N","All.Compound.Names":"Dimethylamine|Dtxsid5024057|124-40-3","logHenry":-4.753,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3792,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.399,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.557,"logWSol.Reference":"EPA-CCD-OPERA","MP":-92.07,"MP.Reference":"EPA-CCD-OPERA","MW":45.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-40-3"}
{"Compound":"Carbamide peroxide","CAS":"124-43-6","CAS.Checksum":true,"DTXSID":"DTXSID9024726","Formula":"CH6N2O3","All.Compound.Names":"Carbamide peroxide|Dtxsid9024726|124-43-6","logHenry":-8.264,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.247,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.11,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9631,"logWSol.Reference":"EPA-CCD-OPERA","MP":129,"MP.Reference":"EPA-CCD-OPERA","MW":94.07,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-43-6"}
{"Compound":"Chlorodibromomethane","CAS":"124-48-1","CAS.Checksum":true,"DTXSID":"DTXSID1020300","Formula":"CHBr2Cl","All.Compound.Names":"Chlorodibromomethane|Dtxsid1020300","logHenry":-3.104,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.267,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.899,"logWSol.Reference":"EPA-CCD-OPERA","MP":-20.25,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-48-1"}
{"Compound":"Methanesulfonyl chloride","CAS":"124-63-0","CAS.Checksum":true,"DTXSID":"DTXSID1021615","Formula":"CH3ClO2S","All.Compound.Names":"Methanesulfonyl chloride|Dtxsid1021615","logHenry":-7.599,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2453,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.503,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6611,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.42,"MP.Reference":"EPA-CCD-OPERA","MW":114.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-63-0"}
{"Compound":"Tetrakis(hydroxymethyl)phosphonium chloride","CAS":"124-64-1","CAS.Checksum":true,"DTXSID":"DTXSID5021330","Formula":"C4H12ClO4P","All.Compound.Names":"Tetrakis(hydroxymethyl)phosphonium chloride|Tetramethylolphosphonium chloride|124-64-1","logHenry":-8.001,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.797,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.98,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2448,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.6,"MP.Reference":"EPA-CCD-OPERA","MW":190.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-64-1"}
{"Compound":"2-amino-2-methylpropan-1-ol","CAS":"124-68-5","CAS.Checksum":true,"DTXSID":"DTXSID8027032","Formula":"C4H11NO","All.Compound.Names":"2-amino-2-methylpropan-1-ol|Dtxsid8027032|124-68-5","logHenry":-7.227,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9169,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.775,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.049,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.38,"MP.Reference":"EPA-CCD-OPERA","MW":89.14,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-68-5"}
{"Compound":"Isoborneol","CAS":"124-76-5","CAS.Checksum":true,"DTXSID":"DTXSID2042060","Formula":"C10H18O","All.Compound.Names":"Isoborneol|Dtxsid2042060|124-76-5","logHenry":-5.045,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.111,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.464,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.32,"logWSol.Reference":"EPA-CCD-OPERA","MP":208.7,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-76-5"}
{"Compound":"Picrotoxin","CAS":"124-87-8","CAS.Checksum":true,"DTXSID":"DTXSID7045605","Formula":"C30H34O13","All.Compound.Names":"Picrotoxin","MW":602.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-87-8"}
{"Compound":"2-ethylhexyl diphenyl phosphate","CAS":"1241-94-7","CAS.Checksum":true,"DTXSID":"DTXSID1025300","Formula":"C20H27O4P","All.Compound.Names":"2-ethylhexyl diphenyl phosphate|Dtxsid1025300","logHenry":-4.267,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.73,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.996,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.285,"logWSol.Reference":"EPA-CCD-OPERA","MP":-53.72,"MP.Reference":"EPA-CCD-OPERA","MW":362.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1241-94-7"}
{"Compound":"Maneb","CAS":"12427-38-2","CAS.Checksum":true,"DTXSID":"DTXSID9020794","Formula":"C4H6MnN2S4","All.Compound.Names":"Maneb|Dtxsid9020794|12427-38-2","logHenry":-9.835,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.704,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.64,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1121,"logWSol.Reference":"EPA-CCD-OPERA","MP":207,"MP.Reference":"EPA-CCD-OPERA","MW":265.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"12427-38-2"}
{"Compound":"Hydroxyzine hydrochloride","CAS":"1244-76-4","CAS.Checksum":true,"DTXSID":"DTXSID5047530","Formula":"C21H28Cl2N2O2","All.Compound.Names":"Hydroxyzine hydrochloride|Dtxsid5047530|1244-76-4","logHenry":-8.309,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.904,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.504,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.635,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.6,"MP.Reference":"EPA-CCD-OPERA","MW":411.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1244-76-4"}
{"Compound":"Triptorelin pamoate","CAS":"124508-66-3","CAS.Checksum":true,"DTXSID":"DTXSID4046494","Formula":"C87H98N18O19","All.Compound.Names":"Triptorelin pamoate|Dtxsid4046494|124508-66-3","logHenry":-10.57,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8813,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.764,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.684,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.3,"MP.Reference":"EPA-CCD-OPERA","MW":1700,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124508-66-3"}
{"Compound":"Meprednisone","CAS":"1247-42-3","CAS.Checksum":true,"DTXSID":"DTXSID8023260","Formula":"C22H28O5","All.Compound.Names":"Meprednisone|Dtxsid8023260|1247-42-3","logHenry":-8.914,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.715,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.715,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.354,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.5,"MP.Reference":"EPA-CCD-OPERA","MW":372.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1247-42-3"}
{"Compound":"Binospirone mesylate","CAS":"124756-23-6","CAS.Checksum":true,"DTXSID":"DTXSID6048676","Formula":"C21H30N2O7S","All.Compound.Names":"Binospirone mesylate|Dtxsid6048676|124756-23-6","logHenry":-8.231,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.03194,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.35,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.002,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.7,"MP.Reference":"EPA-CCD-OPERA","MW":454.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124756-23-6"}
{"Compound":"Pitofenone hydrochloride","CAS":"1248-42-6","CAS.Checksum":true,"DTXSID":"DTXSID7046461","Formula":"C22H26ClNO4","All.Compound.Names":"Pitofenone hydrochloride|Dtxsid7046461|1248-42-6","logHenry":-7.713,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.459,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.27,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.923,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.3,"MP.Reference":"EPA-CCD-OPERA","MW":403.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1248-42-6"}
{"Compound":"(-)-pentazocine succinate","CAS":"124819-25-6","CAS.Checksum":true,"DTXSID":"DTXSID5048924","Formula":"C23H33NO5","All.Compound.Names":"(-)-pentazocine succinate|Dtxsid5048924|124819-25-6","logHenry":-7.935,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6788,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.94,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.797,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.9,"MP.Reference":"EPA-CCD-OPERA","MW":403.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124819-25-6"}
{"Compound":"(+)-pentazocine succinate","CAS":"124819-26-7","CAS.Checksum":true,"DTXSID":"DTXSID0048923","Formula":"C23H33NO5","All.Compound.Names":"(+)-pentazocine succinate|Dtxsid0048923|124819-26-7","logHenry":-7.935,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6788,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.94,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.797,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.9,"MP.Reference":"EPA-CCD-OPERA","MW":403.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124819-26-7"}
{"Compound":"Valacyclovir hydrochloride","CAS":"124832-27-5","CAS.Checksum":true,"DTXSID":"DTXSID2044210","Formula":"C13H21ClN6O4","All.Compound.Names":"Valacyclovir hydrochloride|Dtxsid2044210|124832-27-5","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5785,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.706,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.249,"logWSol.Reference":"EPA-CCD-OPERA","MP":236,"MP.Reference":"EPA-CCD-OPERA","MW":360.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124832-27-5"}
{"Compound":"Nadifloxacin","CAS":"124858-35-1","CAS.Checksum":true,"DTXSID":"DTXSID5046483","Formula":"C19H21FN2O4","All.Compound.Names":"Nadifloxacin|Dtxsid5046483|124858-35-1","logHenry":-9.049,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.383,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.119,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.714,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.7,"MP.Reference":"EPA-CCD-OPERA","MW":360.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.3","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"1.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124858-35-1"}
{"Compound":"Hydrocortisone 21-hemisuccinate sodium salt","CAS":"125-04-2","CAS.Checksum":true,"DTXSID":"DTXSID2049006","Formula":"C25H33NaO8","All.Compound.Names":"Hydrocortisone 21-hemisuccinate sodium salt|Dtxsid2049006|125-04-2","logHenry":-11.22,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.033,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.365,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.48,"logWSol.Reference":"EPA-CCD-OPERA","MP":250.9,"MP.Reference":"EPA-CCD-OPERA","MW":484.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"125-04-2"}
{"Compound":"Isobornyl acetate","CAS":"125-12-2","CAS.Checksum":true,"DTXSID":"DTXSID7042061","Formula":"C12H20O2","All.Compound.Names":"Isobornyl acetate|Dtxsid7042061","logHenry":-3.287,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.299,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.573,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.72,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.15,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"125-12-2"}
{"Compound":"Primidone","CAS":"125-33-7","CAS.Checksum":true,"DTXSID":"DTXSID7023510","Formula":"C12H14N2O2","All.Compound.Names":"Primidone|125-33-7|Dtxsid7023510","logHenry":-9.371,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9078,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.099,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.641,"logWSol.Reference":"EPA-CCD-OPERA","MP":281.3,"MP.Reference":"EPA-CCD-OPERA","MW":218.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.92,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"125-33-7"}
{"Compound":"Pipenzolate bromide","CAS":"125-51-9","CAS.Checksum":true,"DTXSID":"DTXSID2023480","Formula":"C22H28BrNO3","All.Compound.Names":"Pipenzolate bromide|Dtxsid2023480|125-51-9","logHenry":-8.482,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.555,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.44,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.307,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.5,"MP.Reference":"EPA-CCD-OPERA","MW":434.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"125-51-9"}
{"Compound":"Oxyphencyclimine hydrochloride","CAS":"125-52-0","CAS.Checksum":true,"DTXSID":"DTXSID6045909","Formula":"C20H29ClN2O3","All.Compound.Names":"Oxyphencyclimine hydrochloride|Dtxsid6045909|125-52-0","logHenry":-9.935,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.226,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.976,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.877,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.2,"MP.Reference":"EPA-CCD-OPERA","MW":380.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"125-52-0"}
{"Compound":"Fenpiverinium bromide","CAS":"125-60-0","CAS.Checksum":true,"DTXSID":"DTXSID0046484","Formula":"C22H29BrN2O","All.Compound.Names":"Fenpiverinium bromide|Dtxsid0046484|125-60-0","logHenry":-8.755,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.032,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.47,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.5,"logWSol.Reference":"EPA-CCD-OPERA","MP":178,"MP.Reference":"EPA-CCD-OPERA","MW":417.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"125-60-0"}
{"Compound":"Pleuromutilin","CAS":"125-65-5","CAS.Checksum":true,"DTXSID":"DTXSID9048720","Formula":"C22H34O5","All.Compound.Names":"Pleuromutilin|Dtxsid9048720|125-65-5","logHenry":-9.681,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.595,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.748,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.524,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.5,"MP.Reference":"EPA-CCD-OPERA","MW":378.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"125-65-5"}
{"Compound":"Premethadone","CAS":"125-79-1","CAS.Checksum":true,"DTXSID":"DTXSID1048912","Formula":"C19H22N2","All.Compound.Names":"Premethadone|4-dimethylamino-2,2-diphenylvaleronitrile|Dtxsid1048912|125-79-1","logHenry":-5.658,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.794,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.99,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.43,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.4,"MP.Reference":"EPA-CCD-OPERA","MW":278.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"125-79-1"}
{"Compound":"Caramiphen edisylate","CAS":"125-86-0","CAS.Checksum":true,"DTXSID":"DTXSID9047835","Formula":"C38H60N2O10S2","All.Compound.Names":"Caramiphen edisylate|Dtxsid9047835|125-86-0","logHenry":-7.729,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8149,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.829,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.996,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.2,"MP.Reference":"EPA-CCD-OPERA","MW":769,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"125-86-0"}
{"Compound":"Metconazole","CAS":"125116-23-6","CAS.Checksum":true,"DTXSID":"DTXSID4034497","Formula":"C17H22ClN3O","All.Compound.Names":"Metconazole|Dtxsid4034497|125116-23-6","logHenry":-7.24,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.85,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.555,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.174,"logWSol.Reference":"EPA-CCD-OPERA","MP":111.5,"MP.Reference":"EPA-CCD-OPERA","MW":319.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"16.7","Human.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"125116-23-6"}
{"Compound":"Vinorelbine tartrate","CAS":"125317-39-7","CAS.Checksum":true,"DTXSID":"DTXSID5047825","Formula":"C53H66N4O20","All.Compound.Names":"Vinorelbine tartrate|Dtxsid5047825|125317-39-7","logHenry":-5.53,"logHenry.Reference":"OPERA29","logP":1.63,"logP.Reference":"OPERA29","logWSol":-6.17,"logWSol.Reference":"OPERA29","MP":159,"MP.Reference":"OPERA29","MW":1079,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"125317-39-7"}
{"Compound":"Oxabolone cipioncate","CAS":"1254-35-9","CAS.Checksum":true,"DTXSID":"DTXSID3046879","Formula":"C26H38O4","All.Compound.Names":"Oxabolone cipioncate|Dtxsid3046879","logHenry":-7.134,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.406,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.283,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.3,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.5,"MP.Reference":"EPA-CCD-OPERA","MW":414.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1254-35-9"}
{"Compound":"Fluprednidene acetate","CAS":"1255-35-2","CAS.Checksum":true,"DTXSID":"DTXSID0048719","Formula":"C24H29FO6","All.Compound.Names":"Fluprednidene acetate|Dtxsid0048719|1255-35-2","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.511,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.996,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.552,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.7,"MP.Reference":"EPA-CCD-OPERA","MW":432.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1255-35-2"}
{"Compound":"Testosterone 17-phenylpropionate","CAS":"1255-49-8","CAS.Checksum":true,"DTXSID":"DTXSID5048712","Formula":"C28H36O3","All.Compound.Names":"Testosterone 17-phenylpropionate|Hydrocinnamic acid, ester with testosterone|Dtxsid5048712|Testosterone phenylpropionate","logHenry":-7.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.226,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.46,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.794,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.5,"MP.Reference":"EPA-CCD-OPERA","MW":420.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1255-49-8"}
{"Compound":"1-butyl-3-methylpyridinium chloride","CAS":"125652-55-3","CAS.Checksum":true,"DTXSID":"DTXSID2049212","Formula":"C10H16ClN","All.Compound.Names":"1-butyl-3-methylpyridinium chloride|Dtxsid2049212|125652-55-3","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8085,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.302,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.177,"logWSol.Reference":"EPA-CCD-OPERA","MP":177,"MP.Reference":"EPA-CCD-OPERA","MW":185.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"125652-55-3"}
{"Compound":"1-butyl-1-methylpiperidinium hexafluorophosphate","CAS":"1257647-66-7","CAS.Checksum":true,"DTXSID":"DTXSID8049385","Formula":"C10H22F6NP","All.Compound.Names":"1-butyl-1-methylpiperidinium hexafluorophosphate|Dtxsid8049385|1257647-66-7","logHenry":-1.182,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7172,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.61,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.267,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.5,"MP.Reference":"EPA-CCD-OPERA","MW":301.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1257647-66-7"}
{"Compound":"3-bromo-1-chloro-5,5-dimethylhydantoin","CAS":"126-06-7","CAS.Checksum":true,"DTXSID":"DTXSID7029162","Formula":"C5H6BrClN2O2","All.Compound.Names":"3-bromo-1-chloro-5,5-dimethylhydantoin|Dtxsid7029162|126-06-7","logHenry":-4.1,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.93,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.976,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.102,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.5,"MP.Reference":"EPA-CCD-OPERA","MW":241.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"126-06-7"}
{"Compound":"Griseofulvin","CAS":"126-07-8","CAS.Checksum":true,"DTXSID":"DTXSID8020674","Formula":"C17H17ClO6","All.Compound.Names":"Griseofulvin|126-07-8|Dtxsid8020674","logHenry":-8.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.181,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.256,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.326,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.7,"MP.Reference":"EPA-CCD-OPERA","MW":352.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.475,"Human.Foral.Reference":"Kim 2014","Rat.Foral":0.0394,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"126-07-8"}
{"Compound":"2-(hydroxymethyl)-2-nitro-1,3-propanediol","CAS":"126-11-4","CAS.Checksum":true,"DTXSID":"DTXSID8027034","Formula":"C4H9NO5","All.Compound.Names":"2-(hydroxymethyl)-2-nitro-1,3-propanediol|Dtxsid8027034|126-11-4","logHenry":-7.359,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.717,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.974,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9914,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.9,"MP.Reference":"EPA-CCD-OPERA","MW":151.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"126-11-4"}
{"Compound":"Butonate","CAS":"126-22-7","CAS.Checksum":true,"DTXSID":"DTXSID5041697","Formula":"C8H14Cl3O5P","All.Compound.Names":"Butonate|Dtxsid5041697","logHenry":-8.553,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.94,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.7,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.045,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.93,"MP.Reference":"EPA-CCD-OPERA","MW":327.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"126-22-7"}
{"Compound":"Oxethazaine","CAS":"126-27-2","CAS.Checksum":true,"DTXSID":"DTXSID0025818","Formula":"C28H41N3O3","All.Compound.Names":"Oxethazaine|Dtxsid0025818|126-27-2","logHenry":-11,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.22,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.988,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.923,"logWSol.Reference":"EPA-CCD-OPERA","MP":104,"MP.Reference":"EPA-CCD-OPERA","MW":467.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"126-27-2"}
{"Compound":"2,2-dimethylpropane-1,3-diol","CAS":"126-30-7","CAS.Checksum":true,"DTXSID":"DTXSID8027036","Formula":"C5H12O2","All.Compound.Names":"2,2-dimethylpropane-1,3-diol|Dtxsid8027036|126-30-7","logHenry":-7.042,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3198,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.414,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.031,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.4,"MP.Reference":"EPA-CCD-OPERA","MW":104.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"126-30-7"}
{"Compound":"Sulfolane","CAS":"126-33-0","CAS.Checksum":true,"DTXSID":"DTXSID3027037","Formula":"C4H8O2S","All.Compound.Names":"Sulfolane|Dtxsid3027037","logHenry":-7.194,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7693,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.18,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.345,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.66,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"126-33-0"}
{"Compound":"Dipentaerythritol","CAS":"126-58-9","CAS.Checksum":true,"DTXSID":"DTXSID3027039","Formula":"C10H22O7","All.Compound.Names":"Dipentaerythritol|Dtxsid3027039|126-58-9","logHenry":-8.615,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.341,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.85,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.957,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.9,"MP.Reference":"EPA-CCD-OPERA","MW":254.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"126-58-9"}
{"Compound":"Linalyl benzoate","CAS":"126-64-7","CAS.Checksum":true,"DTXSID":"DTXSID2047191","Formula":"C17H22O2","All.Compound.Names":"Linalyl benzoate|Dtxsid2047191","logHenry":-5.905,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.192,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.227,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.984,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.59,"MP.Reference":"EPA-CCD-OPERA","MW":258.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"126-64-7"}
{"Compound":"Triisobutyl phosphate","CAS":"126-71-6","CAS.Checksum":true,"DTXSID":"DTXSID8040698","Formula":"C12H27O4P","All.Compound.Names":"Triisobutyl phosphate|Dtxsid8040698","logHenry":-5.714,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.145,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.236,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.178,"logWSol.Reference":"EPA-CCD-OPERA","MP":-66.48,"MP.Reference":"EPA-CCD-OPERA","MW":266.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"126-71-6"}
{"Compound":"Demeton-s","CAS":"126-75-0","CAS.Checksum":true,"DTXSID":"DTXSID9037535","Formula":"C8H19O3PS2","All.Compound.Names":"Demeton-s|Dtxsid9037535","logHenry":-6.366,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.007,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.985,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.11,"logWSol.Reference":"EPA-CCD-OPERA","MP":-13.68,"MP.Reference":"EPA-CCD-OPERA","MW":258.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"126-75-0"}
{"Compound":"Sodium 3-chloro-2-hydroxypropane-1-sulfonate","CAS":"126-83-0","CAS.Checksum":true,"DTXSID":"DTXSID4044793","Formula":"C3H6ClNaO4S","All.Compound.Names":"Sodium 3-chloro-2-hydroxypropane-1-sulfonate|Sodium 3-chloro-2-hydroxypropylsulfonate|Dtxsid4044793|126-83-0","logHenry":-7.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.376,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1535,"logWSol.Reference":"EPA-CCD-OPERA","MP":216,"MP.Reference":"EPA-CCD-OPERA","MW":196.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"126-83-0"}
{"Compound":"Nitrogen mustard n-oxide","CAS":"126-85-2","CAS.Checksum":true,"DTXSID":"DTXSID7020976","Formula":"C5H11Cl2NO","All.Compound.Names":"Nitrogen mustard n-oxide|Dtxsid7020976|126-85-2","logHenry":-4.146,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.139,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.612,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.145,"logWSol.Reference":"EPA-CCD-OPERA","MP":-66.18,"MP.Reference":"EPA-CCD-OPERA","MW":172,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"126-85-2"}
{"Compound":"2,4,7,9-tetramethyl-5-decyne-4,7-diol","CAS":"126-86-3","CAS.Checksum":true,"DTXSID":"DTXSID7027041","Formula":"C14H26O2","All.Compound.Names":"2,4,7,9-tetramethyl-5-decyne-4,7-diol|Dtxsid7027041|126-86-3","logHenry":-5.289,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.337,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.598,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.341,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.09,"MP.Reference":"EPA-CCD-OPERA","MW":226.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"126-86-3"}
{"Compound":"Sodium ethasulfate","CAS":"126-92-1","CAS.Checksum":true,"DTXSID":"DTXSID1026033","Formula":"C8H17NaO4S","All.Compound.Names":"Sodium ethasulfate|Dtxsid1026033|126-92-1","logHenry":-7.545,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2429,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.151,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8782,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.8,"MP.Reference":"EPA-CCD-OPERA","MW":232.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"126-92-1"}
{"Compound":"Methacrylonitrile","CAS":"126-98-7","CAS.Checksum":true,"DTXSID":"DTXSID1024176","Formula":"C4H5N","All.Compound.Names":"Methacrylonitrile|Dtxsid1024176","logHenry":-4.962,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6778,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.134,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4185,"logWSol.Reference":"EPA-CCD-OPERA","MP":-36.66,"MP.Reference":"EPA-CCD-OPERA","MW":67.09,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"126-98-7"}
{"Compound":"Paromomycin sulfate","CAS":"1263-89-4","CAS.Checksum":true,"DTXSID":"DTXSID5047829","All.Compound.Names":"Paromomycin sulfate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1263-89-4"}
{"Compound":"Erythromycin ethylsuccinate","CAS":"1264-62-6","CAS.Checksum":true,"DTXSID":"DTXSID4022993","Formula":"C43H75NO16","All.Compound.Names":"Erythromycin ethylsuccinate|Dtxsid4022993|1264-62-6","logHenry":-9.933,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.538,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.015,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.542,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.4,"MP.Reference":"EPA-CCD-OPERA","MW":862.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1264-62-6"}
{"Compound":"Colistin sulfate","CAS":"1264-72-8","CAS.Checksum":true,"DTXSID":"DTXSID3045352","All.Compound.Names":"Colistin sulfate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1264-72-8"}
{"Compound":"2-ethylhexyl phosphate","CAS":"12645-31-7","CAS.Checksum":true,"DTXSID":"DTXSID3027740","All.Compound.Names":"2-ethylhexyl phosphate|2-ethylhexyl acid phosphate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"12645-31-7"}
{"Compound":"Mupirocin","CAS":"12650-69-0","CAS.Checksum":true,"DTXSID":"DTXSID0046438","Formula":"C26H44O9","All.Compound.Names":"Mupirocin|Dtxsid0046438|12650-69-0","logHenry":-8.753,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.077,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.377,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.874,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.3,"MP.Reference":"EPA-CCD-OPERA","MW":500.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"12650-69-0"}
{"Compound":"Aroclor 1016","CAS":"12674-11-2","CAS.Checksum":true,"DTXSID":"DTXSID9023883","All.Compound.Names":"Aroclor 1016","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"12674-11-2"}
{"Compound":"1-butyl-2-methylpyridinium hexafluorophosphate","CAS":"1268986-44-2","CAS.Checksum":true,"DTXSID":"DTXSID8049389","Formula":"C10H16F6NP","All.Compound.Names":"1-butyl-2-methylpyridinium hexafluorophosphate|Dtxsid8049389|1268986-44-2","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7091,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.784,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.5,"MP.Reference":"EPA-CCD-OPERA","MW":295.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1268986-44-2"}
{"Compound":"Potassium acetate","CAS":"127-08-2","CAS.Checksum":true,"DTXSID":"DTXSID7027043","Formula":"C2H3KO2","All.Compound.Names":"Potassium acetate|Dtxsid7027043|127-08-2","logHenry":-6.998,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.63,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.86,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":291.9,"MP.Reference":"EPA-CCD-OPERA","MW":98.14,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127-08-2"}
{"Compound":"Sodium acetate","CAS":"127-09-3","CAS.Checksum":true,"DTXSID":"DTXSID2027044","Formula":"C2H3NaO2","All.Compound.Names":"Sodium acetate|Dtxsid2027044|127-09-3","logHenry":-6.998,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.22,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.45,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":323.6,"MP.Reference":"EPA-CCD-OPERA","MW":82.03,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127-09-3"}
{"Compound":"2-oxopropanoic acid","CAS":"127-17-3","CAS.Checksum":true,"DTXSID":"DTXSID2021650","Formula":"C3H4O3","All.Compound.Names":"2-oxopropanoic acid|Pyruvic acid|Dtxsid2021650|127-17-3","logHenry":-8.489,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2023,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.297,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.053,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.86,"MP.Reference":"EPA-CCD-OPERA","MW":88.06,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127-17-3"}
{"Compound":"Tetrachloroethylene","CAS":"127-18-4","CAS.Checksum":true,"DTXSID":"DTXSID2021319","Formula":"C2Cl4","All.Compound.Names":"Tetrachloroethylene|Dtxsid2021319","logHenry":-1.752,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.4,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1122,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.775,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.23,"MP.Reference":"EPA-CCD-OPERA","MW":165.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.0548","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.2463","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"0.2971","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.2211","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"127-18-4"}
{"Compound":"N,n-dimethylacetamide","CAS":"127-19-5","CAS.Checksum":true,"DTXSID":"DTXSID5020499","Formula":"C4H9NO","All.Compound.Names":"N,n-dimethylacetamide|Dtxsid5020499|127-19-5","logHenry":-7.881,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7712,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.731,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.075,"logWSol.Reference":"EPA-CCD-OPERA","MP":-20.12,"MP.Reference":"EPA-CCD-OPERA","MW":87.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127-19-5"}
{"Compound":"Dalapon-sodium","CAS":"127-20-8","CAS.Checksum":true,"DTXSID":"DTXSID5024001","Formula":"C3H3Cl2NaO2","All.Compound.Names":"Dalapon-sodium|Dtxsid5024001|127-20-8","logHenry":-7.172,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9841,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.607,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5598,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.3,"MP.Reference":"EPA-CCD-OPERA","MW":164.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127-20-8"}
{"Compound":"Methyl abietate","CAS":"127-25-3","CAS.Checksum":true,"DTXSID":"DTXSID9048190","Formula":"C21H32O2","All.Compound.Names":"Methyl abietate|Dtxsid9048190","logHenry":-6.115,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.789,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.581,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.936,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.05544,"MP.Reference":"EPA-CCD-OPERA","MW":316.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127-25-3"}
{"Compound":"Fludrocortisone","CAS":"127-31-1","CAS.Checksum":true,"DTXSID":"DTXSID7023061","Formula":"C21H29FO5","All.Compound.Names":"Fludrocortisone|Dtxsid7023061|127-31-1","logHenry":-10.2,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.67,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.624,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.433,"logWSol.Reference":"EPA-CCD-OPERA","MP":226.4,"MP.Reference":"EPA-CCD-OPERA","MW":380.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127-31-1"}
{"Compound":"Sodium 1,4-diisobutyl sulfosuccinate","CAS":"127-39-9","CAS.Checksum":true,"DTXSID":"DTXSID7029164","Formula":"C12H21NaO7S","All.Compound.Names":"Sodium 1,4-diisobutyl sulfosuccinate|Dtxsid7029164|127-39-9","logHenry":-10.05,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4039,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.405,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.2,"MP.Reference":"EPA-CCD-OPERA","MW":332.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127-39-9"}
{"Compound":"Lutein","CAS":"127-40-2","CAS.Checksum":true,"DTXSID":"DTXSID8046749","Formula":"C40H56O2","All.Compound.Names":"Lutein|Lutein a|Dtxsid8046749|127-40-2","logHenry":-6.999,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.991,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2745,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.997,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.9,"MP.Reference":"EPA-CCD-OPERA","MW":568.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127-40-2"}
{"Compound":"Alpha-ionone","CAS":"127-41-3","CAS.Checksum":true,"DTXSID":"DTXSID0035160","Formula":"C13H20O","All.Compound.Names":"Alpha-ionone|Dtxsid0035160","logHenry":-4.319,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.851,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.274,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.283,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.56,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127-41-3"}
{"Compound":"Retinol acetate","CAS":"127-47-9","CAS.Checksum":true,"DTXSID":"DTXSID6021240","Formula":"C22H32O2","All.Compound.Names":"Retinol acetate|Dtxsid6021240","logHenry":-5.045,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.073,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.818,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.918,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.2,"MP.Reference":"EPA-CCD-OPERA","MW":328.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127-47-9"}
{"Compound":"Sulfabenzamide","CAS":"127-71-9","CAS.Checksum":true,"DTXSID":"DTXSID7045287","Formula":"C13H12N2O3S","All.Compound.Names":"Sulfabenzamide|Dtxsid7045287|127-71-9","logHenry":-10.47,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.412,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.76,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.95,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.6,"MP.Reference":"EPA-CCD-OPERA","MW":276.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127-71-9"}
{"Compound":"Sulfabenz","CAS":"127-77-5","CAS.Checksum":true,"DTXSID":"DTXSID9046287","Formula":"C12H12N2O2S","All.Compound.Names":"Sulfabenz|Dtxsid9046287|127-77-5","logHenry":-10.38,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.553,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.494,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.953,"logWSol.Reference":"EPA-CCD-OPERA","MP":200,"MP.Reference":"EPA-CCD-OPERA","MW":248.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127-77-5"}
{"Compound":"Sulfamerazine","CAS":"127-79-7","CAS.Checksum":true,"DTXSID":"DTXSID0023612","Formula":"C11H12N4O2S","All.Compound.Names":"Sulfamerazine|127-79-7|Dtxsid0023612","logHenry":-10.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1413,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.06,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.401,"logWSol.Reference":"EPA-CCD-OPERA","MP":236.5,"MP.Reference":"EPA-CCD-OPERA","MW":264.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.81,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"127-79-7"}
{"Compound":"Sodium arsanilate","CAS":"127-85-5","CAS.Checksum":true,"DTXSID":"DTXSID2026022","Formula":"C6H7AsNNaO3","All.Compound.Names":"Sodium arsanilate","MW":239,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127-85-5"}
{"Compound":"Beta-pinene","CAS":"127-91-3","CAS.Checksum":true,"DTXSID":"DTXSID7027049","Formula":"C10H16","All.Compound.Names":"Beta-pinene|Dtxsid7027049","logHenry":-1.215,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.161,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3154,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.566,"logWSol.Reference":"EPA-CCD-OPERA","MP":-60.6,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127-91-3"}
{"Compound":"Titanocene dichloride","CAS":"1271-19-8","CAS.Checksum":true,"DTXSID":"DTXSID3021354","Formula":"C10H10Cl2Ti","All.Compound.Names":"Titanocene dichloride","MW":249,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1271-19-8"}
{"Compound":"Bis(eta(5)-2,4-cyclopentadien-1-yl) chromium","CAS":"1271-24-5","CAS.Checksum":true,"DTXSID":"DTXSID7024615","Formula":"C10H10Cr","All.Compound.Names":"Bis(eta(5)-2,4-cyclopentadien-1-yl) chromium|Bis(cyclopentadiene)chromium(ii)|Dtxsid7024615","logHenry":-1.69,"logHenry.Reference":"OPERA29","logP":2.33,"logP.Reference":"OPERA29","logWSol":-1.92,"logWSol.Reference":"OPERA29","MP":0,"MP.Reference":"OPERA29","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1271-24-5"}
{"Compound":"Nickelocene","CAS":"1271-28-9","CAS.Checksum":true,"DTXSID":"DTXSID8025709","Formula":"C10H10Ni","All.Compound.Names":"Nickelocene","MW":188.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1271-28-9"}
{"Compound":"Balofloxacin","CAS":"127294-70-6","CAS.Checksum":true,"DTXSID":"DTXSID5046695","Formula":"C20H24FN3O4","All.Compound.Names":"Balofloxacin|Dtxsid5046695|127294-70-6","logHenry":-10.42,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.957,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.574,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.373,"logWSol.Reference":"EPA-CCD-OPERA","MP":224.4,"MP.Reference":"EPA-CCD-OPERA","MW":389.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127294-70-6"}
{"Compound":"Zamifenacin fumarate","CAS":"127308-98-9","CAS.Checksum":true,"DTXSID":"DTXSID9049037","Formula":"C31H33NO7","All.Compound.Names":"Zamifenacin fumarate|Dtxsid9049037|127308-98-9","logHenry":-7.034,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6764,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.01,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.191,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.7,"MP.Reference":"EPA-CCD-OPERA","MW":531.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127308-98-9"}
{"Compound":"Fananserin","CAS":"127625-29-0","CAS.Checksum":true,"DTXSID":"DTXSID8046743","Formula":"C23H24FN3O2S","All.Compound.Names":"Fananserin|Dtxsid8046743|127625-29-0","logHenry":-6.576,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.167,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.518,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.009,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.7,"MP.Reference":"EPA-CCD-OPERA","MW":425.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127625-29-0"}
{"Compound":"Cobaltocene","CAS":"1277-43-6","CAS.Checksum":true,"DTXSID":"DTXSID0024840","Formula":"C10H10Co","All.Compound.Names":"Cobaltocene|Dtxsid0024840","logHenry":-1.69,"logHenry.Reference":"OPERA29","logP":2.33,"logP.Reference":"OPERA29","logWSol":-1.92,"logWSol.Reference":"OPERA29","MP":13,"MP.Reference":"OPERA29","MW":189.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1277-43-6"}
{"Compound":"Ancymidol","CAS":"12771-68-5","CAS.Checksum":true,"DTXSID":"DTXSID2034338","Formula":"C15H16N2O2","All.Compound.Names":"Ancymidol|Dtxsid2034338|12771-68-5","logHenry":-10.8,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.91,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.535,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.602,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.6,"MP.Reference":"EPA-CCD-OPERA","MW":256.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"12771-68-5"}
{"Compound":"Chlordane, technical grade","CAS":"12789-03-6","CAS.Checksum":true,"DTXSID":"DTXSID5023954","All.Compound.Names":"Chlordane, technical grade|Technical chlordane","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"12789-03-6"}
{"Compound":"Iomazenil","CAS":"127985-21-1","CAS.Checksum":true,"DTXSID":"DTXSID9048774","Formula":"C15H14IN3O3","All.Compound.Names":"Iomazenil|Dtxsid9048774|127985-21-1","logHenry":-8.848,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.249,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.44,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.517,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.3,"MP.Reference":"EPA-CCD-OPERA","MW":411.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127985-21-1"}
{"Compound":"Sodium dimethyldithiocarbamate","CAS":"128-04-1","CAS.Checksum":true,"DTXSID":"DTXSID6027050","Formula":"C3H6NNaS2","All.Compound.Names":"Sodium dimethyldithiocarbamate|Dtxsid6027050|128-04-1","logHenry":-7.986,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.05426,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.416,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.504,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.08,"MP.Reference":"EPA-CCD-OPERA","MW":143.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"128-04-1"}
{"Compound":"N-chlorosuccinimide","CAS":"128-09-6","CAS.Checksum":true,"DTXSID":"DTXSID2042199","Formula":"C4H4ClNO2","All.Compound.Names":"N-chlorosuccinimide|Dtxsid2042199|128-09-6","logHenry":-4.772,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2278,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.23,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9667,"logWSol.Reference":"EPA-CCD-OPERA","MP":150,"MP.Reference":"EPA-CCD-OPERA","MW":133.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"128-09-6"}
{"Compound":"Butylated hydroxytoluene","CAS":"128-37-0","CAS.Checksum":true,"DTXSID":"DTXSID2020216","Formula":"C15H24O","All.Compound.Names":"Butylated hydroxytoluene|Dtxsid2020216|128-37-0","logHenry":-5.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.099,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.187,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.56,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.55,"MP.Reference":"EPA-CCD-OPERA","MW":220.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"128-37-0"}
{"Compound":"Sodium saccharin","CAS":"128-44-9","CAS.Checksum":true,"DTXSID":"DTXSID5021253","Formula":"C7H4NNaO3S","All.Compound.Names":"Sodium saccharin|Dtxsid5021253|128-44-9","logHenry":-8.641,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.337,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.82,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.026,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.9,"MP.Reference":"EPA-CCD-OPERA","MW":205.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"128-44-9"}
{"Compound":"Noscapine","CAS":"128-62-1","CAS.Checksum":true,"DTXSID":"DTXSID4023385","Formula":"C22H23NO7","All.Compound.Names":"Noscapine|128-62-1|Dtxsid4023385","logHenry":-8.024,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.597,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.089,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.247,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.9,"MP.Reference":"EPA-CCD-OPERA","MW":413.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.3,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"128-62-1"}
{"Compound":"1,4-diaminoanthraquinone","CAS":"128-95-0","CAS.Checksum":true,"DTXSID":"DTXSID2041252","Formula":"C14H10N2O2","All.Compound.Names":"1,4-diaminoanthraquinone|Dtxsid2041252|128-95-0","logHenry":-9.711,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.998,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.269,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.86,"logWSol.Reference":"EPA-CCD-OPERA","MP":268.3,"MP.Reference":"EPA-CCD-OPERA","MW":238.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"128-95-0"}
{"Compound":"Cinalukast","CAS":"128312-51-6","CAS.Checksum":true,"DTXSID":"DTXSID1045742","Formula":"C23H28N2O3S","All.Compound.Names":"Cinalukast|Dtxsid1045742|128312-51-6","logHenry":-8.323,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.853,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.764,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.037,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.6,"MP.Reference":"EPA-CCD-OPERA","MW":412.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"128312-51-6"}
{"Compound":"Minopafant","CAS":"128420-61-1","CAS.Checksum":true,"DTXSID":"DTXSID7048798","Formula":"C46H73ClN4O9","All.Compound.Names":"Minopafant|Dtxsid7048798|128420-61-1","logHenry":-7.702,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.863,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.793,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.358,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.9,"MP.Reference":"EPA-CCD-OPERA","MW":861.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"128420-61-1"}
{"Compound":"Mycophenolate mofetil","CAS":"128794-94-5","CAS.Checksum":true,"DTXSID":"DTXSID3023340","Formula":"C23H31NO7","All.Compound.Names":"Mycophenolate mofetil|Dtxsid3023340|128794-94-5","logHenry":-7.479,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.383,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.878,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.731,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.1,"MP.Reference":"EPA-CCD-OPERA","MW":433.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"128794-94-5"}
{"Compound":"Cyproheptadine","CAS":"129-03-3","CAS.Checksum":true,"DTXSID":"DTXSID8022872","Formula":"C21H21N","All.Compound.Names":"Cyproheptadine|Dtxsid8022872|129-03-3","logHenry":-5.53,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.69,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.927,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.906,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.7,"MP.Reference":"EPA-CCD-OPERA","MW":287.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"129-03-3"}
{"Compound":"Sodium warfarin","CAS":"129-06-6","CAS.Checksum":true,"DTXSID":"DTXSID7035010","Formula":"C19H15NaO4","All.Compound.Names":"Sodium warfarin|Dtxsid7035010|129-06-6","logHenry":-10.43,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6712,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.851,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.741,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.7,"MP.Reference":"EPA-CCD-OPERA","MW":330.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"129-06-6"}
{"Compound":"2-methyl-1-nitroanthraquinone","CAS":"129-15-7","CAS.Checksum":true,"DTXSID":"DTXSID7020847","Formula":"C15H9NO4","All.Compound.Names":"2-methyl-1-nitroanthraquinone|Dtxsid7020847|129-15-7","logHenry":-7.665,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.701,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.702,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.409,"logWSol.Reference":"EPA-CCD-OPERA","MP":270.1,"MP.Reference":"EPA-CCD-OPERA","MW":267.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"129-15-7"}
{"Compound":"Mercurochrome","CAS":"129-16-8","CAS.Checksum":true,"DTXSID":"DTXSID0045545","Formula":"C20H8Br2HgNa2O6","All.Compound.Names":"Mercurochrome","MW":750.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"129-16-8"}
{"Compound":"Sulfan blue","CAS":"129-17-9","CAS.Checksum":true,"DTXSID":"DTXSID3026065","Formula":"C27H31N2NaO6S2","All.Compound.Names":"Sulfan blue|Dtxsid3026065|C.i. acid blue 1, sodium salt|129-17-9","logHenry":-10.85,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.424,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.276,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.762,"logWSol.Reference":"EPA-CCD-OPERA","MP":228,"MP.Reference":"EPA-CCD-OPERA","MW":566.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"129-17-9"}
{"Compound":"Oxyphenbutazone","CAS":"129-20-4","CAS.Checksum":true,"DTXSID":"DTXSID1045291","Formula":"C19H20N2O3","All.Compound.Names":"Oxyphenbutazone|Dtxsid1045291|129-20-4","logHenry":-9.106,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.721,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.752,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.735,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.07,"MP.Reference":"EPA-CCD-OPERA","MW":324.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"129-20-4"}
{"Compound":"Sp600125","CAS":"129-56-6","CAS.Checksum":true,"DTXSID":"DTXSID2040525","Formula":"C14H8N2O","All.Compound.Names":"Sp600125|Anthra(1,9-cd)pyrazol-6(2h)-one|Dtxsid2040525|129-56-6","logHenry":-9.202,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.973,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.182,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.626,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.4,"MP.Reference":"EPA-CCD-OPERA","MW":220.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"129-56-6"}
{"Compound":"Buclizine dihydrochloride","CAS":"129-74-8","CAS.Checksum":true,"DTXSID":"DTXSID5045091","Formula":"C28H35Cl3N2","All.Compound.Names":"Buclizine dihydrochloride|Dtxsid5045091|129-74-8","logHenry":-5.933,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.583,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.1,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.419,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.3,"MP.Reference":"EPA-CCD-OPERA","MW":506,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"129-74-8"}
{"Compound":"Piperidolate hydrochloride","CAS":"129-77-1","CAS.Checksum":true,"DTXSID":"DTXSID6045292","Formula":"C21H26ClNO2","All.Compound.Names":"Piperidolate hydrochloride|Crapinon|Dtxsid6045292|129-77-1","logHenry":-7.585,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.423,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.186,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.073,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.8,"MP.Reference":"EPA-CCD-OPERA","MW":359.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"129-77-1"}
{"Compound":"Iodoantipyrine","CAS":"129-81-7","CAS.Checksum":true,"DTXSID":"DTXSID7046047","Formula":"C11H11IN2O","All.Compound.Names":"Iodoantipyrine|Dtxsid7046047|129-81-7","logHenry":-4.925,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.273,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.141,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.481,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.84,"MP.Reference":"EPA-CCD-OPERA","MW":314.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"129-81-7"}
{"Compound":"Zirconocene dichloride","CAS":"1291-32-3","CAS.Checksum":true,"DTXSID":"DTXSID7026318","Formula":"C10H10Cl2Zr","All.Compound.Names":"Zirconocene dichloride","MW":292.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1291-32-3"}
{"Compound":"Rivastigmine tartrate","CAS":"129101-54-8","CAS.Checksum":true,"DTXSID":"DTXSID8047840","Formula":"C18H28N2O8","All.Compound.Names":"Rivastigmine tartrate|Dtxsid8047840|129101-54-8","logHenry":-7.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7881,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.625,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.656,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.3,"MP.Reference":"EPA-CCD-OPERA","MW":400.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"129101-54-8"}
{"Compound":"Perospirone hydrochloride","CAS":"129273-38-7","CAS.Checksum":true,"DTXSID":"DTXSID9046449","Formula":"C23H31ClN4O2S","All.Compound.Names":"Perospirone hydrochloride|Dtxsid9046449|129273-38-7","logHenry":-7.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.499,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.18,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.671,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.3,"MP.Reference":"EPA-CCD-OPERA","MW":463,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"129273-38-7"}
{"Compound":"Tnp-470","CAS":"129298-91-5","CAS.Checksum":true,"DTXSID":"DTXSID0041141","Formula":"C19H28ClNO6","All.Compound.Names":"Tnp-470|O-(chloroacetylcarbamoyl)fumagillol|Dtxsid0041141|129298-91-5","logHenry":-8.416,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.759,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.617,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.095,"logWSol.Reference":"EPA-CCD-OPERA","MP":88.51,"MP.Reference":"EPA-CCD-OPERA","MW":401.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"129298-91-5"}
{"Compound":"Fabesetron","CAS":"129300-27-2","CAS.Checksum":true,"DTXSID":"DTXSID2048169","Formula":"C18H19N3O","All.Compound.Names":"Fabesetron|Dtxsid2048169|129300-27-2","logHenry":-9.633,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.175,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.259,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.695,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.5,"MP.Reference":"EPA-CCD-OPERA","MW":293.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"129300-27-2"}
{"Compound":"Verteporfin","CAS":"129497-78-5","CAS.Checksum":true,"DTXSID":"DTXSID2045604","All.Compound.Names":"Verteporfin","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"129497-78-5"}
{"Compound":"Argipressin acetate","CAS":"129979-57-3","CAS.Checksum":true,"DTXSID":"DTXSID2046597","Formula":"C48H69N15O14S2","All.Compound.Names":"Argipressin acetate|Dtxsid2046597|129979-57-3","logHenry":-10.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8127,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.824,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.871,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.6,"MP.Reference":"EPA-CCD-OPERA","MW":1144,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"129979-57-3"}
{"Compound":"Sodium 1-naphthalenesulfonate","CAS":"130-14-3","CAS.Checksum":true,"DTXSID":"DTXSID3042394","Formula":"C10H7NaO3S","All.Compound.Names":"Sodium 1-naphthalenesulfonate|Dtxsid3042394|130-14-3","logHenry":-9.22,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.505,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.71,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5413,"logWSol.Reference":"EPA-CCD-OPERA","MP":98,"MP.Reference":"EPA-CCD-OPERA","MW":230.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"130-14-3"}
{"Compound":"1,4-naphthoquinone","CAS":"130-15-4","CAS.Checksum":true,"DTXSID":"DTXSID5040704","Formula":"C10H6O2","All.Compound.Names":"1,4-naphthoquinone|Dtxsid5040704","logHenry":-5.792,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.708,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.014,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.568,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.3,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"130-15-4"}
{"Compound":"Cloxyquin","CAS":"130-16-5","CAS.Checksum":true,"DTXSID":"DTXSID4045973","Formula":"C9H6ClNO","All.Compound.Names":"Cloxyquin|Dtxsid4045973|130-16-5","logHenry":-6.995,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.873,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.324,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.973,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.1,"MP.Reference":"EPA-CCD-OPERA","MW":179.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.76","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"130-16-5"}
{"Compound":"2-(4-aminophenyl)-6-methylbenzothiazole sulfonic acid","CAS":"130-17-6","CAS.Checksum":true,"DTXSID":"DTXSID0024501","Formula":"C14H12N2O3S2","All.Compound.Names":"2-(4-aminophenyl)-6-methylbenzothiazole sulfonic acid|Dtxsid0024501|130-17-6","logHenry":-8.939,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.483,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.941,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.661,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.4,"MP.Reference":"EPA-CCD-OPERA","MW":320.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"130-17-6"}
{"Compound":"D&c blue no. 9","CAS":"130-20-1","CAS.Checksum":true,"DTXSID":"DTXSID9044532","Formula":"C28H12Cl2N2O4","All.Compound.Names":"D&c blue no. 9|7,16-dichloro-6,15-dihydro anthrazine- 5,9,14,18-tetrone|Dtxsid9044532|130-20-1","logHenry":-11.6,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.062,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.683,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.268,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.2,"MP.Reference":"EPA-CCD-OPERA","MW":511.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1,0.9415,1","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"130-20-1"}
{"Compound":"Clioquinol","CAS":"130-26-7","CAS.Checksum":true,"DTXSID":"DTXSID7022837","Formula":"C9H5ClINO","All.Compound.Names":"Clioquinol|Dtxsid7022837|130-26-7","logHenry":-5.215,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.343,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.949,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.336,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.4,"MP.Reference":"EPA-CCD-OPERA","MW":305.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.61","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.458","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"130-26-7"}
{"Compound":"Menadione sodium bisulfite","CAS":"130-37-0","CAS.Checksum":true,"DTXSID":"DTXSID0040547","Formula":"C11H9NaO5S","All.Compound.Names":"Menadione sodium bisulfite|Dtxsid0040547|130-37-0","logHenry":-10.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.712,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.71,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.08646,"logWSol.Reference":"EPA-CCD-OPERA","MP":133,"MP.Reference":"EPA-CCD-OPERA","MW":276.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"130-37-0"}
{"Compound":"Thioridazine hydrochloride","CAS":"130-61-0","CAS.Checksum":true,"DTXSID":"DTXSID9049401","Formula":"C21H27ClN2S2","All.Compound.Names":"Thioridazine hydrochloride|Dtxsid9049401|130-61-0","logHenry":-5.512,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.351,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.34,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.934,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.2,"MP.Reference":"EPA-CCD-OPERA","MW":407,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"130-61-0"}
{"Compound":"Diethylstilbestrol dipropionate","CAS":"130-80-3","CAS.Checksum":true,"DTXSID":"DTXSID7047146","Formula":"C24H28O4","All.Compound.Names":"Diethylstilbestrol dipropionate|Dtxsid7047146","logHenry":-7.433,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.566,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.171,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.049,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.8,"MP.Reference":"EPA-CCD-OPERA","MW":380.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"130-80-3"}
{"Compound":"Pamoic acid","CAS":"130-85-8","CAS.Checksum":true,"DTXSID":"DTXSID9048984","Formula":"C23H16O6","All.Compound.Names":"Pamoic acid|Dtxsid9048984|130-85-8","logHenry":-9.951,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.271,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.173,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.889,"logWSol.Reference":"EPA-CCD-OPERA","MP":314.9,"MP.Reference":"EPA-CCD-OPERA","MW":388.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"130-85-8"}
{"Compound":"Sodium xylenesulfonate","CAS":"1300-72-7","CAS.Checksum":true,"DTXSID":"DTXSID3026302","All.Compound.Names":"Sodium xylenesulfonate","logHenry":-0.15,"logHenry.Reference":"OPERA29","logP":1.09,"logP.Reference":"OPERA29","logWSol":-2.2,"logWSol.Reference":"OPERA29","MP":-182,"MP.Reference":"OPERA29","MW":16.03,"MW.Reference":"OPERA29","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1300-72-7"}
{"Compound":"Dimethylaniline","CAS":"1300-73-8","CAS.Checksum":true,"DTXSID":"DTXSID8027377","All.Compound.Names":"Dimethylaniline","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1300-73-8"}
{"Compound":"Amylmetacresol","CAS":"1300-94-3","CAS.Checksum":true,"DTXSID":"DTXSID8046791","Formula":"C12H18O","All.Compound.Names":"Amylmetacresol|Dtxsid8046791|1300-94-3","logHenry":-5.702,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.895,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.689,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.132,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.48,"MP.Reference":"EPA-CCD-OPERA","MW":178.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1300-94-3"}
{"Compound":"N-butyl-n'-nitro-n-nitrosoguanidine","CAS":"13010-08-7","CAS.Checksum":true,"DTXSID":"DTXSID7020213","Formula":"C5H11N5O3","All.Compound.Names":"N-butyl-n'-nitro-n-nitrosoguanidine|Dtxsid7020213|13010-08-7","logHenry":-8.218,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7327,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.692,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.074,"logWSol.Reference":"EPA-CCD-OPERA","MP":208.1,"MP.Reference":"EPA-CCD-OPERA","MW":189.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13010-08-7"}
{"Compound":"Lomustine","CAS":"13010-47-4","CAS.Checksum":true,"DTXSID":"DTXSID2023222","Formula":"C9H16ClN3O2","All.Compound.Names":"Lomustine|13010-47-4|Dtxsid2023222","logHenry":-8.585,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.829,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.628,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.092,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.06,"MP.Reference":"EPA-CCD-OPERA","MW":233.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"13010-47-4"}
{"Compound":"2,4-dichloro-1-(trichloromethyl)benzene","CAS":"13014-18-1","CAS.Checksum":true,"DTXSID":"DTXSID3025839","Formula":"C7H3Cl5","All.Compound.Names":"2,4-dichloro-1-(trichloromethyl)benzene|Dtxsid3025839","logHenry":-2.865,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.296,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.528,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.822,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.27,"MP.Reference":"EPA-CCD-OPERA","MW":264.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13014-18-1"}
{"Compound":"1,2-dichloro-4-(trichloromethyl)benzene","CAS":"13014-24-9","CAS.Checksum":true,"DTXSID":"DTXSID2025840","Formula":"C7H3Cl5","All.Compound.Names":"1,2-dichloro-4-(trichloromethyl)benzene|Dtxsid2025840","logHenry":-2.919,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.695,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.821,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.76,"MP.Reference":"EPA-CCD-OPERA","MW":264.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13014-24-9"}
{"Compound":"9-decen-1-ol","CAS":"13019-22-2","CAS.Checksum":true,"DTXSID":"DTXSID6047656","Formula":"C10H20O","All.Compound.Names":"9-decen-1-ol|Dtxsid6047656|13019-22-2","logHenry":-4.694,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.835,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.744,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.202,"logWSol.Reference":"EPA-CCD-OPERA","MP":10.73,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13019-22-2"}
{"Compound":"3-hydroxybenzophenone","CAS":"13020-57-0","CAS.Checksum":true,"DTXSID":"DTXSID4047880","Formula":"C13H10O2","All.Compound.Names":"3-hydroxybenzophenone|Dtxsid4047880|13020-57-0","logHenry":-8.877,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.152,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.777,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.449,"logWSol.Reference":"EPA-CCD-OPERA","MP":165,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13020-57-0"}
{"Compound":"2,2'-dichlorobiphenyl","CAS":"13029-08-8","CAS.Checksum":true,"DTXSID":"DTXSID4044533","Formula":"C12H8Cl2","All.Compound.Names":"2,2'-dichlorobiphenyl|Dtxsid4044533","logHenry":-3.638,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.951,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.468,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.309,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.39,"MP.Reference":"EPA-CCD-OPERA","MW":223.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13029-08-8"}
{"Compound":"Indium arsenide","CAS":"1303-11-3","CAS.Checksum":true,"DTXSID":"DTXSID5023825","Formula":"AsIn","All.Compound.Names":"Indium arsenide","MW":189.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1303-11-3"}
{"Compound":"4-acetylphenyl acetate","CAS":"13031-43-1","CAS.Checksum":true,"DTXSID":"DTXSID9044534","Formula":"C10H10O3","All.Compound.Names":"4-acetylphenyl acetate|Dtxsid9044534","logHenry":-6.33,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.291,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.442,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.902,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.12,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13031-43-1"}
{"Compound":"1,2,3,5-tetraacetyl-.-d-ribofuranose","CAS":"13035-61-5","CAS.Checksum":true,"DTXSID":"DTXSID9057632","Formula":"C13H18O9","All.Compound.Names":"1,2,3,5-tetraacetyl-.-d-ribofuranose|Dtxsid9057632","logHenry":-8.753,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8596,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.566,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.449,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.48,"MP.Reference":"EPA-CCD-OPERA","MW":318.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13035-61-5"}
{"Compound":"Bismuth oxide","CAS":"1304-76-3","CAS.Checksum":true,"DTXSID":"DTXSID8046537","Formula":"Bi2O3","All.Compound.Names":"Bismuth oxide|Bismuth oxide (bi2o3)","MW":466,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1304-76-3"}
{"Compound":"4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one","CAS":"13047-13-7","CAS.Checksum":true,"DTXSID":"DTXSID9044794","Formula":"C11H14N2O2","All.Compound.Names":"4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one|Dtxsid9044794|13047-13-7","logHenry":-8.684,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9418,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.144,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.601,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.3,"MP.Reference":"EPA-CCD-OPERA","MW":206.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13047-13-7"}
{"Compound":"1,6-hexanediol diacrylate","CAS":"13048-33-4","CAS.Checksum":true,"DTXSID":"DTXSID9025401","Formula":"C12H18O4","All.Compound.Names":"1,6-hexanediol diacrylate|Dtxsid9025401","logHenry":-6.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.169,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.503,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.638,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.66,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13048-33-4"}
{"Compound":"Cadmium oxide","CAS":"1306-19-0","CAS.Checksum":true,"DTXSID":"DTXSID0024715","Formula":"CdO","All.Compound.Names":"Cadmium oxide","MW":128.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1306-19-0"}
{"Compound":"Dorzolamide hydrochloride","CAS":"130693-82-2","CAS.Checksum":true,"DTXSID":"DTXSID1045530","Formula":"C10H17ClN2O4S3","All.Compound.Names":"Dorzolamide hydrochloride|Dtxsid1045530|130693-82-2","logHenry":-9.941,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.896,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.92,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.987,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.8,"MP.Reference":"EPA-CCD-OPERA","MW":360.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"130693-82-2"}
{"Compound":"Neticonazole","CAS":"130726-68-0","CAS.Checksum":true,"DTXSID":"DTXSID4057633","Formula":"C17H22N2OS","All.Compound.Names":"Neticonazole|Dtxsid4057633|130726-68-0","logHenry":-7.734,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.052,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.871,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.293,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.77,"MP.Reference":"EPA-CCD-OPERA","MW":302.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"130726-68-0"}
{"Compound":"Laureth 10s","CAS":"13081-34-0","CAS.Checksum":true,"DTXSID":"DTXSID2046042","Formula":"(C2H4O)nC14H30OS","All.Compound.Names":"Laureth 10s|Polyethylene glycol mono(dodecylthio) ether","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13081-34-0"}
{"Compound":"Deserpidine","CAS":"131-01-1","CAS.Checksum":true,"DTXSID":"DTXSID8020383","Formula":"C32H38N2O8","All.Compound.Names":"Deserpidine|Dtxsid8020383|131-01-1","logHenry":-7.474,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.996,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.572,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.769,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.5,"MP.Reference":"EPA-CCD-OPERA","MW":578.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"131-01-1"}
{"Compound":"Rauwolscine","CAS":"131-03-3","CAS.Checksum":true,"DTXSID":"DTXSID2045608","Formula":"C21H26N2O3","All.Compound.Names":"Rauwolscine|Dtxsid2045608|131-03-3","logHenry":-8.215,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.538,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.964,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.727,"logWSol.Reference":"EPA-CCD-OPERA","MP":250.7,"MP.Reference":"EPA-CCD-OPERA","MW":354.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"131-03-3"}
{"Compound":"Sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate","CAS":"131-08-8","CAS.Checksum":true,"DTXSID":"DTXSID4044535","Formula":"C14H7NaO5S","All.Compound.Names":"Sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate|Sodium 2-anthraquinonesulfonate|Dtxsid4044535|131-08-8","logHenry":-10.33,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.00126,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.01,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7344,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.7,"MP.Reference":"EPA-CCD-OPERA","MW":310.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"131-08-8"}
{"Compound":"2-chloroanthraquinone","CAS":"131-09-9","CAS.Checksum":true,"DTXSID":"DTXSID7049213","Formula":"C14H7ClO2","All.Compound.Names":"2-chloroanthraquinone|Dtxsid7049213","logHenry":-6.562,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.383,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.465,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.994,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.9,"MP.Reference":"EPA-CCD-OPERA","MW":242.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"131-09-9"}
{"Compound":"Aceneuramic acid","CAS":"131-48-6","CAS.Checksum":true,"DTXSID":"DTXSID0050425","Formula":"C11H19NO9","All.Compound.Names":"Aceneuramic acid|Dtxsid0050425|131-48-6","logHenry":-10.68,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.027,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.57,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.05843,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.8,"MP.Reference":"EPA-CCD-OPERA","MW":309.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.91","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"131-48-6"}
{"Compound":"Sodium pentachlorophenate","CAS":"131-52-2","CAS.Checksum":true,"DTXSID":"DTXSID4040264","Formula":"C6Cl5NaO","All.Compound.Names":"Sodium pentachlorophenate|Dtxsid4040264|131-52-2","logHenry":-7.609,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.678,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.782,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.818,"logWSol.Reference":"EPA-CCD-OPERA","MP":119.2,"MP.Reference":"EPA-CCD-OPERA","MW":288.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"131-52-2"}
{"Compound":"2,2'-dihydroxy-4-methoxybenzophenone","CAS":"131-53-3","CAS.Checksum":true,"DTXSID":"DTXSID3022403","Formula":"C14H12O4","All.Compound.Names":"2,2'-dihydroxy-4-methoxybenzophenone|Dtxsid3022403|131-53-3","logHenry":-8.858,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.802,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.602,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.941,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.38,"MP.Reference":"EPA-CCD-OPERA","MW":244.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"131-53-3"}
{"Compound":"2,2'-dihydroxy-4,4'-dimethoxybenzophenone","CAS":"131-54-4","CAS.Checksum":true,"DTXSID":"DTXSID6038875","Formula":"C15H14O5","All.Compound.Names":"2,2'-dihydroxy-4,4'-dimethoxybenzophenone|Dtxsid6038875|131-54-4","logHenry":-8.954,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.113,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.97,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.728,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.5,"MP.Reference":"EPA-CCD-OPERA","MW":274.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"131-54-4"}
{"Compound":"Phthalofyne","CAS":"131-67-9","CAS.Checksum":true,"DTXSID":"DTXSID9057634","Formula":"C14H14O4","All.Compound.Names":"Phthalofyne|Dtxsid9057634|131-67-9","logHenry":-8.458,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.329,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.563,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.985,"logWSol.Reference":"EPA-CCD-OPERA","MP":97,"MP.Reference":"EPA-CCD-OPERA","MW":246.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"131-67-9"}
{"Compound":"Dinex","CAS":"131-89-5","CAS.Checksum":true,"DTXSID":"DTXSID4024064","Formula":"C12H14N2O5","All.Compound.Names":"Dinex|Dtxsid4024064|131-89-5","logHenry":-7.627,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.119,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.456,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.249,"logWSol.Reference":"EPA-CCD-OPERA","MP":107,"MP.Reference":"EPA-CCD-OPERA","MW":266.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"131-89-5"}
{"Compound":"Halometasone hydrate","CAS":"1310709-74-0","CAS.Checksum":true,"DTXSID":"DTXSID2046460","Formula":"C22H29ClF2O6","All.Compound.Names":"Halometasone hydrate|Dtxsid2046460|1310709-74-0","logHenry":-10.95,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.526,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.796,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.719,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.4,"MP.Reference":"EPA-CCD-OPERA","MW":462.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.06","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1310709-74-0"}
{"Compound":"N'-methyl-n,n-diphenylurea","CAS":"13114-72-2","CAS.Checksum":true,"DTXSID":"DTXSID8025593","Formula":"C14H14N2O","All.Compound.Names":"N'-methyl-n,n-diphenylurea|Dtxsid8025593|13114-72-2","logHenry":-8.995,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.231,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.054,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.83,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.5,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13114-72-2"}
{"Compound":"Molybdenum trioxide","CAS":"1313-27-5","CAS.Checksum":true,"DTXSID":"DTXSID7020899","Formula":"MoO3","All.Compound.Names":"Molybdenum trioxide","MW":144,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1313-27-5"}
{"Compound":"Antimony(v) sulfide","CAS":"1315-04-4","CAS.Checksum":true,"DTXSID":"DTXSID8046583","Formula":"S5Sb2","All.Compound.Names":"Antimony(v) sulfide","MW":403.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1315-04-4"}
{"Compound":"Cis-n-[1-[2-(2-thienyl)ethyl]-3-methyl-4-piperidyl]-n-phenylpropanamide hydrochloride","CAS":"131690-45-4","CAS.Checksum":true,"DTXSID":"DTXSID9048936","Formula":"C21H29ClN2OS","All.Compound.Names":"Cis-n-[1-[2-(2-thienyl)ethyl]-3-methyl-4-piperidyl]-n-phenylpropanamide hydrochloride|(?)-cis-3-methyl thiofentanyl hydrochloride|Dtxsid9048936|131690-45-4","logHenry":-8.37,"logHenry.Reference":"OPERA29","logP":3.28,"logP.Reference":"OPERA29","logWSol":-5.03,"logWSol.Reference":"OPERA29","MP":111,"MP.Reference":"OPERA29","MW":393,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"131690-45-4"}
{"Compound":"1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1h-inden-4-yl)ethanone","CAS":"13171-00-1","CAS.Checksum":true,"DTXSID":"DTXSID9044536","Formula":"C17H24O","All.Compound.Names":"1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1h-inden-4-yl)ethanone|Celestolide|Dtxsid9044536","logHenry":-4.68,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.367,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.975,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.327,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.63,"MP.Reference":"EPA-CCD-OPERA","MW":244.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13171-00-1"}
{"Compound":"Phosphamidon","CAS":"13171-21-6","CAS.Checksum":true,"DTXSID":"DTXSID7021156","Formula":"C10H19ClNO5P","All.Compound.Names":"Phosphamidon|Dtxsid7021156|13171-21-6","logHenry":-8.911,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.79,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.991,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5195,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.93,"MP.Reference":"EPA-CCD-OPERA","MW":299.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13171-21-6"}
{"Compound":"Flavopiridol hydrochloride","CAS":"131740-09-5","CAS.Checksum":true,"DTXSID":"DTXSID6048961","Formula":"C21H21Cl2NO5","All.Compound.Names":"Flavopiridol hydrochloride|Dtxsid6048961|131740-09-5","logHenry":-10.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.03192,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.4,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.499,"logWSol.Reference":"EPA-CCD-OPERA","MP":225.5,"MP.Reference":"EPA-CCD-OPERA","MW":438.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"131740-09-5"}
{"Compound":"Bromofenoxim","CAS":"13181-17-4","CAS.Checksum":true,"DTXSID":"DTXSID1041681","Formula":"C13H7Br2N3O6","All.Compound.Names":"Bromofenoxim|Dtxsid1041681|13181-17-4","logHenry":-6.717,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.301,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.792,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.663,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.5,"MP.Reference":"EPA-CCD-OPERA","MW":461,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13181-17-4"}
{"Compound":"1-n-methyl-5-thiotetrazole","CAS":"13183-79-4","CAS.Checksum":true,"DTXSID":"DTXSID9051662","Formula":"C2H4N4S","All.Compound.Names":"1-n-methyl-5-thiotetrazole|1,2-dihydro-1-methyl-5h-tetrazole-5-thione|Dtxsid9051662|13183-79-4","logHenry":-8.298,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.0386,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.716,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9539,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.5,"MP.Reference":"EPA-CCD-OPERA","MW":116.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13183-79-4"}
{"Compound":"Pimethixene maleate","CAS":"13187-06-9","CAS.Checksum":true,"DTXSID":"DTXSID7045863","Formula":"C23H23NO4S","All.Compound.Names":"Pimethixene maleate|Dtxsid7045863|13187-06-9","logHenry":-5.619,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6759,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.754,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.168,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.8,"MP.Reference":"EPA-CCD-OPERA","MW":409.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13187-06-9"}
{"Compound":"Fudosteine","CAS":"13189-98-5","CAS.Checksum":true,"DTXSID":"DTXSID4046440","Formula":"C6H13NO3S","All.Compound.Names":"Fudosteine|Dtxsid4046440|13189-98-5","logHenry":-8.408,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.148,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.272,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4188,"logWSol.Reference":"EPA-CCD-OPERA","MP":244.5,"MP.Reference":"EPA-CCD-OPERA","MW":179.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13189-98-5"}
{"Compound":"Benztropine methylsulfonate","CAS":"132-17-2","CAS.Checksum":true,"DTXSID":"DTXSID0045096","Formula":"C22H29NO4S","All.Compound.Names":"Benztropine methylsulfonate|Dtxsid0045096|132-17-2","logHenry":-5.936,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3765,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.257,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.699,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.4,"MP.Reference":"EPA-CCD-OPERA","MW":403.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"132-17-2"}
{"Compound":"Diphenylpyraline hydrochloride","CAS":"132-18-3","CAS.Checksum":true,"DTXSID":"DTXSID7047772","Formula":"C19H24ClNO","All.Compound.Names":"Diphenylpyraline hydrochloride|Dtxsid7047772|132-18-3","logHenry":-5.254,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8831,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.543,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.066,"logWSol.Reference":"EPA-CCD-OPERA","MP":204,"MP.Reference":"EPA-CCD-OPERA","MW":317.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"132-18-3"}
{"Compound":"Pheniramine maleate","CAS":"132-20-7","CAS.Checksum":true,"DTXSID":"DTXSID0025866","Formula":"C20H24N2O4","All.Compound.Names":"Pheniramine maleate|Dtxsid0025866|132-20-7","logHenry":-5.241,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6761,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.497,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.979,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.8,"MP.Reference":"EPA-CCD-OPERA","MW":356.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"132-20-7"}
{"Compound":"3-amino-9-ethylcarbazole","CAS":"132-32-1","CAS.Checksum":true,"DTXSID":"DTXSID1030319","Formula":"C14H14N2","All.Compound.Names":"3-amino-9-ethylcarbazole|Dtxsid1030319|132-32-1","logHenry":-6.761,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.157,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.732,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.99,"logWSol.Reference":"EPA-CCD-OPERA","MP":99.12,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"132-32-1"}
{"Compound":"Proxazole citrate","CAS":"132-35-4","CAS.Checksum":true,"DTXSID":"DTXSID5048760","Formula":"C23H33N3O8","All.Compound.Names":"Proxazole citrate|Dtxsid5048760|132-35-4","logHenry":-6.028,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8374,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.75,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.855,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.5,"MP.Reference":"EPA-CCD-OPERA","MW":479.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"132-35-4"}
{"Compound":"Phenyl 1-hydroxy-2-naphthoate","CAS":"132-54-7","CAS.Checksum":true,"DTXSID":"DTXSID1038876","Formula":"C17H12O3","All.Compound.Names":"Phenyl 1-hydroxy-2-naphthoate|Dtxsid1038876|132-54-7","logHenry":-9.564,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.136,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.616,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.979,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.6,"MP.Reference":"EPA-CCD-OPERA","MW":264.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"132-54-7"}
{"Compound":"Cinchophen","CAS":"132-60-5","CAS.Checksum":true,"DTXSID":"DTXSID0040705","Formula":"C16H11NO2","All.Compound.Names":"Cinchophen|Dtxsid0040705|132-60-5","logHenry":-9.615,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.553,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.571,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.193,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.5,"MP.Reference":"EPA-CCD-OPERA","MW":249.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.03","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"132-60-5"}
{"Compound":"Dibenzothiophene","CAS":"132-65-0","CAS.Checksum":true,"DTXSID":"DTXSID0047741","Formula":"C12H8S","All.Compound.Names":"Dibenzothiophene|Dtxsid0047741","logHenry":-4.068,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.435,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.069,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.944,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.67,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"132-65-0"}
{"Compound":"Naptalam","CAS":"132-66-1","CAS.Checksum":true,"DTXSID":"DTXSID6032437","Formula":"C18H13NO3","All.Compound.Names":"Naptalam|Dtxsid6032437|132-66-1","logHenry":-9.572,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.074,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.351,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.166,"logWSol.Reference":"EPA-CCD-OPERA","MP":185,"MP.Reference":"EPA-CCD-OPERA","MW":291.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"132-66-1"}
{"Compound":"Benzydamine hydrochloride","CAS":"132-69-4","CAS.Checksum":true,"DTXSID":"DTXSID1045293","Formula":"C19H24ClN3O","All.Compound.Names":"Benzydamine hydrochloride|Dtxsid1045293|132-69-4","logHenry":-5.44,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7773,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.099,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.803,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.1,"MP.Reference":"EPA-CCD-OPERA","MW":345.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"132-69-4"}
{"Compound":"Phenethicillin potassium","CAS":"132-93-4","CAS.Checksum":true,"DTXSID":"DTXSID5045546","Formula":"C17H19KN2O5S","All.Compound.Names":"Phenethicillin potassium|Dtxsid5045546|132-93-4","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4148,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.927,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.607,"logWSol.Reference":"EPA-CCD-OPERA","MP":170,"MP.Reference":"EPA-CCD-OPERA","MW":402.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"132-93-4"}
{"Compound":"Penicillin vk","CAS":"132-98-9","CAS.Checksum":true,"DTXSID":"DTXSID7021102","Formula":"C16H17KN2O5S","All.Compound.Names":"Penicillin vk|Dtxsid7021102|132-98-9","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4074,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.901,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.62,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.8,"MP.Reference":"EPA-CCD-OPERA","MW":388.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"132-98-9"}
{"Compound":"C.i. acid orange 24, monosodium salt","CAS":"1320-07-6","CAS.Checksum":true,"DTXSID":"DTXSID7041708","Formula":"C20H17N4NaO5S","All.Compound.Names":"C.i. acid orange 24, monosodium salt","MW":448.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1320-07-6"}
{"Compound":"2,4-db-isooctyl ester","CAS":"1320-15-6","CAS.Checksum":true,"DTXSID":"DTXSID3047427","All.Compound.Names":"2,4-db-isooctyl ester","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1320-15-6"}
{"Compound":"Divinylbenzene","CAS":"1321-74-0","CAS.Checksum":true,"DTXSID":"DTXSID2025216","Formula":"C10H10","All.Compound.Names":"Divinylbenzene","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1321-74-0"}
{"Compound":"Calcium undecylenate","CAS":"1322-14-1","CAS.Checksum":true,"DTXSID":"DTXSID6057742","Formula":"C22H38CaO4","All.Compound.Names":"Calcium undecylenate|Dtxsid6057742|1322-14-1","logHenry":-6.925,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.552,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.846,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.654,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.3,"MP.Reference":"EPA-CCD-OPERA","MW":406.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1322-14-1"}
{"Compound":"1,3-nonanediol monoacetate","CAS":"1322-17-4","CAS.Checksum":true,"DTXSID":"DTXSID1047657","All.Compound.Names":"1,3-nonanediol monoacetate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1322-17-4"}
{"Compound":"Cilnidipine","CAS":"132203-70-4","CAS.Checksum":true,"DTXSID":"DTXSID0046309","Formula":"C27H28N2O7","All.Compound.Names":"Cilnidipine|Dtxsid0046309|132203-70-4","logHenry":-7.489,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.508,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.174,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.828,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.5,"MP.Reference":"EPA-CCD-OPERA","MW":492.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"132203-70-4"}
{"Compound":"Sodium 2,4,7-tri(propan-2-yl)naphthalene-1-sulfonate","CAS":"1323-19-9","CAS.Checksum":true,"DTXSID":"DTXSID4044537","All.Compound.Names":"Sodium 2,4,7-tri(propan-2-yl)naphthalene-1-sulfonate|Sodium triisopropyl naphthalene sulfonate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1323-19-9"}
{"Compound":"Glyceryl monoricinoleate","CAS":"1323-38-2","CAS.Checksum":true,"DTXSID":"DTXSID3042007","All.Compound.Names":"Glyceryl monoricinoleate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1323-38-2"}
{"Compound":"Octadecanoic acid, monoester with 1,2-propanediol","CAS":"1323-39-3","CAS.Checksum":true,"DTXSID":"DTXSID2027381","All.Compound.Names":"Octadecanoic acid, monoester with 1,2-propanediol|1,2-propylene glycol monostearate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1323-39-3"}
{"Compound":"N,n-dimethylcysteamine hydrochloride","CAS":"13242-44-9","CAS.Checksum":true,"DTXSID":"DTXSID7046596","Formula":"C4H12ClNS","All.Compound.Names":"N,n-dimethylcysteamine hydrochloride|Dtxsid7046596|13242-44-9","logHenry":-3.986,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.818,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.857,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1421,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.3,"MP.Reference":"EPA-CCD-OPERA","MW":141.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.01","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13242-44-9"}
{"Compound":"2,6-dimethyl-2-heptanol","CAS":"13254-34-7","CAS.Checksum":true,"DTXSID":"DTXSID6041424","Formula":"C9H20O","All.Compound.Names":"2,6-dimethyl-2-heptanol|Dtxsid6041424|13254-34-7","logHenry":-4.413,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.914,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.949,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.227,"logWSol.Reference":"EPA-CCD-OPERA","MP":-56.11,"MP.Reference":"EPA-CCD-OPERA","MW":144.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13254-34-7"}
{"Compound":"N-isopropyl-4-formylbenzamide","CAS":"13255-50-0","CAS.Checksum":true,"DTXSID":"DTXSID9057636","Formula":"C11H13NO2","All.Compound.Names":"N-isopropyl-4-formylbenzamide|Dtxsid9057636|13255-50-0","logHenry":-9.242,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.025,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.989,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8057,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.7,"MP.Reference":"EPA-CCD-OPERA","MW":191.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13255-50-0"}
{"Compound":"Arsenic trioxide","CAS":"1327-53-3","CAS.Checksum":true,"DTXSID":"DTXSID0020103","Formula":"As2O3","All.Compound.Names":"Arsenic trioxide|Arsenic oxide (as2o3)","MW":197.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1327-53-3"}
{"Compound":"Di(propylene glycol) tert-butyl ether","CAS":"132739-31-2","CAS.Checksum":true,"DTXSID":"DTXSID9042338","All.Compound.Names":"Di(propylene glycol) tert-butyl ether","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"132739-31-2"}
{"Compound":"Blonanserin","CAS":"132810-10-7","CAS.Checksum":true,"DTXSID":"DTXSID7048790","Formula":"C23H30FN3","All.Compound.Names":"Blonanserin|Dtxsid7048790|132810-10-7","logHenry":-5.383,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.706,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.986,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.713,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.5,"MP.Reference":"EPA-CCD-OPERA","MW":367.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"132810-10-7"}
{"Compound":"2-pentenenitrile","CAS":"13284-42-9","CAS.Checksum":true,"DTXSID":"DTXSID6025850","All.Compound.Names":"2-pentenenitrile","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13284-42-9"}
{"Compound":"Lercanidipine hydrochloride","CAS":"132866-11-6","CAS.Checksum":true,"DTXSID":"DTXSID3046665","Formula":"C36H42ClN3O6","All.Compound.Names":"Lercanidipine hydrochloride|Dtxsid3046665|132866-11-6","logHenry":-7.423,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.416,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.765,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.8,"MP.Reference":"EPA-CCD-OPERA","MW":648.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"132866-11-6"}
{"Compound":"Ramosetron hydrochloride","CAS":"132907-72-3","CAS.Checksum":true,"DTXSID":"DTXSID3021223","Formula":"C17H18ClN3O","All.Compound.Names":"Ramosetron hydrochloride|Dtxsid3021223|132907-72-3","logHenry":-8.918,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6434,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.16,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.309,"logWSol.Reference":"EPA-CCD-OPERA","MP":120,"MP.Reference":"EPA-CCD-OPERA","MW":315.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"132907-72-3"}
{"Compound":"Captan","CAS":"133-06-2","CAS.Checksum":true,"DTXSID":"DTXSID9020243","Formula":"C9H8Cl3NO2S","All.Compound.Names":"Captan|Dtxsid9020243|133-06-2","logHenry":-5.431,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.799,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.036,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.763,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.9,"MP.Reference":"EPA-CCD-OPERA","MW":300.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"133-06-2"}
{"Compound":"Sodium 4-aminosalicylate","CAS":"133-10-8","CAS.Checksum":true,"DTXSID":"DTXSID0046066","Formula":"C7H6NNaO3","All.Compound.Names":"Sodium 4-aminosalicylate|Dtxsid0046066|133-10-8","logHenry":-9.372,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.589,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.965,"logWSol.Reference":"EPA-CCD-OPERA","MP":243.8,"MP.Reference":"EPA-CCD-OPERA","MW":175.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"133-10-8"}
{"Compound":"Phenyl 4-aminosalicylate","CAS":"133-11-9","CAS.Checksum":true,"DTXSID":"DTXSID7021994","Formula":"C13H11NO3","All.Compound.Names":"Phenyl 4-aminosalicylate|Dtxsid7021994|133-11-9","logHenry":-9.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.152,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.224,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.511,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.1,"MP.Reference":"EPA-CCD-OPERA","MW":229.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"133-11-9"}
{"Compound":"Phenethyl anthranilate","CAS":"133-18-6","CAS.Checksum":true,"DTXSID":"DTXSID5025861","Formula":"C15H15NO2","All.Compound.Names":"Phenethyl anthranilate|Dtxsid5025861|133-18-6","logHenry":-9.573,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.257,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.188,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.287,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.8,"MP.Reference":"EPA-CCD-OPERA","MW":241.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"133-18-6"}
{"Compound":"Indole-3-butyric acid","CAS":"133-32-4","CAS.Checksum":true,"DTXSID":"DTXSID8032623","Formula":"C12H13NO2","All.Compound.Names":"Indole-3-butyric acid|Dtxsid8032623|133-32-4","logHenry":-9.196,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.302,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.808,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.024,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.6,"MP.Reference":"EPA-CCD-OPERA","MW":203.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"52.5,23.3,118","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"133-32-4"}
{"Compound":"Dl-tartaric acid","CAS":"133-37-9","CAS.Checksum":true,"DTXSID":"DTXSID5046986","Formula":"C4H6O6","All.Compound.Names":"Dl-tartaric acid|Dtxsid5046986|133-37-9","logHenry":-12.38,"logHenry.Reference":"OPERA29","logP":-1.06,"logP.Reference":"OPERA29","logWSol":0.47,"logWSol.Reference":"OPERA29","MP":174,"MP.Reference":"OPERA29","MW":150.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"133-37-9"}
{"Compound":"2,4-dichloro-3,5-dimethylphenol","CAS":"133-53-9","CAS.Checksum":true,"DTXSID":"DTXSID0041359","Formula":"C8H8Cl2O","All.Compound.Names":"2,4-dichloro-3,5-dimethylphenol|Dtxsid0041359|133-53-9","logHenry":-6.007,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.467,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.247,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.983,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.8,"MP.Reference":"EPA-CCD-OPERA","MW":191,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"133-53-9"}
{"Compound":"Nitromersol","CAS":"133-58-4","CAS.Checksum":true,"DTXSID":"DTXSID9057638","Formula":"C7H5HgNO3","All.Compound.Names":"Nitromersol","MW":351.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"133-58-4"}
{"Compound":"Trichlormethiazide","CAS":"133-67-5","CAS.Checksum":true,"DTXSID":"DTXSID7023699","Formula":"C8H8Cl3N3O4S2","All.Compound.Names":"Trichlormethiazide|133-67-5|Dtxsid7023699","logHenry":-9.567,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.62,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.603,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.68,"logWSol.Reference":"EPA-CCD-OPERA","MP":244.3,"MP.Reference":"EPA-CCD-OPERA","MW":380.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.6,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"133-67-5"}
{"Compound":"Xylenes","CAS":"1330-20-7","CAS.Checksum":true,"DTXSID":"DTXSID2021446","Formula":"C8H10","All.Compound.Names":"Xylenes","MW":106.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1330-20-7"}
{"Compound":"Isodecyl acrylate","CAS":"1330-61-6","CAS.Checksum":true,"DTXSID":"DTXSID7027386","All.Compound.Names":"Isodecyl acrylate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1330-61-6"}
{"Compound":"Tricresyl phosphate","CAS":"1330-78-5","CAS.Checksum":true,"DTXSID":"DTXSID4021391","Formula":"C21H21O4P","All.Compound.Names":"Tricresyl phosphate|Tris(methylphenyl) phosphate","MW":368.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1330-78-5"}
{"Compound":"Diisooctyl adipate","CAS":"1330-86-5","CAS.Checksum":true,"DTXSID":"DTXSID7027388","All.Compound.Names":"Diisooctyl adipate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1330-86-5"}
{"Compound":"(+)-metazocine fumarate (2:1)","CAS":"133005-40-0","CAS.Checksum":true,"DTXSID":"DTXSID1048910","Formula":"C34H46N2O6","All.Compound.Names":"(+)-metazocine fumarate (2:1)|Dtxsid1048910|133005-40-0","logHenry":-6.547,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6682,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.757,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.58,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.1,"MP.Reference":"EPA-CCD-OPERA","MW":578.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"133005-40-0"}
{"Compound":"Darifenacin hydrobromide","CAS":"133099-07-7","CAS.Checksum":true,"DTXSID":"DTXSID9046780","Formula":"C28H31BrN2O2","All.Compound.Names":"Darifenacin hydrobromide|Dtxsid9046780|133099-07-7","logHenry":-7.439,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1458,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.36,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.683,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.1,"MP.Reference":"EPA-CCD-OPERA","MW":507.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"133099-07-7"}
{"Compound":"Benzenemethanol, ar-methoxy-","CAS":"1331-81-3","CAS.Checksum":true,"DTXSID":"DTXSID2047486","All.Compound.Names":"Benzenemethanol, ar-methoxy-|Methoxybenzyl alcohol","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1331-81-3"}
{"Compound":"Benzenemethanol, ar-methoxy-, acetate","CAS":"1331-83-5","CAS.Checksum":true,"DTXSID":"DTXSID8047470","Formula":"C10H12O3","All.Compound.Names":"Benzenemethanol, ar-methoxy-, acetate|Methoxybenzyl acetate","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1331-83-5"}
{"Compound":"1-butyl-2-methylpyridinium iodide","CAS":"13311-31-4","CAS.Checksum":true,"DTXSID":"DTXSID2049214","Formula":"C10H16IN","All.Compound.Names":"1-butyl-2-methylpyridinium iodide|Dtxsid2049214|13311-31-4","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.277,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.77,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":165,"MP.Reference":"EPA-CCD-OPERA","MW":277.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13311-31-4"}
{"Compound":"Boron trifluoride dihydrate","CAS":"13319-75-0","CAS.Checksum":true,"DTXSID":"DTXSID9033264","Formula":"BF3H4O2","All.Compound.Names":"Boron trifluoride dihydrate","MW":103.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13319-75-0"}
{"Compound":"Phenolsulfonic acid","CAS":"1333-39-7","CAS.Checksum":true,"DTXSID":"DTXSID1027390","Formula":"C6H6O4S","All.Compound.Names":"Phenolsulfonic acid","logHenry":-0.15,"logHenry.Reference":"OPERA29","logP":1.09,"logP.Reference":"OPERA29","logWSol":-2.2,"logWSol.Reference":"OPERA29","MP":-182,"MP.Reference":"OPERA29","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1333-39-7"}
{"Compound":"Eprinomectin b1a","CAS":"133305-88-1","CAS.Checksum":true,"DTXSID":"DTXSID0048977","Formula":"C50H75NO14","All.Compound.Names":"Eprinomectin b1a|Dtxsid0048977|133305-88-1","logHenry":-9.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.636,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.002,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.658,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.2,"MP.Reference":"EPA-CCD-OPERA","MW":914.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"133305-88-1"}
{"Compound":"(acryloyloxy)(tributyl)stannane","CAS":"13331-52-7","CAS.Checksum":true,"DTXSID":"DTXSID9044796","Formula":"C15H30O2Sn","All.Compound.Names":"(acryloyloxy)(tributyl)stannane","MW":361.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13331-52-7"}
{"Compound":"3,4,5-trimethoxyphenylacetonitrile","CAS":"13338-63-1","CAS.Checksum":true,"DTXSID":"DTXSID4057637","Formula":"C11H13NO3","All.Compound.Names":"3,4,5-trimethoxyphenylacetonitrile|Dtxsid4057637","logHenry":-6.448,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.168,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.739,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.033,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.5,"MP.Reference":"EPA-CCD-OPERA","MW":207.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13338-63-1"}
{"Compound":"Iloperidone","CAS":"133454-47-4","CAS.Checksum":true,"DTXSID":"DTXSID6049060","Formula":"C24H27FN2O4","All.Compound.Names":"Iloperidone|Dtxsid6049060|133454-47-4","logHenry":-7.373,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.384,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.302,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.093,"logWSol.Reference":"EPA-CCD-OPERA","MP":114,"MP.Reference":"EPA-CCD-OPERA","MW":426.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"133454-47-4"}
{"Compound":"4-chloro-2-cyclopentylphenol","CAS":"13347-42-7","CAS.Checksum":true,"DTXSID":"DTXSID1041506","Formula":"C11H13ClO","All.Compound.Names":"4-chloro-2-cyclopentylphenol|Dtxsid1041506|13347-42-7","logHenry":-6.708,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.826,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.387,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.279,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.03,"MP.Reference":"EPA-CCD-OPERA","MW":196.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13347-42-7"}
{"Compound":"Ionone, methyl-","CAS":"1335-46-2","CAS.Checksum":true,"DTXSID":"DTXSID0029214","All.Compound.Names":"Ionone, methyl-|Methylionone","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1335-46-2"}
{"Compound":"Isocyclocitral","CAS":"1335-66-6","CAS.Checksum":true,"DTXSID":"DTXSID8044541","All.Compound.Names":"Isocyclocitral","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1335-66-6"}
{"Compound":"Chlorbromuron","CAS":"13360-45-7","CAS.Checksum":true,"DTXSID":"DTXSID6040290","Formula":"C9H10BrClN2O2","All.Compound.Names":"Chlorbromuron|Dtxsid6040290|13360-45-7","logHenry":-9.454,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.09,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.222,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.92,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.02,"MP.Reference":"EPA-CCD-OPERA","MW":293.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13360-45-7"}
{"Compound":"N-ethyl-n-butylamine","CAS":"13360-63-9","CAS.Checksum":true,"DTXSID":"DTXSID6025276","Formula":"C6H15N","All.Compound.Names":"N-ethyl-n-butylamine|Dtxsid6025276|13360-63-9","logHenry":-4.473,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.667,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.953,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4364,"logWSol.Reference":"EPA-CCD-OPERA","MP":-77.82,"MP.Reference":"EPA-CCD-OPERA","MW":101.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13360-63-9"}
{"Compound":"Sodium bis(2-methylpropyl)phosphinodithioate","CAS":"13360-78-6","CAS.Checksum":true,"DTXSID":"DTXSID9044798","Formula":"C8H18NaPS2","All.Compound.Names":"Sodium bis(2-methylpropyl)phosphinodithioate|Sodium diisobutyldithiophosphinate|Dtxsid9044798|13360-78-6","logHenry":-3.629,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.421,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.483,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.755,"logWSol.Reference":"EPA-CCD-OPERA","MP":119.7,"MP.Reference":"EPA-CCD-OPERA","MW":232.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13360-78-6"}
{"Compound":"2-ethylhexyl cyanoacetate","CAS":"13361-34-7","CAS.Checksum":true,"DTXSID":"DTXSID9044378","Formula":"C11H19NO2","All.Compound.Names":"2-ethylhexyl cyanoacetate|Dtxsid9044378","logHenry":-6.944,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.433,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.661,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.587,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.46,"MP.Reference":"EPA-CCD-OPERA","MW":197.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13361-34-7"}
{"Compound":"Citral oxime","CAS":"13372-77-5","CAS.Checksum":true,"DTXSID":"DTXSID3044542","Formula":"C10H17NO","All.Compound.Names":"Citral oxime|Dtxsid3044542|13372-77-5","logHenry":-8.72,"logHenry.Reference":"OPERA29","logP":2.99,"logP.Reference":"OPERA29","logWSol":-2.74,"logWSol.Reference":"OPERA29","MP":6,"MP.Reference":"OPERA29","MW":167.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13372-77-5"}
{"Compound":"Naphthenic acids","CAS":"1338-24-5","CAS.Checksum":true,"DTXSID":"DTXSID1027394","All.Compound.Names":"Naphthenic acids","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1338-24-5"}
{"Compound":"Sorbitan, monododecanoate","CAS":"1338-39-2","CAS.Checksum":true,"DTXSID":"DTXSID6027395","All.Compound.Names":"Sorbitan, monododecanoate|Sorbitan monododecanoate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1338-39-2"}
{"Compound":"Sorbitan, monooctadecanoate","CAS":"1338-41-6","CAS.Checksum":true,"DTXSID":"DTXSID1027396","All.Compound.Names":"Sorbitan, monooctadecanoate|Anhydrosorbitol stearate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1338-41-6"}
{"Compound":"Sorbitan, mono-(9z)-9-octadecenoate","CAS":"1338-43-8","CAS.Checksum":true,"DTXSID":"DTXSID6027397","Formula":"C24H44O6","All.Compound.Names":"Sorbitan, mono-(9z)-9-octadecenoate|Dtxsid6027397|1338-43-8","logHenry":-7.947,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.763,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.593,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.223,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.98,"MP.Reference":"EPA-CCD-OPERA","MW":428.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1338-43-8"}
{"Compound":"Corodane","CAS":"13380-94-4","CAS.Checksum":true,"DTXSID":"DTXSID9047463","Formula":"C10H14O","All.Compound.Names":"Corodane|Tricyclo(5.2.1.02,6)decane-8-one|Dtxsid9047463","logHenry":-4.164,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.496,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.766,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.911,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.29,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13380-94-4"}
{"Compound":"Mivacurium","CAS":"133814-19-4","CAS.Checksum":true,"DTXSID":"DTXSID6048333","Formula":"C58H80N2O14","All.Compound.Names":"Mivacurium|133814-19-4|Dtxsid6048333","logHenry":-7.949,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.446,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.226,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.976,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.3,"MP.Reference":"EPA-CCD-OPERA","MW":1029,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"133814-19-4"}
{"Compound":"Sodium l-ascorbate","CAS":"134-03-2","CAS.Checksum":true,"DTXSID":"DTXSID0020105","Formula":"C6H7NaO6","All.Compound.Names":"Sodium l-ascorbate|Dtxsid0020105|134-03-2","logHenry":-9.073,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.164,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3165,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.7,"MP.Reference":"EPA-CCD-OPERA","MW":198.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"134-03-2"}
{"Compound":"Menthyl anthranilate","CAS":"134-09-8","CAS.Checksum":true,"DTXSID":"DTXSID3047895","Formula":"C17H25NO2","All.Compound.Names":"Menthyl anthranilate|Dtxsid3047895|134-09-8","logHenry":-9.368,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.685,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.933,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.098,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.67,"MP.Reference":"EPA-CCD-OPERA","MW":275.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"134-09-8"}
{"Compound":"2-methoxyaniline hydrochloride","CAS":"134-29-2","CAS.Checksum":true,"DTXSID":"DTXSID8020092","Formula":"C7H10ClNO","All.Compound.Names":"2-methoxyaniline hydrochloride|Dtxsid8020092|134-29-2","logHenry":-6.725,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.104,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.258,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9881,"logWSol.Reference":"EPA-CCD-OPERA","MP":229.8,"MP.Reference":"EPA-CCD-OPERA","MW":159.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"134-29-2"}
{"Compound":"8-hydroxyquinoline citrate","CAS":"134-30-5","CAS.Checksum":true,"DTXSID":"DTXSID1040326","Formula":"C15H15NO8","All.Compound.Names":"8-hydroxyquinoline citrate|134-30-5","logHenry":-5.86,"logHenry.Reference":"OPERA29","logP":2.02,"logP.Reference":"OPERA29","logWSol":-2.4,"logWSol.Reference":"OPERA29","MP":77,"MP.Reference":"OPERA29","MW":337.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.88","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"134-30-5"}
{"Compound":"8-hydroxyquinoline sulfate","CAS":"134-31-6","CAS.Checksum":true,"DTXSID":"DTXSID6025436","Formula":"C18H16N2O6S","All.Compound.Names":"8-hydroxyquinoline sulfate|Dtxsid6025436|134-31-6","logHenry":-8.31,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5356,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.649,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.437,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.1,"MP.Reference":"EPA-CCD-OPERA","MW":388.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.88","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"134-31-6"}
{"Compound":"1-naphthylamine","CAS":"134-32-7","CAS.Checksum":true,"DTXSID":"DTXSID7020920","Formula":"C10H9N","All.Compound.Names":"1-naphthylamine|Dtxsid7020920|134-32-7","logHenry":-6.954,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.251,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.933,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.63,"MP.Reference":"EPA-CCD-OPERA","MW":143.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"134-32-7"}
{"Compound":"Erythromycin propionate","CAS":"134-36-1","CAS.Checksum":true,"DTXSID":"DTXSID9022994","Formula":"C40H71NO14","All.Compound.Names":"Erythromycin propionate|Dtxsid9022994|134-36-1","logHenry":-9.995,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.955,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.578,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.254,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.4,"MP.Reference":"EPA-CCD-OPERA","MW":790,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"134-36-1"}
{"Compound":"Diethylpropion hydrochloride","CAS":"134-80-5","CAS.Checksum":true,"DTXSID":"DTXSID4047838","Formula":"C13H20ClNO","All.Compound.Names":"Diethylpropion hydrochloride|Dtxsid4047838|134-80-5","logHenry":-6.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5353,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.413,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.895,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.5,"MP.Reference":"EPA-CCD-OPERA","MW":241.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"134-80-5"}
{"Compound":"1,2-diphenylethanedione","CAS":"134-81-6","CAS.Checksum":true,"DTXSID":"DTXSID3044380","Formula":"C14H10O2","All.Compound.Names":"1,2-diphenylethanedione|Dtxsid3044380","logHenry":-6.543,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.379,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.034,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.113,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.03,"MP.Reference":"EPA-CCD-OPERA","MW":210.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"134-81-6"}
{"Compound":"4-chlorobenzophenone","CAS":"134-85-0","CAS.Checksum":true,"DTXSID":"DTXSID2051687","Formula":"C13H9ClO","All.Compound.Names":"4-chlorobenzophenone|Dtxsid2051687","logHenry":-5.916,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.356,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.026,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.794,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.43,"MP.Reference":"EPA-CCD-OPERA","MW":216.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"134-85-0"}
{"Compound":"Cp-085958","CAS":"134002-60-1","CAS.Checksum":true,"DTXSID":"DTXSID5047297","Formula":"C25H20FNO5S","All.Compound.Names":"Cp-085958|Dtxsid5047297|134002-60-1","logHenry":-7.672,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.585,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.071,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.043,"logWSol.Reference":"EPA-CCD-OPERA","MP":250.4,"MP.Reference":"EPA-CCD-OPERA","MW":465.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"134002-60-1"}
{"Compound":"Acetylpheneturide","CAS":"13402-08-9","CAS.Checksum":true,"DTXSID":"DTXSID8048789","Formula":"C13H16N2O3","All.Compound.Names":"Acetylpheneturide|Dtxsid8048789|13402-08-9","logHenry":-9.492,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.296,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.021,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.101,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.6,"MP.Reference":"EPA-CCD-OPERA","MW":248.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13402-08-9"}
{"Compound":"Aconiazide","CAS":"13410-86-1","CAS.Checksum":true,"DTXSID":"DTXSID8046292","Formula":"C15H13N3O4","All.Compound.Names":"Aconiazide|Dtxsid8046292|13410-86-1","logHenry":-9.341,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.945,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.38,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.968,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.7,"MP.Reference":"EPA-CCD-OPERA","MW":299.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13410-86-1"}
{"Compound":"Dicloxacillin sodium salt monohydrate","CAS":"13412-64-1","CAS.Checksum":true,"DTXSID":"DTXSID2049002","Formula":"C19H18Cl2N3NaO6S","All.Compound.Names":"Dicloxacillin sodium salt monohydrate|Dtxsid2049002|13412-64-1","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.666,"logP.Reference":"EPA-CCD-OPERA","logPwa":7,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.187,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.2,"MP.Reference":"EPA-CCD-OPERA","MW":510.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13412-64-1"}
{"Compound":"Mecobalamin","CAS":"13422-55-4","CAS.Checksum":true,"DTXSID":"DTXSID5048631","Formula":"C63H91CoN13O14P","All.Compound.Names":"Mecobalamin","MW":1344,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13422-55-4"}
{"Compound":"N-methylbenzylamine hydrochloride","CAS":"13426-94-3","CAS.Checksum":true,"DTXSID":"DTXSID1046007","Formula":"C8H12ClN","All.Compound.Names":"N-methylbenzylamine hydrochloride|Dtxsid1046007|13426-94-3","logHenry":-5.174,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.17,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.045,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9032,"logWSol.Reference":"EPA-CCD-OPERA","MP":206,"MP.Reference":"EPA-CCD-OPERA","MW":157.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13426-94-3"}
{"Compound":"Cochineal","CAS":"1343-78-8","CAS.Checksum":true,"DTXSID":"DTXSID2045735","All.Compound.Names":"Cochineal","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1343-78-8"}
{"Compound":"Furfenorex","CAS":"13445-60-8","CAS.Checksum":true,"DTXSID":"DTXSID3057727","All.Compound.Names":"Furfenorex|Dl-furfenorex","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13445-60-8"}
{"Compound":"Nitric acid, magnesium salt","CAS":"13446-18-9","CAS.Checksum":true,"DTXSID":"DTXSID2047484","Formula":"H12MgN2O12","All.Compound.Names":"Nitric acid, magnesium salt|Magnesium dinitrate hexahydrate","MW":256.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13446-18-9"}
{"Compound":"Atorvastatin calcium","CAS":"134523-03-8","CAS.Checksum":true,"DTXSID":"DTXSID6044303","Formula":"C66H68CaF2N4O10","All.Compound.Names":"Atorvastatin calcium|Dtxsid6044303|134523-03-8","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.742,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.775,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.172,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.7,"MP.Reference":"EPA-CCD-OPERA","MW":1155,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"134523-03-8"}
{"Compound":"Gold trichloride","CAS":"13453-07-1","CAS.Checksum":true,"DTXSID":"DTXSID4044379","Formula":"AuCl3","All.Compound.Names":"Gold trichloride","MW":303.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13453-07-1"}
{"Compound":"Pyrazophos","CAS":"13457-18-6","CAS.Checksum":true,"DTXSID":"DTXSID7042352","Formula":"C14H20N3O5PS","All.Compound.Names":"Pyrazophos|Dtxsid7042352|13457-18-6","logHenry":-8.112,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.798,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.911,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.948,"logWSol.Reference":"EPA-CCD-OPERA","MP":50.94,"MP.Reference":"EPA-CCD-OPERA","MW":373.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.11","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13457-18-6"}
{"Compound":"Butafenacil","CAS":"134605-64-4","CAS.Checksum":true,"DTXSID":"DTXSID9034365","Formula":"C20H18ClF3N2O6","All.Compound.Names":"Butafenacil|Dtxsid9034365|134605-64-4","logHenry":-7.716,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.147,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.538,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.678,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.82,"MP.Reference":"EPA-CCD-OPERA","MW":474.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"134605-64-4"}
{"Compound":"Zinc pyrithione","CAS":"13463-41-7","CAS.Checksum":true,"DTXSID":"DTXSID7026314","Formula":"C10H8N2O2S2Zn","All.Compound.Names":"Zinc pyrithione","MW":317.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13463-41-7"}
{"Compound":"Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-","CAS":"13466-78-9","CAS.Checksum":true,"DTXSID":"DTXSID4047462","Formula":"C10H16","All.Compound.Names":"Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-|3-carene|Dtxsid4047462","logHenry":-1.193,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.381,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.06306,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.668,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.75,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13466-78-9"}
{"Compound":"2,2'-azobis(2-methylbutanenitrile)","CAS":"13472-08-7","CAS.Checksum":true,"DTXSID":"DTXSID8027747","Formula":"C10H16N4","All.Compound.Names":"2,2'-azobis(2-methylbutanenitrile)|Dtxsid8027747|13472-08-7","logHenry":-6.252,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.61,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.4,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.699,"logWSol.Reference":"EPA-CCD-OPERA","MP":50.13,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13472-08-7"}
{"Compound":"D&c red 27","CAS":"13473-26-2","CAS.Checksum":true,"DTXSID":"DTXSID2031089","Formula":"C20H4Br4Cl4O5","All.Compound.Names":"D&c red 27","logHenry":-4.012,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.97,"logP.Reference":"OPERA29","logWSol":-4.69,"logWSol.Reference":"OPERA29","MP":227,"MP.Reference":"EPA-CCD-OPERA","MW":785.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13473-26-2"}
{"Compound":"Methyl 3-nonenoate","CAS":"13481-87-3","CAS.Checksum":true,"DTXSID":"DTXSID1047659","Formula":"C10H18O2","All.Compound.Names":"Methyl 3-nonenoate|Dtxsid1047659","logHenry":-3.592,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.564,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.495,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.277,"logWSol.Reference":"EPA-CCD-OPERA","MP":-54,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13481-87-3"}
{"Compound":"Meluadrine","CAS":"134865-33-1","CAS.Checksum":true,"DTXSID":"DTXSID8048810","Formula":"C12H18ClNO2","All.Compound.Names":"Meluadrine|Dtxsid8048810|134865-33-1","logHenry":-9.487,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.302,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.024,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.264,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.9,"MP.Reference":"EPA-CCD-OPERA","MW":243.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.63","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"134865-33-1"}
{"Compound":"2-tert-butylcyclohexanol","CAS":"13491-79-7","CAS.Checksum":true,"DTXSID":"DTXSID4044799","Formula":"C10H20O","All.Compound.Names":"2-tert-butylcyclohexanol|Dtxsid4044799|13491-79-7","logHenry":-4.657,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.51,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.701,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.66,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13491-79-7"}
{"Compound":"3,5-dimethyl-1,2-cyclopentanedione","CAS":"13494-07-0","CAS.Checksum":true,"DTXSID":"DTXSID0047660","Formula":"C7H10O2","All.Compound.Names":"3,5-dimethyl-1,2-cyclopentanedione|Dtxsid0047660","logHenry":-5.827,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5729,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.99,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2854,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.99,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13494-07-0"}
{"Compound":"2-methoxybenzaldehyde","CAS":"135-02-4","CAS.Checksum":true,"DTXSID":"DTXSID1051690","Formula":"C8H8O2","All.Compound.Names":"2-methoxybenzaldehyde|Dtxsid1051690","logHenry":-6.648,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.721,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.868,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.545,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.27,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"135-02-4"}
{"Compound":"Methyclothiazide","CAS":"135-07-9","CAS.Checksum":true,"DTXSID":"DTXSID6023313","Formula":"C9H11Cl2N3O4S2","All.Compound.Names":"Methyclothiazide|Dtxsid6023313|135-07-9","logHenry":-9.724,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.418,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.681,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.774,"logWSol.Reference":"EPA-CCD-OPERA","MP":225,"MP.Reference":"EPA-CCD-OPERA","MW":360.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"135-07-9"}
{"Compound":"Cupferron","CAS":"135-20-6","CAS.Checksum":true,"DTXSID":"DTXSID1020352","Formula":"C6H9N3O2","All.Compound.Names":"Cupferron|Dtxsid1020352|135-20-6","logHenry":-7.245,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9832,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.947,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.328,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.5,"MP.Reference":"EPA-CCD-OPERA","MW":155.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"135-20-6"}
{"Compound":"Methapyrilene hydrochloride","CAS":"135-23-9","CAS.Checksum":true,"DTXSID":"DTXSID0020818","Formula":"C14H20ClN3S","All.Compound.Names":"Methapyrilene hydrochloride|Dtxsid0020818|135-23-9","logHenry":-5.606,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.03474,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.679,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.643,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.8,"MP.Reference":"EPA-CCD-OPERA","MW":297.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"135-23-9"}
{"Compound":"Disodium 3-hydroxynaphthalene-2,7-disulfonate","CAS":"135-51-3","CAS.Checksum":true,"DTXSID":"DTXSID8044543","Formula":"C10H6Na2O7S2","All.Compound.Names":"Disodium 3-hydroxynaphthalene-2,7-disulfonate|Dtxsid8044543|135-51-3","logHenry":-8.422,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7748,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.02,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7609,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.8,"MP.Reference":"EPA-CCD-OPERA","MW":348.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"135-51-3"}
{"Compound":"Benzamide, n,n'-(dithiodi-2,1-phenylene)bis-","CAS":"135-57-9","CAS.Checksum":true,"DTXSID":"DTXSID7041629","Formula":"C26H20N2O2S2","All.Compound.Names":"Benzamide, n,n'-(dithiodi-2,1-phenylene)bis-|2,2'-dibenzoylaminodiphenyl disulfide|Dtxsid7041629|135-57-9","logHenry":-9.009,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.665,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.053,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.207,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.3,"MP.Reference":"EPA-CCD-OPERA","MW":456.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"135-57-9"}
{"Compound":"2-naphthalenecarboxamide, 3-hydroxy-n-(2-methoxyphenyl)-","CAS":"135-62-6","CAS.Checksum":true,"DTXSID":"DTXSID6038877","Formula":"C18H15NO3","All.Compound.Names":"2-naphthalenecarboxamide, 3-hydroxy-n-(2-methoxyphenyl)-|3-hydroxy-2-naphthoic o-anisidide|Dtxsid6038877|135-62-6","logHenry":-9.887,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.971,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.427,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.831,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.2,"MP.Reference":"EPA-CCD-OPERA","MW":293.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"135-62-6"}
{"Compound":"3-hydroxy-n-(3-nitrophenyl)naphthalene-2-carboxamide","CAS":"135-65-9","CAS.Checksum":true,"DTXSID":"DTXSID3044544","Formula":"C17H12N2O4","All.Compound.Names":"3-hydroxy-n-(3-nitrophenyl)naphthalene-2-carboxamide|Dtxsid3044544","logHenry":-9.393,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.556,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.862,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.6,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.8,"MP.Reference":"EPA-CCD-OPERA","MW":308.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"135-65-9"}
{"Compound":"Sodium 6-hydroxynaphthalene-2-sulfonate","CAS":"135-76-2","CAS.Checksum":true,"DTXSID":"DTXSID7029166","Formula":"C10H7NaO4S","All.Compound.Names":"Sodium 6-hydroxynaphthalene-2-sulfonate|Dtxsid7029166|135-76-2","logHenry":-8.559,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.666,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.02,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.49,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.9,"MP.Reference":"EPA-CCD-OPERA","MW":246.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"135-76-2"}
{"Compound":"1,2,4-trimethoxybenzene","CAS":"135-77-3","CAS.Checksum":true,"DTXSID":"DTXSID5035163","Formula":"C9H12O3","All.Compound.Names":"1,2,4-trimethoxybenzene|Dtxsid5035163","logHenry":-6.006,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.958,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.1,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.867,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.37,"MP.Reference":"EPA-CCD-OPERA","MW":168.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"135-77-3"}
{"Compound":"6-(1-methylethyl)quinoline","CAS":"135-79-5","CAS.Checksum":true,"DTXSID":"DTXSID9047465","Formula":"C12H13N","All.Compound.Names":"6-(1-methylethyl)quinoline|Dtxsid9047465|135-79-5","logHenry":-3.956,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.418,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.247,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.058,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.62,"MP.Reference":"EPA-CCD-OPERA","MW":171.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"135-79-5"}
{"Compound":"N-phenyl-2-naphthylamine","CAS":"135-88-6","CAS.Checksum":true,"DTXSID":"DTXSID4021131","Formula":"C16H13N","All.Compound.Names":"N-phenyl-2-naphthylamine|Dtxsid4021131|135-88-6","logHenry":-6.641,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.378,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.66,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.073,"logWSol.Reference":"EPA-CCD-OPERA","MP":108,"MP.Reference":"EPA-CCD-OPERA","MW":219.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"135-88-6"}
{"Compound":"Sec-butylbenzene","CAS":"135-98-8","CAS.Checksum":true,"DTXSID":"DTXSID2022333","Formula":"C10H14","All.Compound.Names":"Sec-butylbenzene|Dtxsid2022333","logHenry":-2.095,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.568,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2556,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.887,"logWSol.Reference":"EPA-CCD-OPERA","MP":-82.23,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"135-98-8"}
{"Compound":"Clopidogrel hydrogen sulfate","CAS":"135046-48-9","CAS.Checksum":true,"DTXSID":"DTXSID4046024","Formula":"C16H18ClNO6S2","All.Compound.Names":"Clopidogrel hydrogen sulfate|Dtxsid4046024|135046-48-9","logHenry":-8.071,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.06122,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.764,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.293,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.1,"MP.Reference":"EPA-CCD-OPERA","MW":419.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"135046-48-9"}
{"Compound":"2-methyl-6-nitrobenzoic acid","CAS":"13506-76-8","CAS.Checksum":true,"DTXSID":"DTXSID7025639","Formula":"C8H7NO4","All.Compound.Names":"2-methyl-6-nitrobenzoic acid|Dtxsid7025639|13506-76-8","logHenry":-8.616,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.866,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.865,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.054,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.3,"MP.Reference":"EPA-CCD-OPERA","MW":181.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13506-76-8"}
{"Compound":"Cp-100829","CAS":"135080-03-4","CAS.Checksum":true,"DTXSID":"DTXSID7047304","Formula":"C14H7Cl2FN2O3S","All.Compound.Names":"Cp-100829|Dtxsid7047304|135080-03-4","logHenry":-10.15,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.586,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.725,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.172,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.6,"MP.Reference":"EPA-CCD-OPERA","MW":373.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"135080-03-4"}
{"Compound":"Sarpogrelate hydrochloride","CAS":"135159-51-2","CAS.Checksum":true,"DTXSID":"DTXSID8046662","Formula":"C24H32ClNO6","All.Compound.Names":"Sarpogrelate hydrochloride|Dtxsid8046662|135159-51-2","logHenry":-7.514,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.456,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.85,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.91,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.2,"MP.Reference":"EPA-CCD-OPERA","MW":466,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"135159-51-2"}
{"Compound":"Zirconyl chloride octahydrate","CAS":"13520-92-8","CAS.Checksum":true,"DTXSID":"DTXSID4049402","Formula":"Cl2H16O9Zr","All.Compound.Names":"Zirconyl chloride octahydrate","MW":322.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13520-92-8"}
{"Compound":"1-chloro-3,3-dimethyl-butan-2-one","CAS":"13547-70-1","CAS.Checksum":true,"DTXSID":"DTXSID8027749","Formula":"C6H11ClO","All.Compound.Names":"1-chloro-3,3-dimethyl-butan-2-one|1-chloropinacolone|Dtxsid8027749","logHenry":-4.367,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.066,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.729,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.082,"logWSol.Reference":"EPA-CCD-OPERA","MP":-13.54,"MP.Reference":"EPA-CCD-OPERA","MW":134.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13547-70-1"}
{"Compound":"Mefenpyr-diethyl","CAS":"135590-91-9","CAS.Checksum":true,"DTXSID":"DTXSID6037564","Formula":"C16H18Cl2N2O4","All.Compound.Names":"Mefenpyr-diethyl|Dtxsid6037564|135590-91-9","logHenry":-8.622,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.831,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.746,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.27,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.08,"MP.Reference":"EPA-CCD-OPERA","MW":373.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"135590-91-9"}
{"Compound":"Palonosetron hydrochloride","CAS":"135729-62-3","CAS.Checksum":true,"DTXSID":"DTXSID8046610","Formula":"C19H25ClN2O","All.Compound.Names":"Palonosetron hydrochloride|Dtxsid8046610|135729-62-3","logHenry":-7.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.425,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.947,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.614,"logWSol.Reference":"EPA-CCD-OPERA","MP":161,"MP.Reference":"EPA-CCD-OPERA","MW":332.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"135729-62-3"}
{"Compound":"1-butyl-1-methylpiperidinium trifluoromethanesulfonate","CAS":"1357500-93-6","CAS.Checksum":true,"DTXSID":"DTXSID3049384","Formula":"C11H22F3NO3S","All.Compound.Names":"1-butyl-1-methylpiperidinium trifluoromethanesulfonate|Dtxsid3049384|1357500-93-6","logHenry":-1.182,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7519,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.575,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.267,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.2,"MP.Reference":"EPA-CCD-OPERA","MW":305.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1357500-93-6"}
{"Compound":"Quinalphos","CAS":"13593-03-8","CAS.Checksum":true,"DTXSID":"DTXSID7024291","Formula":"C12H15N2O3PS","All.Compound.Names":"Quinalphos|Dtxsid7024291|13593-03-8","logHenry":-6.449,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.438,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.412,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.174,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.56,"MP.Reference":"EPA-CCD-OPERA","MW":298.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13593-03-8"}
{"Compound":"Zinc dibutyldithiocarbamate","CAS":"136-23-2","CAS.Checksum":true,"DTXSID":"DTXSID0021462","Formula":"C18H36N2S4Zn","All.Compound.Names":"Zinc dibutyldithiocarbamate|Dtxsid0021462|136-23-2","logHenry":-6.724,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.903,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.855,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.175,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.8,"MP.Reference":"EPA-CCD-OPERA","MW":474.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"136-23-2"}
{"Compound":"Sodium dibutylcarbamodithioate","CAS":"136-30-1","CAS.Checksum":true,"DTXSID":"DTXSID6044800","Formula":"C9H18NNaS2","All.Compound.Names":"Sodium dibutylcarbamodithioate|Dtxsid6044800|136-30-1","logHenry":-6.724,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.246,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.707,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.175,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.44,"MP.Reference":"EPA-CCD-OPERA","MW":227.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"136-30-1"}
{"Compound":"2,4,5-trichlorophenol sodium salt","CAS":"136-32-3","CAS.Checksum":true,"DTXSID":"DTXSID7041336","Formula":"C6H2Cl3NaO","All.Compound.Names":"2,4,5-trichlorophenol sodium salt|Dtxsid7041336|136-32-3","logHenry":-6.291,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.806,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.681,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.221,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.66,"MP.Reference":"EPA-CCD-OPERA","MW":219.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"136-32-3"}
{"Compound":"Diazoaminobenzene","CAS":"136-35-6","CAS.Checksum":true,"DTXSID":"DTXSID9024934","Formula":"C12H11N3","All.Compound.Names":"Diazoaminobenzene|Dtxsid9024934|136-35-6","logHenry":-6.797,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.401,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.195,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.601,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.09,"MP.Reference":"EPA-CCD-OPERA","MW":197.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"136-35-6"}
{"Compound":"Phenazopyridine hydrochloride","CAS":"136-40-3","CAS.Checksum":true,"DTXSID":"DTXSID1021118","Formula":"C11H12ClN5","All.Compound.Names":"Phenazopyridine hydrochloride|Dtxsid1021118|136-40-3","logHenry":-7.653,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.276,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.463,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.954,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.7,"MP.Reference":"EPA-CCD-OPERA","MW":249.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"136-40-3"}
{"Compound":"Glycerol 1-(p-aminobenzoate)","CAS":"136-44-7","CAS.Checksum":true,"DTXSID":"DTXSID8042002","Formula":"C10H13NO4","All.Compound.Names":"Glycerol 1-(p-aminobenzoate)|Lisadimate|Dtxsid8042002|136-44-7","logHenry":-10.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7708,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.096,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.578,"logWSol.Reference":"EPA-CCD-OPERA","MP":180,"MP.Reference":"EPA-CCD-OPERA","MW":211.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"136-44-7"}
{"Compound":"Tetracaine hydrochloride","CAS":"136-47-0","CAS.Checksum":true,"DTXSID":"DTXSID6042448","Formula":"C15H25ClN2O2","All.Compound.Names":"Tetracaine hydrochloride|Dtxsid6042448|136-47-0","logHenry":-8.826,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1339,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.986,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.747,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.7,"MP.Reference":"EPA-CCD-OPERA","MW":300.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"136-47-0"}
{"Compound":"Hexanoic acid, 2-ethyl-, calcium salt","CAS":"136-51-6","CAS.Checksum":true,"DTXSID":"DTXSID5027063","Formula":"C16H30CaO4","All.Compound.Names":"Hexanoic acid, 2-ethyl-, calcium salt|Calcium 2-ethylhexanoate|Dtxsid5027063|136-51-6","logHenry":-6.08,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.1,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.102,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.858,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.5,"MP.Reference":"EPA-CCD-OPERA","MW":326.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"136-51-6"}
{"Compound":"4-hexylresorcinol","CAS":"136-77-6","CAS.Checksum":true,"DTXSID":"DTXSID1020699","Formula":"C12H18O2","All.Compound.Names":"4-hexylresorcinol|Dtxsid1020699|136-77-6","logHenry":-6.279,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.451,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.665,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.589,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.2,"MP.Reference":"EPA-CCD-OPERA","MW":194.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Rat.Clint":"227","Rat.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"136-77-6"}
{"Compound":"5-methyl-1h-benzotriazole","CAS":"136-85-6","CAS.Checksum":true,"DTXSID":"DTXSID1038743","Formula":"C7H7N3","All.Compound.Names":"5-methyl-1h-benzotriazole|Dtxsid1038743|136-85-6","logHenry":-7.605,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.027,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.021,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.354,"logWSol.Reference":"EPA-CCD-OPERA","MP":81.14,"MP.Reference":"EPA-CCD-OPERA","MW":133.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"136-85-6"}
{"Compound":"2-aminobenzothiazole","CAS":"136-95-8","CAS.Checksum":true,"DTXSID":"DTXSID1024467","Formula":"C7H6N2S","All.Compound.Names":"2-aminobenzothiazole|Dtxsid1024467|136-95-8","logHenry":-6.634,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.912,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.633,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.635,"logWSol.Reference":"EPA-CCD-OPERA","MP":132,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"136-95-8"}
{"Compound":"Fr130739","CAS":"136042-19-8","CAS.Checksum":true,"DTXSID":"DTXSID1048178","Formula":"C24H22N7Na","All.Compound.Names":"Fr130739|Dtxsid1048178|136042-19-8","logHenry":-6.866,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.777,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.448,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.491,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.9,"MP.Reference":"EPA-CCD-OPERA","MW":431.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"136042-19-8"}
{"Compound":"2',3',4'-trichloroacetophenone","CAS":"13608-87-2","CAS.Checksum":true,"DTXSID":"DTXSID2022256","Formula":"C8H5Cl3O","All.Compound.Names":"2',3',4'-trichloroacetophenone|Dtxsid2022256","logHenry":-5.682,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.702,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.059,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.302,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.47,"MP.Reference":"EPA-CCD-OPERA","MW":223.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13608-87-2"}
{"Compound":"Fidarestat","CAS":"136087-85-9","CAS.Checksum":true,"DTXSID":"DTXSID4046654","Formula":"C12H10FN3O4","All.Compound.Names":"Fidarestat|Dtxsid4046654|136087-85-9","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.395,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.7,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.922,"logWSol.Reference":"EPA-CCD-OPERA","MP":221.9,"MP.Reference":"EPA-CCD-OPERA","MW":279.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"136087-85-9"}
{"Compound":"Hydrocortisone 17-butyrate","CAS":"13609-67-1","CAS.Checksum":true,"DTXSID":"DTXSID4045896","Formula":"C25H36O6","All.Compound.Names":"Hydrocortisone 17-butyrate|Dtxsid4045896|13609-67-1","logHenry":-10.2,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.121,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.436,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.739,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.7,"MP.Reference":"EPA-CCD-OPERA","MW":432.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13609-67-1"}
{"Compound":"Tiotropium bromide","CAS":"136310-93-5","CAS.Checksum":true,"DTXSID":"DTXSID2044214","Formula":"C19H22BrNO4S2","All.Compound.Names":"Tiotropium bromide|Dtxsid2044214|136310-93-5","logHenry":-7.855,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.573,"logP.Reference":"EPA-CCD-OPERA","logPwa":13.25,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.449,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.8,"MP.Reference":"EPA-CCD-OPERA","MW":472.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"136310-93-5"}
{"Compound":"Fendiline hydrochloride","CAS":"13636-18-5","CAS.Checksum":true,"DTXSID":"DTXSID2045860","Formula":"C23H26ClN","All.Compound.Names":"Fendiline hydrochloride|Dtxsid2045860|13636-18-5","logHenry":-6.48,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.136,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.485,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.345,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.7,"MP.Reference":"EPA-CCD-OPERA","MW":351.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13636-18-5"}
{"Compound":"Lintitript","CAS":"136381-85-6","CAS.Checksum":true,"DTXSID":"DTXSID9046738","Formula":"C20H14ClN3O3S","All.Compound.Names":"Lintitript|Dtxsid9046738|136381-85-6","logHenry":-11.19,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.276,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.387,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.023,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.4,"MP.Reference":"EPA-CCD-OPERA","MW":411.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"136381-85-6"}
{"Compound":"Duloxetine hydrochloride","CAS":"136434-34-9","CAS.Checksum":true,"DTXSID":"DTXSID9046443","Formula":"C18H20ClNOS","All.Compound.Names":"Duloxetine hydrochloride|Dtxsid9046443|136434-34-9","logHenry":-9.125,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.644,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.655,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.097,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.2,"MP.Reference":"EPA-CCD-OPERA","MW":333.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"136434-34-9"}
{"Compound":"Trilostane","CAS":"13647-35-3","CAS.Checksum":true,"DTXSID":"DTXSID9023706","Formula":"C20H27NO3","All.Compound.Names":"Trilostane|Dtxsid9023706|13647-35-3","logHenry":-8.644,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.245,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.469,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.449,"logWSol.Reference":"EPA-CCD-OPERA","MP":226.3,"MP.Reference":"EPA-CCD-OPERA","MW":329.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13647-35-3"}
{"Compound":"Tris(2-chloroisopropyl)phosphate","CAS":"13674-84-5","CAS.Checksum":true,"DTXSID":"DTXSID5026259","Formula":"C9H18Cl3O4P","All.Compound.Names":"Tris(2-chloroisopropyl)phosphate|Dtxsid5026259","logHenry":-6.362,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.592,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.256,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.441,"logWSol.Reference":"EPA-CCD-OPERA","MP":-40,"MP.Reference":"EPA-CCD-OPERA","MW":327.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13674-84-5"}
{"Compound":"Bismaleimide","CAS":"13676-54-5","CAS.Checksum":true,"DTXSID":"DTXSID8044381","Formula":"C21H14N2O4","All.Compound.Names":"Bismaleimide|Dtxsid8044381|13676-54-5","logHenry":-7.99,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.717,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.961,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.62,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.5,"MP.Reference":"EPA-CCD-OPERA","MW":358.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13676-54-5"}
{"Compound":"S-furfuryl thioacetate","CAS":"13678-68-7","CAS.Checksum":true,"DTXSID":"DTXSID5047661","Formula":"C7H8O2S","All.Compound.Names":"S-furfuryl thioacetate|Dtxsid5047661|13678-68-7","logHenry":-7.345,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.119,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.964,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8756,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.04,"MP.Reference":"EPA-CCD-OPERA","MW":156.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-2.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13678-68-7"}
{"Compound":"5-methyl-2-thiophenecarboxaldehyde","CAS":"13679-70-4","CAS.Checksum":true,"DTXSID":"DTXSID0047169","Formula":"C6H6OS","All.Compound.Names":"5-methyl-2-thiophenecarboxaldehyde|Dtxsid0047169","logHenry":-4.458,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.278,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.242,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5466,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.39,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13679-70-4"}
{"Compound":"Lubiprostone","CAS":"136790-76-6","CAS.Checksum":true,"DTXSID":"DTXSID5048639","Formula":"C20H32F2O5","All.Compound.Names":"Lubiprostone|(11alpha)-16,16-difluoro-11-hydroxy-9,15-dioxoprostan-1-oic acid|136790-76-6|Dtxsid5048639","logHenry":-8.72,"logHenry.Reference":"OPERA29","logP":4.3,"logP.Reference":"OPERA29","logWSol":-3.39,"logWSol.Reference":"OPERA29","MP":96,"MP.Reference":"OPERA29","MW":390.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"136790-76-6"}
{"Compound":"Delavirdine","CAS":"136817-59-9","CAS.Checksum":true,"DTXSID":"DTXSID6022892","Formula":"C22H28N6O3S","All.Compound.Names":"Delavirdine|136817-59-9|Dtxsid6022892","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.618,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.851,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.344,"logWSol.Reference":"EPA-CCD-OPERA","MP":236.8,"MP.Reference":"EPA-CCD-OPERA","MW":456.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.85,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"136817-59-9"}
{"Compound":"Desmedipham","CAS":"13684-56-5","CAS.Checksum":true,"DTXSID":"DTXSID0034518","Formula":"C16H16N2O4","All.Compound.Names":"Desmedipham|Dtxsid0034518|13684-56-5","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.39,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.991,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.631,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.2,"MP.Reference":"EPA-CCD-OPERA","MW":300.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13684-56-5"}
{"Compound":"Phenmedipham","CAS":"13684-63-4","CAS.Checksum":true,"DTXSID":"DTXSID1024255","Formula":"C16H16N2O4","All.Compound.Names":"Phenmedipham|Dtxsid1024255|13684-63-4","logHenry":-9.822,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.589,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.79,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.898,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.9,"MP.Reference":"EPA-CCD-OPERA","MW":300.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13684-63-4"}
{"Compound":"Thiamine thiozole","CAS":"137-00-8","CAS.Checksum":true,"DTXSID":"DTXSID3044382","Formula":"C6H9NOS","All.Compound.Names":"Thiamine thiozole|Dtxsid3044382|137-00-8","logHenry":-6.532,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.06,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.143,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.426,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.45,"MP.Reference":"EPA-CCD-OPERA","MW":143.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137-00-8"}
{"Compound":"2-heptylcyclopentanone","CAS":"137-03-1","CAS.Checksum":true,"DTXSID":"DTXSID8044547","Formula":"C12H22O","All.Compound.Names":"2-heptylcyclopentanone|Dtxsid8044547","logHenry":-3.762,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.962,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.356,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.691,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.22,"MP.Reference":"EPA-CCD-OPERA","MW":182.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137-03-1"}
{"Compound":"2-methylbenzenethiol","CAS":"137-06-4","CAS.Checksum":true,"DTXSID":"DTXSID8047135","Formula":"C7H8S","All.Compound.Names":"2-methylbenzenethiol|Dtxsid8047135|137-06-4","logHenry":-3.559,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.304,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.636,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.468,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.72,"MP.Reference":"EPA-CCD-OPERA","MW":124.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137-06-4"}
{"Compound":"Calcium pantothenate","CAS":"137-08-6","CAS.Checksum":true,"DTXSID":"DTXSID8040438","Formula":"C18H32CaN2O10","All.Compound.Names":"Calcium pantothenate|Dtxsid8040438|137-08-6","logHenry":-9.388,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.786,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.19,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6572,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.5,"MP.Reference":"EPA-CCD-OPERA","MW":476.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.29","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137-08-6"}
{"Compound":"2,4-diaminophenol dihydrochloride","CAS":"137-09-7","CAS.Checksum":true,"DTXSID":"DTXSID9020401","Formula":"C6H10Cl2N2O","All.Compound.Names":"2,4-diaminophenol dihydrochloride|Dtxsid9020401|137-09-7","logHenry":-7.926,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.438,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.329,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8557,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.7,"MP.Reference":"EPA-CCD-OPERA","MW":197.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.8","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137-09-7"}
{"Compound":"Sodium [dodecanoyl(methyl)amino]acetate","CAS":"137-16-6","CAS.Checksum":true,"DTXSID":"DTXSID0027066","Formula":"C15H28NNaO3","All.Compound.Names":"Sodium [dodecanoyl(methyl)amino]acetate|Glycine, n-methyl-n-(1-oxododecyl)-, sodium salt|Dtxsid0027066|137-16-6","logHenry":-8.242,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.251,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.363,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.83,"logWSol.Reference":"EPA-CCD-OPERA","MP":51,"MP.Reference":"EPA-CCD-OPERA","MW":293.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137-16-6"}
{"Compound":"2,4,5-trimethylaniline","CAS":"137-17-7","CAS.Checksum":true,"DTXSID":"DTXSID9021398","Formula":"C9H13N","All.Compound.Names":"2,4,5-trimethylaniline|Dtxsid9021398|137-17-7","logHenry":-5.606,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.268,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.343,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.955,"logWSol.Reference":"EPA-CCD-OPERA","MP":66.43,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137-17-7"}
{"Compound":"4,6-dichloro-1,3-benzenediol","CAS":"137-19-9","CAS.Checksum":true,"DTXSID":"DTXSID8021563","Formula":"C6H4Cl2O2","All.Compound.Names":"4,6-dichloro-1,3-benzenediol|Dtxsid8021563|137-19-9","logHenry":-6.764,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.795,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.947,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.609,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.9,"MP.Reference":"EPA-CCD-OPERA","MW":179,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137-19-9"}
{"Compound":"Copper dimethyldithiocarbamate","CAS":"137-29-1","CAS.Checksum":true,"DTXSID":"DTXSID2020345","Formula":"C6H12CuN2S4","All.Compound.Names":"Copper dimethyldithiocarbamate|Dtxsid2020345|137-29-1","logHenry":-7.986,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.608,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.97,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.504,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.2,"MP.Reference":"EPA-CCD-OPERA","MW":304,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137-29-1"}
{"Compound":"2-methyl-1-butanol","CAS":"137-32-6","CAS.Checksum":true,"DTXSID":"DTXSID5027069","Formula":"C5H12O","All.Compound.Names":"2-methyl-1-butanol|Dtxsid5027069|137-32-6","logHenry":-4.851,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.289,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.217,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4711,"logWSol.Reference":"EPA-CCD-OPERA","MP":-56.05,"MP.Reference":"EPA-CCD-OPERA","MW":88.15,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137-32-6"}
{"Compound":"Sodium propionate","CAS":"137-40-6","CAS.Checksum":true,"DTXSID":"DTXSID7021996","Formula":"C3H5NaO2","All.Compound.Names":"Sodium propionate|Dtxsid7021996|137-40-6","logHenry":-6.352,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.831,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.776,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9222,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.3,"MP.Reference":"EPA-CCD-OPERA","MW":96.06,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137-40-6"}
{"Compound":"Metam-sodium","CAS":"137-42-8","CAS.Checksum":true,"DTXSID":"DTXSID2029167","Formula":"C2H4NNaS2","All.Compound.Names":"Metam-sodium|Dtxsid2029167|137-42-8","logHenry":-7.817,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.042,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.223,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6895,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.23,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137-42-8"}
{"Compound":"Ascorbyl palmitate","CAS":"137-66-6","CAS.Checksum":true,"DTXSID":"DTXSID3041611","Formula":"C22H38O7","All.Compound.Names":"Ascorbyl palmitate|Dtxsid3041611|137-66-6","logHenry":-7.502,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.389,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.142,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.283,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.5,"MP.Reference":"EPA-CCD-OPERA","MW":414.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137-66-6"}
{"Compound":"Octotiamine","CAS":"137-86-0","CAS.Checksum":true,"DTXSID":"DTXSID3057640","Formula":"C23H36N4O5S3","All.Compound.Names":"Octotiamine|Dtxsid3057640|137-86-0","logHenry":-9.855,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.042,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.688,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.088,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.1,"MP.Reference":"EPA-CCD-OPERA","MW":544.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137-86-0"}
{"Compound":"Amprolium hydrochloride","CAS":"137-88-2","CAS.Checksum":true,"DTXSID":"DTXSID0045547","Formula":"C14H20Cl2N4","All.Compound.Names":"Amprolium hydrochloride|Dtxsid0045547|137-88-2","logHenry":-7.857,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2987,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.13,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.378,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.6,"MP.Reference":"EPA-CCD-OPERA","MW":315.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137-88-2"}
{"Compound":"5-methyl-2,3-hexanedione","CAS":"13706-86-0","CAS.Checksum":true,"DTXSID":"DTXSID7049215","Formula":"C7H12O2","All.Compound.Names":"5-methyl-2,3-hexanedione|Dtxsid7049215","logHenry":-6.149,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.874,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.557,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.162,"logWSol.Reference":"EPA-CCD-OPERA","MP":10.42,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13706-86-0"}
{"Compound":"Pimecrolimus","CAS":"137071-32-0","CAS.Checksum":true,"DTXSID":"DTXSID2046674","Formula":"C43H68ClNO11","All.Compound.Names":"Pimecrolimus|137071-32-0|Dtxsid2046674","logHenry":-8.047,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.712,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.083,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.417,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.4,"MP.Reference":"EPA-CCD-OPERA","MW":810.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"137071-32-0"}
{"Compound":"5-methylquinoxaline","CAS":"13708-12-8","CAS.Checksum":true,"DTXSID":"DTXSID4047090","Formula":"C9H8N2","All.Compound.Names":"5-methylquinoxaline|Dtxsid4047090|13708-12-8","logHenry":-6.346,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.038,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.711,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6275,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.5,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13708-12-8"}
{"Compound":"Aptiganel hydrochloride","CAS":"137160-11-3","CAS.Checksum":true,"DTXSID":"DTXSID9045762","Formula":"C20H22ClN3","All.Compound.Names":"Aptiganel hydrochloride|Dtxsid9045762|137160-11-3","logHenry":-9.879,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7633,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.592,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.466,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.5,"MP.Reference":"EPA-CCD-OPERA","MW":339.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137160-11-3"}
{"Compound":"Odiparcil","CAS":"137215-12-4","CAS.Checksum":true,"DTXSID":"DTXSID4057639","Formula":"C15H16O6S","All.Compound.Names":"Odiparcil|Dtxsid4057639|137215-12-4","logHenry":-9.275,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3144,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.986,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.856,"logWSol.Reference":"EPA-CCD-OPERA","MP":249.9,"MP.Reference":"EPA-CCD-OPERA","MW":324.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137215-12-4"}
{"Compound":"Diacerein","CAS":"13739-02-1","CAS.Checksum":true,"DTXSID":"DTXSID4045636","Formula":"C19H12O8","All.Compound.Names":"Diacerein|Dtxsid4045636|13739-02-1","logHenry":-10.56,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.518,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.867,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.266,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.5,"MP.Reference":"EPA-CCD-OPERA","MW":368.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13739-02-1"}
{"Compound":"Sodium tetrafluoroborate","CAS":"13755-29-8","CAS.Checksum":true,"DTXSID":"DTXSID9021477","Formula":"BF4Na","All.Compound.Names":"Sodium tetrafluoroborate","MW":109.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13755-29-8"}
{"Compound":"Sodium nitroprusside dihydrate","CAS":"13755-38-9","CAS.Checksum":true,"DTXSID":"DTXSID7041126","Formula":"C5H4FeN6Na2O3","All.Compound.Names":"Sodium nitroprusside dihydrate","MW":298,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13755-38-9"}
{"Compound":"Europium(iii) chloride hexahydrate","CAS":"13759-92-7","CAS.Checksum":true,"DTXSID":"DTXSID6051695","Formula":"Cl3EuH12O6","All.Compound.Names":"Europium(iii) chloride hexahydrate","MW":366.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13759-92-7"}
{"Compound":"Mozavaptan","CAS":"137975-06-5","CAS.Checksum":true,"DTXSID":"DTXSID8057641","Formula":"C27H29N3O2","All.Compound.Names":"Mozavaptan|Dtxsid8057641|137975-06-5","logHenry":-10.21,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.411,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.789,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.245,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.8,"MP.Reference":"EPA-CCD-OPERA","MW":427.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137975-06-5"}
{"Compound":"Deferoxamine mesylate","CAS":"138-14-7","CAS.Checksum":true,"DTXSID":"DTXSID6037649","Formula":"C26H52N6O11S","All.Compound.Names":"Deferoxamine mesylate|Dtxsid6037649|138-14-7","logHenry":-10.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6394,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.912,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.67,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.9,"MP.Reference":"EPA-CCD-OPERA","MW":656.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"138-14-7"}
{"Compound":"L-glutamic acid hydrochloride","CAS":"138-15-8","CAS.Checksum":true,"DTXSID":"DTXSID6047155","Formula":"C5H10ClNO4","All.Compound.Names":"L-glutamic acid hydrochloride|Dtxsid6047155|138-15-8","logHenry":-9.303,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.872,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.13,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1617,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.9,"MP.Reference":"EPA-CCD-OPERA","MW":183.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.15","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"138-15-8"}
{"Compound":"Butyl lactate","CAS":"138-22-7","CAS.Checksum":true,"DTXSID":"DTXSID7042196","Formula":"C7H14O3","All.Compound.Names":"Butyl lactate|Dtxsid7042196|138-22-7","logHenry":-6.612,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.672,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.273,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5629,"logWSol.Reference":"EPA-CCD-OPERA","MP":-27.91,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"138-22-7"}
{"Compound":"Mafenide hydrochloride","CAS":"138-37-4","CAS.Checksum":true,"DTXSID":"DTXSID6045296","Formula":"C7H11ClN2O2S","All.Compound.Names":"Mafenide hydrochloride|Dtxsid6045296|138-37-4","logHenry":-7.286,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.5,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.339,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3129,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.3,"MP.Reference":"EPA-CCD-OPERA","MW":222.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.25","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"138-37-4"}
{"Compound":"Carzenide","CAS":"138-41-0","CAS.Checksum":true,"DTXSID":"DTXSID1045089","Formula":"C7H7NO4S","All.Compound.Names":"Carzenide|Dtxsid1045089|138-41-0","logHenry":-8.706,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4989,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.34,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.55,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.7,"MP.Reference":"EPA-CCD-OPERA","MW":201.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"138-41-0"}
{"Compound":"Limonene","CAS":"138-86-3","CAS.Checksum":true,"DTXSID":"DTXSID2029612","Formula":"C10H16","All.Compound.Names":"Limonene|Dtxsid2029612","logHenry":-1.647,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.514,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.203,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.041,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.05,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"138-86-3"}
{"Compound":"Beta-terpineol","CAS":"138-87-4","CAS.Checksum":true,"DTXSID":"DTXSID7041209","Formula":"C10H18O","All.Compound.Names":"Beta-terpineol|Dtxsid7041209|138-87-4","logHenry":-5.445,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.04,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.953,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.183,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.96,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"138-87-4"}
{"Compound":"N,n-dimethyl-4-nitrosoaniline","CAS":"138-89-6","CAS.Checksum":true,"DTXSID":"DTXSID7025138","Formula":"C8H10N2O","All.Compound.Names":"N,n-dimethyl-4-nitrosoaniline|Dtxsid7025138|138-89-6","logHenry":-5.832,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.027,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.812,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.386,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.38,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"138-89-6"}
{"Compound":"Betazole hydrochloride","CAS":"138-92-1","CAS.Checksum":true,"DTXSID":"DTXSID6047789","Formula":"C5H10ClN3","All.Compound.Names":"Betazole hydrochloride|Dtxsid6047789|138-92-1","logHenry":-7.278,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.311,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.492,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4432,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.2,"MP.Reference":"EPA-CCD-OPERA","MW":147.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"138-92-1"}
{"Compound":"Agomelatine","CAS":"138112-76-2","CAS.Checksum":true,"DTXSID":"DTXSID3057642","Formula":"C15H17NO2","All.Compound.Names":"Agomelatine|Dtxsid3057642|138112-76-2","logHenry":-9.653,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.529,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.134,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.511,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.3,"MP.Reference":"EPA-CCD-OPERA","MW":243.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"138112-76-2"}
{"Compound":"4-isopropylbenzonitrile","CAS":"13816-33-6","CAS.Checksum":true,"DTXSID":"DTXSID6047440","Formula":"C10H11N","All.Compound.Names":"4-isopropylbenzonitrile|Dtxsid6047440","logHenry":-4.133,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.444,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.637,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.955,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.87,"MP.Reference":"EPA-CCD-OPERA","MW":145.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13816-33-6"}
{"Compound":"Ammonium tetrachloroplatinate(ii)","CAS":"13820-41-2","CAS.Checksum":true,"DTXSID":"DTXSID2049216","Formula":"Cl4H8N2Pt","All.Compound.Names":"Ammonium tetrachloroplatinate(ii)","MW":373,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13820-41-2"}
{"Compound":"3-phenoxybenzenemethanol","CAS":"13826-35-2","CAS.Checksum":true,"DTXSID":"DTXSID7027756","Formula":"C13H12O2","All.Compound.Names":"3-phenoxybenzenemethanol|Dtxsid7027756|13826-35-2","logHenry":-7.151,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.951,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.049,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.26,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.59,"MP.Reference":"EPA-CCD-OPERA","MW":200.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13826-35-2"}
{"Compound":"Enflurane","CAS":"13838-16-9","CAS.Checksum":true,"DTXSID":"DTXSID1020562","Formula":"C3H2ClF5O","All.Compound.Names":"Enflurane|Dtxsid1020562","logHenry":-1.349,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.099,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.184,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.517,"logWSol.Reference":"EPA-CCD-OPERA","MP":10.83,"MP.Reference":"EPA-CCD-OPERA","MW":184.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"13838-16-9"}
{"Compound":"Fenchyl acetate","CAS":"13851-11-1","CAS.Checksum":true,"DTXSID":"DTXSID2047197","Formula":"C12H20O2","All.Compound.Names":"Fenchyl acetate|3,3-dimethyl-8,9-dinorbornan-2-yl acetate|Dtxsid2047197","logHenry":-3.288,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.176,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.697,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.852,"logWSol.Reference":"EPA-CCD-OPERA","MP":33.52,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13851-11-1"}
{"Compound":"Coenzyme b12","CAS":"13870-90-1","CAS.Checksum":true,"DTXSID":"DTXSID1046009","Formula":"C72H100CoN18O17P","All.Compound.Names":"Coenzyme b12","MW":1580,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13870-90-1"}
{"Compound":"Eszopiclone","CAS":"138729-47-2","CAS.Checksum":true,"DTXSID":"DTXSID8046086","Formula":"C17H17ClN6O3","All.Compound.Names":"Eszopiclone|Dtxsid8046086|138729-47-2","logHenry":-9.243,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.236,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.451,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.589,"logWSol.Reference":"EPA-CCD-OPERA","MP":178,"MP.Reference":"EPA-CCD-OPERA","MW":388.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"138729-47-2"}
{"Compound":"Pantoprazole sodium","CAS":"138786-67-1","CAS.Checksum":true,"DTXSID":"DTXSID7044215","Formula":"C16H14F2N3NaO4S","All.Compound.Names":"Pantoprazole sodium|Dtxsid7044215|138786-67-1","logHenry":-9.273,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.453,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.856,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.986,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.9,"MP.Reference":"EPA-CCD-OPERA","MW":405.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"138786-67-1"}
{"Compound":"Ibandronate sodium","CAS":"138844-81-2","CAS.Checksum":true,"DTXSID":"DTXSID8046618","Formula":"C9H22NNaO7P2","All.Compound.Names":"Ibandronate sodium|Dtxsid8046618|138844-81-2","logHenry":-8.491,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4154,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.896,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.04074,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.3,"MP.Reference":"EPA-CCD-OPERA","MW":341.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"138844-81-2"}
{"Compound":"S-(propyl) chlorothioformate","CAS":"13889-92-4","CAS.Checksum":true,"DTXSID":"DTXSID8025963","Formula":"C4H7ClOS","All.Compound.Names":"S-(propyl) chlorothioformate|Dtxsid8025963","logHenry":-4.965,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.244,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.219,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9502,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.28,"MP.Reference":"EPA-CCD-OPERA","MW":138.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13889-92-4"}
{"Compound":"Brinzolamide","CAS":"138890-62-7","CAS.Checksum":true,"DTXSID":"DTXSID6045531","Formula":"C12H21N3O5S3","All.Compound.Names":"Brinzolamide|Dtxsid6045531|138890-62-7","logHenry":-9.746,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3127,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.932,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.593,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.5,"MP.Reference":"EPA-CCD-OPERA","MW":383.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"138890-62-7"}
{"Compound":"Butanenitrile, 2-amino-2,3-dimethyl-","CAS":"13893-53-3","CAS.Checksum":true,"DTXSID":"DTXSID2027759","Formula":"C6H12N2","All.Compound.Names":"Butanenitrile, 2-amino-2,3-dimethyl-|2-amino-2,3-dimethylbutanenitrile|Dtxsid2027759|13893-53-3","logHenry":-6.619,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6638,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.084,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3524,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.51,"MP.Reference":"EPA-CCD-OPERA","MW":112.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13893-53-3"}
{"Compound":"Benzoylpas","CAS":"13898-58-3","CAS.Checksum":true,"DTXSID":"DTXSID8046406","Formula":"C14H11NO4","All.Compound.Names":"Benzoylpas|Dtxsid8046406|13898-58-3","logHenry":-9.903,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.039,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.203,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.559,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.3,"MP.Reference":"EPA-CCD-OPERA","MW":257.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13898-58-3"}
{"Compound":"Sodium phenolate","CAS":"139-02-6","CAS.Checksum":true,"DTXSID":"DTXSID4027072","Formula":"C6H5NaO","All.Compound.Names":"Sodium phenolate|Dtxsid4027072|139-02-6","logHenry":-6.473,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.623,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.418,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.03892,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.37,"MP.Reference":"EPA-CCD-OPERA","MW":116.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"139-02-6"}
{"Compound":"Sodium cyclamate","CAS":"139-05-9","CAS.Checksum":true,"DTXSID":"DTXSID6020355","Formula":"C6H12NNaO3S","All.Compound.Names":"Sodium cyclamate|Dtxsid6020355|139-05-9","logHenry":-7.853,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.706,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.506,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.08292,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.1,"MP.Reference":"EPA-CCD-OPERA","MW":201.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"139-05-9"}
{"Compound":"Benzyldimethyldodecylammonium chloride","CAS":"139-07-1","CAS.Checksum":true,"DTXSID":"DTXSID2040787","Formula":"C21H38ClN","All.Compound.Names":"Benzyldimethyldodecylammonium chloride|Dtxsid2040787|Benzalkonium chloride c12 (bac c12)|139-07-1","logHenry":-5.705,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.784,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.64,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.311,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.5,"MP.Reference":"EPA-CCD-OPERA","MW":340,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"139-07-1"}
{"Compound":"Nitrilotriacetic acid","CAS":"139-13-9","CAS.Checksum":true,"DTXSID":"DTXSID6020939","Formula":"C6H9NO6","All.Compound.Names":"Nitrilotriacetic acid|Dtxsid6020939|139-13-9","logHenry":-9.548,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.617,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.508,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5096,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.8,"MP.Reference":"EPA-CCD-OPERA","MW":191.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"139-13-9"}
{"Compound":"Cyclomethycaine","CAS":"139-62-8","CAS.Checksum":true,"DTXSID":"DTXSID8057643","Formula":"C22H33NO3","All.Compound.Names":"Cyclomethycaine|Dtxsid8057643|139-62-8","logHenry":-6.774,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.437,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.095,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.164,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.53,"MP.Reference":"EPA-CCD-OPERA","MW":359.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"139-62-8"}
{"Compound":"4,4'-thiodianiline","CAS":"139-65-1","CAS.Checksum":true,"DTXSID":"DTXSID9021344","Formula":"C12H12N2S","All.Compound.Names":"4,4'-thiodianiline|Dtxsid9021344|139-65-1","logHenry":-6.97,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.179,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.851,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.643,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.6,"MP.Reference":"EPA-CCD-OPERA","MW":216.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"139-65-1"}
{"Compound":"Diphenyl sulfide","CAS":"139-66-2","CAS.Checksum":true,"DTXSID":"DTXSID8044383","Formula":"C12H10S","All.Compound.Names":"Diphenyl sulfide|Dtxsid8044383","logHenry":-4.089,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.449,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.802,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.835,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.19,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"139-66-2"}
{"Compound":"Ethyl diethanolamine","CAS":"139-87-7","CAS.Checksum":true,"DTXSID":"DTXSID8041955","Formula":"C6H15NO2","All.Compound.Names":"Ethyl diethanolamine|Dtxsid8041955|139-87-7","logHenry":-8.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5703,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.157,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.876,"logWSol.Reference":"EPA-CCD-OPERA","MP":-49.83,"MP.Reference":"EPA-CCD-OPERA","MW":133.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"139-87-7"}
{"Compound":"7-ethyl-2-methyl-4-undecanolsulfate, sodium salt","CAS":"139-88-8","CAS.Checksum":true,"DTXSID":"DTXSID3041530","Formula":"C14H29NaO4S","All.Compound.Names":"7-ethyl-2-methyl-4-undecanolsulfate, sodium salt|Dtxsid3041530|139-88-8","logHenry":-7.673,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.888,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.006,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.835,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.4,"MP.Reference":"EPA-CCD-OPERA","MW":316.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"139-88-8"}
{"Compound":"Dodecyl sulfate triethanolamine","CAS":"139-96-8","CAS.Checksum":true,"DTXSID":"DTXSID4027076","Formula":"C18H41NO7S","All.Compound.Names":"Dodecyl sulfate triethanolamine|Dodecyl sulfate triethanolamine salt|Dtxsid4027076|139-96-8","logHenry":-6.633,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7891,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.926,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.229,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.2,"MP.Reference":"EPA-CCD-OPERA","MW":415.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"139-96-8"}
{"Compound":"Semustine","CAS":"13909-09-6","CAS.Checksum":true,"DTXSID":"DTXSID8031603","Formula":"C10H18ClN3O2","All.Compound.Names":"Semustine|Dtxsid8031603|13909-09-6","logHenry":-9.343,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.298,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.939,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.547,"logWSol.Reference":"EPA-CCD-OPERA","MP":104,"MP.Reference":"EPA-CCD-OPERA","MW":247.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13909-09-6"}
{"Compound":"Nicoboxil","CAS":"13912-80-6","CAS.Checksum":true,"DTXSID":"DTXSID4057635","Formula":"C12H17NO3","All.Compound.Names":"Nicoboxil|Dtxsid4057635|13912-80-6","logHenry":-7.723,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.201,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.218,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.436,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.09,"MP.Reference":"EPA-CCD-OPERA","MW":223.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13912-80-6"}
{"Compound":"Sb202235","CAS":"139149-55-6","CAS.Checksum":true,"DTXSID":"DTXSID1047318","Formula":"C16H16N2O4","All.Compound.Names":"Sb202235|Dtxsid1047318|139149-55-6","logHenry":-9.305,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.572,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.816,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.056,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.1,"MP.Reference":"EPA-CCD-OPERA","MW":300.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"139149-55-6"}
{"Compound":"Zelandopam","CAS":"139233-53-7","CAS.Checksum":true,"DTXSID":"DTXSID2048820","Formula":"C15H16ClNO4","All.Compound.Names":"Zelandopam|Dtxsid2048820|139233-53-7","logHenry":-9.607,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.984,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.46,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.126,"logWSol.Reference":"EPA-CCD-OPERA","MP":279.6,"MP.Reference":"EPA-CCD-OPERA","MW":309.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"139233-53-7"}
{"Compound":"Nickel dibutyldithiocarbamate","CAS":"13927-77-0","CAS.Checksum":true,"DTXSID":"DTXSID2020927","Formula":"C18H36N2NiS4","All.Compound.Names":"Nickel dibutyldithiocarbamate|Nickel bis(dibutyldithiocarbamate)|Dtxsid2020927|13927-77-0","logHenry":-6.724,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.213,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.165,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.175,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.5,"MP.Reference":"EPA-CCD-OPERA","MW":467.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13927-77-0"}
{"Compound":"Thiostrepton","CAS":"1393-48-2","CAS.Checksum":true,"DTXSID":"DTXSID5040625","Formula":"C72H85N19O18S5","All.Compound.Names":"Thiostrepton|Dtxsid5040625","logHenry":-10.6,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.427,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.509,"logWSol.Reference":"EPA-CCD-OPERA","MP":380,"MP.Reference":"OPERA29","MW":1665,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1393-48-2"}
{"Compound":"Annatto","CAS":"1393-63-1","CAS.Checksum":true,"DTXSID":"DTXSID7024534","All.Compound.Names":"Annatto","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1393-63-1"}
{"Compound":"Potassium tetrathionate","CAS":"13932-13-3","CAS.Checksum":true,"DTXSID":"DTXSID9047043","Formula":"K2O6S4","All.Compound.Names":"Potassium tetrathionate","MW":302.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13932-13-3"}
{"Compound":"Iproheptine","CAS":"13946-02-6","CAS.Checksum":true,"DTXSID":"DTXSID8046248","Formula":"C11H25N","All.Compound.Names":"Iproheptine|Dtxsid8046248|13946-02-6","logHenry":-4.535,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.639,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.193,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.008,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.678,"MP.Reference":"EPA-CCD-OPERA","MW":171.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13946-02-6"}
{"Compound":"2-butanamine","CAS":"13952-84-6","CAS.Checksum":true,"DTXSID":"DTXSID4022284","Formula":"C4H11N","All.Compound.Names":"2-butanamine|Dtxsid4022284|13952-84-6","logHenry":-4.743,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7399,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.344,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2093,"logWSol.Reference":"EPA-CCD-OPERA","MP":-103.6,"MP.Reference":"EPA-CCD-OPERA","MW":73.14,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13952-84-6"}
{"Compound":"Aluminum trisacetoacetate","CAS":"13963-57-0","CAS.Checksum":true,"DTXSID":"DTXSID8051704","Formula":"C15H21AlO6","All.Compound.Names":"Aluminum trisacetoacetate","MW":324.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13963-57-0"}
{"Compound":"Potassium dicyanoaurate","CAS":"13967-50-5","CAS.Checksum":true,"DTXSID":"DTXSID8044549","Formula":"C2AuKN2","All.Compound.Names":"Potassium dicyanoaurate","MW":288.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13967-50-5"}
{"Compound":"Metaflumizone","CAS":"139968-49-3","CAS.Checksum":true,"DTXSID":"DTXSID6040373","Formula":"C24H16F6N4O2","All.Compound.Names":"Metaflumizone|Dtxsid6040373|139968-49-3","logHenry":-7.297,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.226,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.09,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.173,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.7,"MP.Reference":"EPA-CCD-OPERA","MW":506.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"139968-49-3"}
{"Compound":"Nequinate","CAS":"13997-19-8","CAS.Checksum":true,"DTXSID":"DTXSID2048610","Formula":"C22H23NO4","All.Compound.Names":"Nequinate|Dtxsid2048610|13997-19-8","logHenry":-8.136,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.276,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.299,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.8,"logWSol.Reference":"EPA-CCD-OPERA","MP":287.1,"MP.Reference":"EPA-CCD-OPERA","MW":365.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13997-19-8"}
{"Compound":"Ethanol, 2,2',2'',2'''-(1,2-ethanediyldinitrilo)tetrakis-","CAS":"140-07-8","CAS.Checksum":true,"DTXSID":"DTXSID2041917","Formula":"C10H24N2O4","All.Compound.Names":"Ethanol, 2,2',2'',2'''-(1,2-ethanediyldinitrilo)tetrakis-|2,2',2'',2'''-(1,2-ethanediyldinitrilo)tetrakisethanol|Dtxsid2041917|140-07-8","logHenry":-10.06,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9447,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.351,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.023,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.51,"MP.Reference":"EPA-CCD-OPERA","MW":236.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-07-8"}
{"Compound":"Tris(2-chloroethyl) phosphite","CAS":"140-08-9","CAS.Checksum":true,"DTXSID":"DTXSID0026258","Formula":"C6H12Cl3O3P","All.Compound.Names":"Tris(2-chloroethyl) phosphite|Dtxsid0026258","logHenry":-6.432,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.337,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.078,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.441,"logWSol.Reference":"EPA-CCD-OPERA","MP":-49.54,"MP.Reference":"EPA-CCD-OPERA","MW":269.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-08-9"}
{"Compound":"Benzyl acetate","CAS":"140-11-4","CAS.Checksum":true,"DTXSID":"DTXSID0020151","Formula":"C9H10O2","All.Compound.Names":"Benzyl acetate|Dtxsid0020151","logHenry":-6.401,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.963,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.869,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.688,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.97,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-11-4"}
{"Compound":"Benzyl cyanide","CAS":"140-29-4","CAS.Checksum":true,"DTXSID":"DTXSID2021492","Formula":"C8H7N","All.Compound.Names":"Benzyl cyanide|Dtxsid2021492","logHenry":-6.079,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.56,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.753,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.06,"logWSol.Reference":"EPA-CCD-OPERA","MP":-23.42,"MP.Reference":"EPA-CCD-OPERA","MW":117.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-29-4"}
{"Compound":"1-(2-aminoethyl)piperazine","CAS":"140-31-8","CAS.Checksum":true,"DTXSID":"DTXSID2021997","Formula":"C6H15N3","All.Compound.Names":"1-(2-aminoethyl)piperazine|Dtxsid2021997|140-31-8","logHenry":-8.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7002,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.287,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.017,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.08,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-31-8"}
{"Compound":"4-chlorophenylurea","CAS":"140-38-5","CAS.Checksum":true,"DTXSID":"DTXSID5041512","Formula":"C7H7ClN2O","All.Compound.Names":"4-chlorophenylurea|Dtxsid5041512|140-38-5","logHenry":-8.322,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.8,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.352,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.975,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.7,"MP.Reference":"EPA-CCD-OPERA","MW":170.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-38-5"}
{"Compound":"4-tolyl acetate","CAS":"140-39-6","CAS.Checksum":true,"DTXSID":"DTXSID0046567","Formula":"C9H10O2","All.Compound.Names":"4-tolyl acetate|Dtxsid0046567","logHenry":-7.255,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.108,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.713,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.109,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.7992,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-39-6"}
{"Compound":"Nithiamide","CAS":"140-40-9","CAS.Checksum":true,"DTXSID":"DTXSID6046391","Formula":"C5H5N3O3S","All.Compound.Names":"Nithiamide|Dtxsid6046391|140-40-9","logHenry":-8.769,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.299,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.919,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.073,"logWSol.Reference":"EPA-CCD-OPERA","MP":264.5,"MP.Reference":"EPA-CCD-OPERA","MW":187.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-40-9"}
{"Compound":"4'-(chloroacetyl)acetanilide","CAS":"140-49-8","CAS.Checksum":true,"DTXSID":"DTXSID4020294","Formula":"C10H10ClNO2","All.Compound.Names":"4'-(chloroacetyl)acetanilide|Dtxsid4020294|140-49-8","logHenry":-8.979,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.579,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.115,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.857,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.1,"MP.Reference":"EPA-CCD-OPERA","MW":211.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-49-8"}
{"Compound":"4-chlorophenylacetonitrile","CAS":"140-53-4","CAS.Checksum":true,"DTXSID":"DTXSID8051708","Formula":"C8H6ClN","All.Compound.Names":"4-chlorophenylacetonitrile|Dtxsid8051708","logHenry":-5.011,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.472,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.763,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.332,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.95,"MP.Reference":"EPA-CCD-OPERA","MW":151.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-53-4"}
{"Compound":"Fenaminosulf","CAS":"140-56-7","CAS.Checksum":true,"DTXSID":"DTXSID6040371","Formula":"C8H10N3NaO3S","All.Compound.Names":"Fenaminosulf|Dtxsid6040371|140-56-7","logHenry":-7.26,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1553,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.442,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.098,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.2,"MP.Reference":"EPA-CCD-OPERA","MW":251.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-56-7"}
{"Compound":"Aramite","CAS":"140-57-8","CAS.Checksum":true,"DTXSID":"DTXSID3020097","Formula":"C15H23ClO4S","All.Compound.Names":"Aramite|Dtxsid3020097","logHenry":-5.269,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.209,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.713,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.745,"logWSol.Reference":"EPA-CCD-OPERA","MP":-31.55,"MP.Reference":"EPA-CCD-OPERA","MW":334.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-57-8"}
{"Compound":"Pentamidine isethionate","CAS":"140-64-7","CAS.Checksum":true,"DTXSID":"DTXSID5023796","Formula":"C23H36N4O10S2","All.Compound.Names":"Pentamidine isethionate|Dtxsid5023796|140-64-7","logHenry":-11.2,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6748,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.729,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.259,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.3,"MP.Reference":"EPA-CCD-OPERA","MW":592.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.78","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-64-7"}
{"Compound":"Estragole","CAS":"140-67-0","CAS.Checksum":true,"DTXSID":"DTXSID0020575","Formula":"C10H12O","All.Compound.Names":"Estragole|Dtxsid0020575","logHenry":-5.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.021,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.959,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.919,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.1,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-67-0"}
{"Compound":"Cetylpyridinium bromide","CAS":"140-72-7","CAS.Checksum":true,"DTXSID":"DTXSID3033307","Formula":"C21H38BrN","All.Compound.Names":"Cetylpyridinium bromide|Dtxsid3033307|140-72-7","logHenry":-6.006,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.052,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.83,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.266,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.16,"MP.Reference":"EPA-CCD-OPERA","MW":384.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-72-7"}
{"Compound":"Dinitrosopiperazine","CAS":"140-79-4","CAS.Checksum":true,"DTXSID":"DTXSID0020527","Formula":"C4H8N4O2","All.Compound.Names":"Dinitrosopiperazine|Dtxsid0020527|140-79-4","logHenry":-5.657,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8487,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.602,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9921,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.6,"MP.Reference":"EPA-CCD-OPERA","MW":144.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-79-4"}
{"Compound":"Cyacetacide","CAS":"140-87-4","CAS.Checksum":true,"DTXSID":"DTXSID9046572","Formula":"C3H5N3O","All.Compound.Names":"Cyacetacide|Dtxsid9046572|140-87-4","logHenry":-8.296,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4221,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.403,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3836,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.5,"MP.Reference":"EPA-CCD-OPERA","MW":99.09,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-87-4"}
{"Compound":"Ethyl acrylate","CAS":"140-88-5","CAS.Checksum":true,"DTXSID":"DTXSID4020583","Formula":"C5H8O2","All.Compound.Names":"Ethyl acrylate|Dtxsid4020583","logHenry":-3.702,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.319,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.807,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7817,"logWSol.Reference":"EPA-CCD-OPERA","MP":-75.44,"MP.Reference":"EPA-CCD-OPERA","MW":100.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-88-5"}
{"Compound":"Potassium ethyl xanthate","CAS":"140-89-6","CAS.Checksum":true,"DTXSID":"DTXSID6042315","Formula":"C3H5KOS2","All.Compound.Names":"Potassium ethyl xanthate|Dtxsid6042315|140-89-6","logHenry":-7.881,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.449,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.349,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.84,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.1,"MP.Reference":"EPA-CCD-OPERA","MW":160.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-89-6"}
{"Compound":"Sodium o-ethyl carbonodithioate","CAS":"140-90-9","CAS.Checksum":true,"DTXSID":"DTXSID1044801","Formula":"C3H5NaOS2","All.Compound.Names":"Sodium o-ethyl carbonodithioate|Sex|Dtxsid1044801|140-90-9","logHenry":-7.881,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.628,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.528,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.84,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.2,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-90-9"}
{"Compound":"Proxan-sodium","CAS":"140-93-2","CAS.Checksum":true,"DTXSID":"DTXSID8027084","Formula":"C4H7NaOS2","All.Compound.Names":"Proxan-sodium|Dtxsid8027084|140-93-2","logHenry":-7.849,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.024,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.501,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.788,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.85,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-93-2"}
{"Compound":"Dimethylolurea","CAS":"140-95-4","CAS.Checksum":true,"DTXSID":"DTXSID6025141","Formula":"C3H8N2O3","All.Compound.Names":"Dimethylolurea|1,3-dimethylolurea|Dtxsid6025141|140-95-4","logHenry":-9.437,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.186,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.098,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.471,"logWSol.Reference":"EPA-CCD-OPERA","MP":126,"MP.Reference":"EPA-CCD-OPERA","MW":120.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-95-4"}
{"Compound":"Nystatin","CAS":"1400-61-9","CAS.Checksum":true,"DTXSID":"DTXSID4040688","All.Compound.Names":"Nystatin","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1400-61-9"}
{"Compound":"Butetamate","CAS":"14007-64-8","CAS.Checksum":true,"DTXSID":"DTXSID8045640","Formula":"C16H25NO2","All.Compound.Names":"Butetamate|Dtxsid8045640|14007-64-8","logHenry":-7.729,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.816,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.527,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.996,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.86,"MP.Reference":"EPA-CCD-OPERA","MW":263.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14007-64-8"}
{"Compound":"Bisoxatin acetate","CAS":"14008-48-1","CAS.Checksum":true,"DTXSID":"DTXSID1048839","Formula":"C24H19NO6","All.Compound.Names":"Bisoxatin acetate|Dtxsid1048839|14008-48-1","logHenry":-9.092,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.493,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.755,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.587,"logWSol.Reference":"EPA-CCD-OPERA","MP":190,"MP.Reference":"EPA-CCD-OPERA","MW":417.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14008-48-1"}
{"Compound":"Iron(iii) acetylacetonate","CAS":"14024-18-1","CAS.Checksum":true,"DTXSID":"DTXSID3051707","Formula":"C15H21FeO6","All.Compound.Names":"Iron(iii) acetylacetonate","logHenry":-5.43,"logHenry.Reference":"OPERA29","logP":0.4,"logP.Reference":"OPERA29","logWSol":0.21,"logWSol.Reference":"OPERA29","MP":-26,"MP.Reference":"OPERA29","MW":353.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14024-18-1"}
{"Compound":"Amoxapine","CAS":"14028-44-5","CAS.Checksum":true,"DTXSID":"DTXSID7022598","Formula":"C17H16ClN3O","All.Compound.Names":"Amoxapine|14028-44-5|Dtxsid7022598","logHenry":-9.486,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.602,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.436,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.007,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.4,"MP.Reference":"EPA-CCD-OPERA","MW":313.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"12.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.36,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"14028-44-5"}
{"Compound":"Tyrothricin","CAS":"1404-88-2","CAS.Checksum":true,"DTXSID":"DTXSID4045846","All.Compound.Names":"Tyrothricin","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1404-88-2"}
{"Compound":"Vancomycin hydrochloride","CAS":"1404-93-9","CAS.Checksum":true,"DTXSID":"DTXSID3045354","All.Compound.Names":"Vancomycin hydrochloride","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1404-93-9"}
{"Compound":"Olopatadine hydrochloride","CAS":"140462-76-6","CAS.Checksum":true,"DTXSID":"DTXSID0046486","Formula":"C21H24ClNO3","All.Compound.Names":"Olopatadine hydrochloride|Dtxsid0046486|140462-76-6","logHenry":-8.771,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.413,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.079,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.144,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.3,"MP.Reference":"EPA-CCD-OPERA","MW":373.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140462-76-6"}
{"Compound":"Neomycin sulfate","CAS":"1405-10-3","CAS.Checksum":true,"DTXSID":"DTXSID4041074","All.Compound.Names":"Neomycin sulfate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1405-10-3"}
{"Compound":"Polymycin b sulfate","CAS":"1405-20-5","CAS.Checksum":true,"DTXSID":"DTXSID5045839","All.Compound.Names":"Polymycin b sulfate|Polymixin b sulfate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1405-20-5"}
{"Compound":"Gentamicin sulfate","CAS":"1405-41-0","CAS.Checksum":true,"DTXSID":"DTXSID0037235","All.Compound.Names":"Gentamicin sulfate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1405-41-0"}
{"Compound":"Bacitracin","CAS":"1405-87-4","CAS.Checksum":true,"DTXSID":"DTXSID8045355","All.Compound.Names":"Bacitracin","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1405-87-4"}
{"Compound":"Benzetimide","CAS":"14051-33-3","CAS.Checksum":true,"DTXSID":"DTXSID2046173","Formula":"C23H26N2O2","All.Compound.Names":"Benzetimide|Dtxsid2046173|14051-33-3","logHenry":-9.898,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.549,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.736,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.808,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.3,"MP.Reference":"EPA-CCD-OPERA","MW":362.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14051-33-3"}
{"Compound":"Felbinac ethyl","CAS":"14062-23-8","CAS.Checksum":true,"DTXSID":"DTXSID3046160","Formula":"C16H16O2","All.Compound.Names":"Felbinac ethyl|Dtxsid3046160","logHenry":-7.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.573,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.945,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.856,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.35,"MP.Reference":"EPA-CCD-OPERA","MW":240.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14062-23-8"}
{"Compound":"(2s,5r)-5-methyl-2-(propan-2-yl)cyclohexanone","CAS":"14073-97-3","CAS.Checksum":true,"DTXSID":"DTXSID3044384","Formula":"C10H18O","All.Compound.Names":"(2s,5r)-5-methyl-2-(propan-2-yl)cyclohexanone|(2s,5r)-2-isopropyl-5-methylcyclohexan-1-one|Dtxsid3044384","logHenry":-3.951,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.052,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.799,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.447,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.483,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14073-97-3"}
{"Compound":"Potassium tetrafluoroborate","CAS":"14075-53-7","CAS.Checksum":true,"DTXSID":"DTXSID6037015","Formula":"BF4K","All.Compound.Names":"Potassium tetrafluoroborate","MW":125.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14075-53-7"}
{"Compound":"Iprovalicarb","CAS":"140923-17-7","CAS.Checksum":true,"DTXSID":"DTXSID0047662","Formula":"C18H28N2O3","All.Compound.Names":"Iprovalicarb|Dtxsid0047662|140923-17-7","logHenry":-9.555,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.637,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.679,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.258,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.7,"MP.Reference":"EPA-CCD-OPERA","MW":320.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140923-17-7"}
{"Compound":"Alachlor esa, sodium salt","CAS":"140939-15-7","CAS.Checksum":true,"DTXSID":"DTXSID0052837","Formula":"C14H20NNaO5S","All.Compound.Names":"Alachlor esa, sodium salt|Dtxsid0052837|140939-15-7","logHenry":-9.25,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3019,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.41,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.168,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.2,"MP.Reference":"EPA-CCD-OPERA","MW":337.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140939-15-7"}
{"Compound":"Alachlor sec-oxanilic acid sodium salt","CAS":"140939-17-9","CAS.Checksum":true,"DTXSID":"DTXSID5052838","Formula":"C12H14NNaO3","All.Compound.Names":"Alachlor sec-oxanilic acid sodium salt|Dtxsid5052838|140939-17-9","logHenry":-9.218,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3226,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.698,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.288,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.9,"MP.Reference":"EPA-CCD-OPERA","MW":243.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140939-17-9"}
{"Compound":"Dichloro(ethylenediamine)platinum(ii)","CAS":"14096-51-6","CAS.Checksum":true,"DTXSID":"DTXSID9048988","Formula":"C2H8Cl2N2Pt","All.Compound.Names":"Dichloro(ethylenediamine)platinum(ii)","MW":326.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14096-51-6"}
{"Compound":"Dibutyl butanedioate","CAS":"141-03-7","CAS.Checksum":true,"DTXSID":"DTXSID7021998","Formula":"C12H22O4","All.Compound.Names":"Dibutyl butanedioate|Dtxsid7021998","logHenry":-6.928,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.438,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.467,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.998,"logWSol.Reference":"EPA-CCD-OPERA","MP":-28.4,"MP.Reference":"EPA-CCD-OPERA","MW":230.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-03-7"}
{"Compound":"Diethyl maleate","CAS":"141-05-9","CAS.Checksum":true,"DTXSID":"DTXSID8020464","Formula":"C8H12O4","All.Compound.Names":"Diethyl maleate|Dtxsid8020464","logHenry":-5.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8195,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.761,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.089,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.545,"MP.Reference":"EPA-CCD-OPERA","MW":172.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-05-9"}
{"Compound":"Cis-3,7-dimethyl-2,6-octadien-1-yl acetate","CAS":"141-12-8","CAS.Checksum":true,"DTXSID":"DTXSID2047068","Formula":"C12H20O2","All.Compound.Names":"Cis-3,7-dimethyl-2,6-octadien-1-yl acetate|Dtxsid2047068","logHenry":-4.168,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.041,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.735,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.549,"logWSol.Reference":"EPA-CCD-OPERA","MP":-53.08,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-12-8"}
{"Compound":"Citronellyl propionate","CAS":"141-14-0","CAS.Checksum":true,"DTXSID":"DTXSID8047187","Formula":"C13H24O2","All.Compound.Names":"Citronellyl propionate|Dtxsid8047187","logHenry":-4.174,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.734,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.6,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.134,"logWSol.Reference":"EPA-CCD-OPERA","MP":-36.44,"MP.Reference":"EPA-CCD-OPERA","MW":212.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-14-0"}
{"Compound":"Citronellyl butyrate","CAS":"141-16-2","CAS.Checksum":true,"DTXSID":"DTXSID5047405","Formula":"C14H26O2","All.Compound.Names":"Citronellyl butyrate|Dtxsid5047405","logHenry":-4.232,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.084,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.792,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.945,"logWSol.Reference":"EPA-CCD-OPERA","MP":-30.49,"MP.Reference":"EPA-CCD-OPERA","MW":226.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-16-2"}
{"Compound":"Bis[2-(2-butoxyethoxy)ethyl] hexandioate","CAS":"141-17-3","CAS.Checksum":true,"DTXSID":"DTXSID3027085","Formula":"C22H42O8","All.Compound.Names":"Bis[2-(2-butoxyethoxy)ethyl] hexandioate|Bis[2-(2-butoxyethoxy)ethyl] adipate|Dtxsid3027085","logHenry":-7.241,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.151,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.561,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.885,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.95,"MP.Reference":"EPA-CCD-OPERA","MW":434.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-17-3"}
{"Compound":"Bis(2-butoxyethyl) decanedioate","CAS":"141-19-5","CAS.Checksum":true,"DTXSID":"DTXSID6044802","Formula":"C22H42O6","All.Compound.Names":"Bis(2-butoxyethyl) decanedioate|Dtxsid6044802","logHenry":-6.53,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.659,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.034,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.359,"logWSol.Reference":"EPA-CCD-OPERA","MP":-20.44,"MP.Reference":"EPA-CCD-OPERA","MW":402.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-19-5"}
{"Compound":"9-octadecenoic acid, 12-hydroxy-, (9z,12r)-","CAS":"141-22-0","CAS.Checksum":true,"DTXSID":"DTXSID0041567","Formula":"C18H34O3","All.Compound.Names":"9-octadecenoic acid, 12-hydroxy-, (9z,12r)-|(9z,12r)-12-hydroxyoctadec-9-enoic acid|Dtxsid0041567|141-22-0","logHenry":-8.204,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.022,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.147,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.935,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.641,"MP.Reference":"EPA-CCD-OPERA","MW":298.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-22-0"}
{"Compound":"Methyl 12-hydroxyoctadecanoate","CAS":"141-23-1","CAS.Checksum":true,"DTXSID":"DTXSID8027086","Formula":"C19H38O3","All.Compound.Names":"Methyl 12-hydroxyoctadecanoate|Dtxsid8027086|141-23-1","logHenry":-7.432,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.527,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.688,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.992,"logWSol.Reference":"EPA-CCD-OPERA","MP":-23.43,"MP.Reference":"EPA-CCD-OPERA","MW":314.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-23-1"}
{"Compound":"Methyl ricinoleate","CAS":"141-24-2","CAS.Checksum":true,"DTXSID":"DTXSID2029169","Formula":"C19H36O3","All.Compound.Names":"Methyl ricinoleate|Dtxsid2029169|141-24-2","logHenry":-7.499,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.591,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.518,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.938,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.66,"MP.Reference":"EPA-CCD-OPERA","MW":312.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-24-2"}
{"Compound":"Rhodinol","CAS":"141-25-3","CAS.Checksum":true,"DTXSID":"DTXSID2047193","Formula":"C10H20O","All.Compound.Names":"Rhodinol|Dtxsid2047193|141-25-3","logHenry":-5.363,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.706,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.482,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.562,"logWSol.Reference":"EPA-CCD-OPERA","MP":10.3,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-25-3"}
{"Compound":"Butyl acrylate","CAS":"141-32-2","CAS.Checksum":true,"DTXSID":"DTXSID6024676","Formula":"C7H12O2","All.Compound.Names":"Butyl acrylate|Dtxsid6024676","logHenry":-3.417,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.36,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.13,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.808,"logWSol.Reference":"EPA-CCD-OPERA","MP":-66.9,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-32-2"}
{"Compound":"Ethanolamine","CAS":"141-43-5","CAS.Checksum":true,"DTXSID":"DTXSID6022000","Formula":"C2H7NO","All.Compound.Names":"Ethanolamine|Dtxsid6022000|141-43-5","logHenry":-7.225,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.312,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.029,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.214,"logWSol.Reference":"EPA-CCD-OPERA","MP":10.5,"MP.Reference":"EPA-CCD-OPERA","MW":61.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-43-5"}
{"Compound":"Butyryl chloride","CAS":"141-75-3","CAS.Checksum":true,"DTXSID":"DTXSID5024710","Formula":"C4H7ClO","All.Compound.Names":"Butyryl chloride|Dtxsid5024710","logHenry":-4.858,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.569,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.117,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.967,"logWSol.Reference":"EPA-CCD-OPERA","MP":-89,"MP.Reference":"EPA-CCD-OPERA","MW":106.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-75-3"}
{"Compound":"Ethyl acetate","CAS":"141-78-6","CAS.Checksum":true,"DTXSID":"DTXSID1022001","Formula":"C4H8O2","All.Compound.Names":"Ethyl acetate|Dtxsid1022001","logHenry":-3.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7315,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.967,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.04009,"logWSol.Reference":"EPA-CCD-OPERA","MP":-83.9,"MP.Reference":"EPA-CCD-OPERA","MW":88.11,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-78-6"}
{"Compound":"4-methylpent-3-en-2-one","CAS":"141-79-7","CAS.Checksum":true,"DTXSID":"DTXSID1029170","Formula":"C6H10O","All.Compound.Names":"4-methylpent-3-en-2-one|Dtxsid1029170","logHenry":-4.687,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.064,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.299,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5324,"logWSol.Reference":"EPA-CCD-OPERA","MP":-59.16,"MP.Reference":"EPA-CCD-OPERA","MW":98.14,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-79-7"}
{"Compound":"Propanedioic acid","CAS":"141-82-2","CAS.Checksum":true,"DTXSID":"DTXSID7021659","Formula":"C3H4O4","All.Compound.Names":"Propanedioic acid|Dtxsid7021659|141-82-2","logHenry":-8.248,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8112,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.883,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8648,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.5,"MP.Reference":"EPA-CCD-OPERA","MW":104.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-82-2"}
{"Compound":"2,6-diaminopyridine","CAS":"141-86-6","CAS.Checksum":true,"DTXSID":"DTXSID0040127","Formula":"C5H7N3","All.Compound.Names":"2,6-diaminopyridine|Dtxsid0040127|141-86-6","logHenry":-7.341,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6814,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.087,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3856,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.4,"MP.Reference":"EPA-CCD-OPERA","MW":109.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-86-6"}
{"Compound":"Thiouracil","CAS":"141-90-2","CAS.Checksum":true,"DTXSID":"DTXSID4021347","Formula":"C4H4N2OS","All.Compound.Names":"Thiouracil|Dtxsid4021347|141-90-2","logHenry":-8.144,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2804,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.332,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.259,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.1,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-90-2"}
{"Compound":"2,6-dimethyl morpholine","CAS":"141-91-3","CAS.Checksum":true,"DTXSID":"DTXSID6022002","Formula":"C6H13NO","All.Compound.Names":"2,6-dimethyl morpholine|Dtxsid6022002|141-91-3","logHenry":-6.107,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.042,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.749,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.578,"logWSol.Reference":"EPA-CCD-OPERA","MP":-87.8,"MP.Reference":"EPA-CCD-OPERA","MW":115.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-91-3"}
{"Compound":"Hydroxycitronellal dimethyl acetal","CAS":"141-92-4","CAS.Checksum":true,"DTXSID":"DTXSID4047547","Formula":"C12H26O3","All.Compound.Names":"Hydroxycitronellal dimethyl acetal|Dtxsid4047547|141-92-4","logHenry":-4.884,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.617,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.849,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.096,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.8,"MP.Reference":"EPA-CCD-OPERA","MW":218.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-92-4"}
{"Compound":"1,3-diethylbenzene","CAS":"141-93-5","CAS.Checksum":true,"DTXSID":"DTXSID1022003","Formula":"C10H14","All.Compound.Names":"1,3-diethylbenzene|Dtxsid1022003","logHenry":-2.094,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.567,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.01877,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.721,"logWSol.Reference":"EPA-CCD-OPERA","MP":-60.15,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-93-5"}
{"Compound":"Hexetidine","CAS":"141-94-6","CAS.Checksum":true,"DTXSID":"DTXSID1045297","Formula":"C21H45N3","All.Compound.Names":"Hexetidine|Dtxsid1045297|141-94-6","logHenry":-6.319,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.698,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.128,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.932,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.94,"MP.Reference":"EPA-CCD-OPERA","MW":339.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-94-6"}
{"Compound":"Ethyl acetoacetate","CAS":"141-97-9","CAS.Checksum":true,"DTXSID":"DTXSID2027092","Formula":"C6H10O3","All.Compound.Names":"Ethyl acetoacetate|Dtxsid2027092","logHenry":-6.475,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.247,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.492,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.186,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.04,"MP.Reference":"EPA-CCD-OPERA","MW":130.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-97-9"}
{"Compound":"Darglitazone","CAS":"141200-24-0","CAS.Checksum":true,"DTXSID":"DTXSID3057644","Formula":"C23H20N2O4S","All.Compound.Names":"Darglitazone|Dtxsid3057644|141200-24-0","logHenry":-8.196,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.313,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.88,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.217,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.2,"MP.Reference":"EPA-CCD-OPERA","MW":420.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141200-24-0"}
{"Compound":"Trimethidinium methyl sulfate","CAS":"14149-43-0","CAS.Checksum":true,"DTXSID":"DTXSID8046115","Formula":"C19H42N2O8S2","All.Compound.Names":"Trimethidinium methyl sulfate|Dtxsid8046115|14149-43-0","logHenry":-2.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6311,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.624,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.153,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.7,"MP.Reference":"EPA-CCD-OPERA","MW":490.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14149-43-0"}
{"Compound":"Aloin a","CAS":"1415-73-2","CAS.Checksum":true,"DTXSID":"DTXSID0045967","Formula":"C21H22O9","All.Compound.Names":"Aloin a|Dtxsid0045967|1415-73-2","logHenry":-10.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.309,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.245,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.703,"logWSol.Reference":"EPA-CCD-OPERA","MP":208.4,"MP.Reference":"EPA-CCD-OPERA","MW":418.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1415-73-2"}
{"Compound":"Tiletamine hydrochloride","CAS":"14176-50-2","CAS.Checksum":true,"DTXSID":"DTXSID6045539","Formula":"C12H18ClNOS","All.Compound.Names":"Tiletamine hydrochloride|Dtxsid6045539|14176-50-2","logHenry":-8.101,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4203,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.036,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.43,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.2,"MP.Reference":"EPA-CCD-OPERA","MW":259.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14176-50-2"}
{"Compound":"Aluminum hydroxide acetate (1:1:2)","CAS":"142-03-0","CAS.Checksum":true,"DTXSID":"DTXSID7044552","Formula":"C4H7AlO5","All.Compound.Names":"Aluminum hydroxide acetate (1:1:2)","MW":162.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-03-0"}
{"Compound":"2-pyridone","CAS":"142-08-5","CAS.Checksum":true,"DTXSID":"DTXSID2051716","Formula":"C5H5NO","All.Compound.Names":"2-pyridone|2(1h)-pyridinone|Dtxsid2051716|142-08-5","logHenry":-7.534,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.578,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.593,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.016,"logWSol.Reference":"EPA-CCD-OPERA","MP":107.7,"MP.Reference":"EPA-CCD-OPERA","MW":95.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.13","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-08-5"}
{"Compound":"Hexyl methacrylate","CAS":"142-09-6","CAS.Checksum":true,"DTXSID":"DTXSID4025406","Formula":"C10H18O2","All.Compound.Names":"Hexyl methacrylate|N-hexyl methacrylate|Dtxsid4025406","logHenry":-3.595,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.576,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.435,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.226,"logWSol.Reference":"EPA-CCD-OPERA","MP":-63.49,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-09-6"}
{"Compound":"Bis(2-ethylhexyl) maleate","CAS":"142-16-5","CAS.Checksum":true,"DTXSID":"DTXSID2027094","Formula":"C20H36O4","All.Compound.Names":"Bis(2-ethylhexyl) maleate|Dtxsid2027094","logHenry":-6.646,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.178,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.033,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.538,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.19,"MP.Reference":"EPA-CCD-OPERA","MW":340.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-16-5"}
{"Compound":"1-monolaurin","CAS":"142-18-7","CAS.Checksum":true,"DTXSID":"DTXSID5041275","Formula":"C15H30O4","All.Compound.Names":"1-monolaurin|Dtxsid5041275|142-18-7","logHenry":-8.075,"logHenry.Reference":"EPA-CCD-OPERA","logP":4,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.985,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.902,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.18,"MP.Reference":"EPA-CCD-OPERA","MW":274.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-18-7"}
{"Compound":"Prop-2-en-1-yl heptanoate","CAS":"142-19-8","CAS.Checksum":true,"DTXSID":"DTXSID3044754","Formula":"C10H18O2","All.Compound.Names":"Prop-2-en-1-yl heptanoate|Dtxsid3044754","logHenry":-3.543,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.573,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.435,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.239,"logWSol.Reference":"EPA-CCD-OPERA","MP":-56.3,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-19-8"}
{"Compound":"N-(2-hydroxyethyl)acetamide","CAS":"142-26-7","CAS.Checksum":true,"DTXSID":"DTXSID6044804","Formula":"C4H9NO2","All.Compound.Names":"N-(2-hydroxyethyl)acetamide|Dtxsid6044804","logHenry":-7.725,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.15,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.589,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9867,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.43,"MP.Reference":"EPA-CCD-OPERA","MW":103.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-26-7"}
{"Compound":"1,3-dichloropropane","CAS":"142-28-9","CAS.Checksum":true,"DTXSID":"DTXSID6022004","Formula":"C3H6Cl2","All.Compound.Names":"1,3-dichloropropane|Dtxsid6022004","logHenry":-3.009,"logHenry.Reference":"EPA-CCD-OPERA","logP":2,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.179,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.618,"logWSol.Reference":"EPA-CCD-OPERA","MP":-99.13,"MP.Reference":"EPA-CCD-OPERA","MW":113,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-28-9"}
{"Compound":"Cyclopentene","CAS":"142-29-0","CAS.Checksum":true,"DTXSID":"DTXSID6029171","Formula":"C5H8","All.Compound.Names":"Cyclopentene|Dtxsid6029171","logHenry":-1.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.634,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1592,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.009,"logWSol.Reference":"EPA-CCD-OPERA","MP":-134.7,"MP.Reference":"EPA-CCD-OPERA","MW":68.12,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-29-0"}
{"Compound":"2,5-dimethyl-3-hexyne-2,5-diol","CAS":"142-30-3","CAS.Checksum":true,"DTXSID":"DTXSID2027096","Formula":"C8H14O2","All.Compound.Names":"2,5-dimethyl-3-hexyne-2,5-diol|Dtxsid2027096|142-30-3","logHenry":-6.937,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9856,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.363,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.04218,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.7,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-30-3"}
{"Compound":"Sodium octyl sulfate","CAS":"142-31-4","CAS.Checksum":true,"DTXSID":"DTXSID9036226","Formula":"C8H17NaO4S","All.Compound.Names":"Sodium octyl sulfate|Dtxsid9036226|142-31-4","logHenry":-7.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.242,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.249,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.046,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.9,"MP.Reference":"EPA-CCD-OPERA","MW":232.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.76","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-31-4"}
{"Compound":"2,5-dithiobiurea","CAS":"142-46-1","CAS.Checksum":true,"DTXSID":"DTXSID8020545","Formula":"C2H6N4S2","All.Compound.Names":"2,5-dithiobiurea|Dtxsid8020545|142-46-1","logHenry":-8.439,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1604,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.336,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.793,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.3,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.45","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-46-1"}
{"Compound":"Nabam-sodium","CAS":"142-59-6","CAS.Checksum":true,"DTXSID":"DTXSID5020603","Formula":"C4H6N2Na2S4","All.Compound.Names":"Nabam-sodium|Dtxsid5020603|142-59-6","logHenry":-9.835,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.06154,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.878,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1121,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.2,"MP.Reference":"EPA-CCD-OPERA","MW":256.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-59-6"}
{"Compound":"Hexanoic acid","CAS":"142-62-1","CAS.Checksum":true,"DTXSID":"DTXSID7021607","Formula":"C6H12O2","All.Compound.Names":"Hexanoic acid|Dtxsid7021607|142-62-1","logHenry":-6.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.919,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.977,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.054,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.384,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-62-1"}
{"Compound":"Piperazine dihydrochloride","CAS":"142-64-3","CAS.Checksum":true,"DTXSID":"DTXSID4047096","Formula":"C4H12Cl2N2","All.Compound.Names":"Piperazine dihydrochloride|Dtxsid4047096|142-64-3","logHenry":-6.94,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6305,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.595,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6362,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.66,"MP.Reference":"EPA-CCD-OPERA","MW":159,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-64-3"}
{"Compound":"Magnesium acetate","CAS":"142-72-3","CAS.Checksum":true,"DTXSID":"DTXSID7027097","Formula":"C4H6MgO4","All.Compound.Names":"Magnesium acetate|Dtxsid7027097|142-72-3","logHenry":-6.998,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.265,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.495,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":276.5,"MP.Reference":"EPA-CCD-OPERA","MW":142.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-72-3"}
{"Compound":"Glycine, n-(carboxymethyl)-","CAS":"142-73-4","CAS.Checksum":true,"DTXSID":"DTXSID2027098","Formula":"C4H7NO4","All.Compound.Names":"Glycine, n-(carboxymethyl)-|Iminodiacetic acid|Dtxsid2027098|142-73-4","logHenry":-9.283,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.015,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.272,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1218,"logWSol.Reference":"EPA-CCD-OPERA","MP":247.4,"MP.Reference":"EPA-CCD-OPERA","MW":133.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-73-4"}
{"Compound":"9-octadecenoic acid (9z)-, butyl ester","CAS":"142-77-8","CAS.Checksum":true,"DTXSID":"DTXSID7027099","Formula":"C22H42O2","All.Compound.Names":"9-octadecenoic acid (9z)-, butyl ester|Butyl cis-9-octadecenoate|Dtxsid7027099","logHenry":-6.638,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.077,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.54,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.841,"logWSol.Reference":"EPA-CCD-OPERA","MP":-26.06,"MP.Reference":"EPA-CCD-OPERA","MW":338.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-77-8"}
{"Compound":"Heptane","CAS":"142-82-5","CAS.Checksum":true,"DTXSID":"DTXSID6024127","Formula":"C7H16","All.Compound.Names":"Heptane|Dtxsid6024127","logHenry":-0.403,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.659,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.587,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.489,"logWSol.Reference":"EPA-CCD-OPERA","MP":-90.63,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-82-5"}
{"Compound":"Dipropylamine","CAS":"142-84-7","CAS.Checksum":true,"DTXSID":"DTXSID2025185","Formula":"C6H15N","All.Compound.Names":"Dipropylamine|Dtxsid2025185|142-84-7","logHenry":-4.295,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.67,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.95,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3821,"logWSol.Reference":"EPA-CCD-OPERA","MP":-63.14,"MP.Reference":"EPA-CCD-OPERA","MW":101.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-84-7"}
{"Compound":"Sodium decyl sulfate","CAS":"142-87-0","CAS.Checksum":true,"DTXSID":"DTXSID4036229","Formula":"C10H21NaO4S","All.Compound.Names":"Sodium decyl sulfate|Dtxsid4036229|142-87-0","logHenry":-8.458,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5556,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.569,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.829,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.6,"MP.Reference":"EPA-CCD-OPERA","MW":260.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-87-0"}
{"Compound":"Dodecyl 2-methylacrylate","CAS":"142-90-5","CAS.Checksum":true,"DTXSID":"DTXSID4027103","Formula":"C16H30O2","All.Compound.Names":"Dodecyl 2-methylacrylate|Dtxsid4027103","logHenry":-5.979,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.569,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.846,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.793,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.312,"MP.Reference":"EPA-CCD-OPERA","MW":254.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-90-5"}
{"Compound":"Hexadecanoic acid, 1-methylethyl ester","CAS":"142-91-6","CAS.Checksum":true,"DTXSID":"DTXSID9027104","Formula":"C19H38O2","All.Compound.Names":"Hexadecanoic acid, 1-methylethyl ester|Dtxsid9027104","logHenry":-6.602,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.075,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5946,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.479,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.74,"MP.Reference":"EPA-CCD-OPERA","MW":298.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-91-6"}
{"Compound":"Hexyl acetate","CAS":"142-92-7","CAS.Checksum":true,"DTXSID":"DTXSID6022006","Formula":"C8H16O2","All.Compound.Names":"Hexyl acetate|Dtxsid6022006","logHenry":-3.276,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.958,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.624,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.447,"logWSol.Reference":"EPA-CCD-OPERA","MP":-78.88,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-92-7"}
{"Compound":"Butyl ether","CAS":"142-96-1","CAS.Checksum":true,"DTXSID":"DTXSID1022007","Formula":"C8H18O","All.Compound.Names":"Butyl ether|Dtxsid1022007","logHenry":-2.224,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.213,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6902,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.279,"logWSol.Reference":"EPA-CCD-OPERA","MP":-94.96,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-96-1"}
{"Compound":"Dinoterb","CAS":"1420-07-1","CAS.Checksum":true,"DTXSID":"DTXSID7041883","Formula":"C10H12N2O5","All.Compound.Names":"Dinoterb|Dtxsid7041883|1420-07-1","logHenry":-7.168,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.415,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.237,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.714,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.9,"MP.Reference":"EPA-CCD-OPERA","MW":240.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1420-07-1"}
{"Compound":"Methyl 3-aminobut-2-enoate","CAS":"14205-39-1","CAS.Checksum":true,"DTXSID":"DTXSID7051715","Formula":"C5H9NO2","All.Compound.Names":"Methyl 3-aminobut-2-enoate|Methyl 3-aminocrotonate|Dtxsid7051715|14205-39-1","logHenry":-7.19,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5102,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.557,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.118,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.2544,"MP.Reference":"EPA-CCD-OPERA","MW":115.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14205-39-1"}
{"Compound":"Propanidid","CAS":"1421-14-3","CAS.Checksum":true,"DTXSID":"DTXSID7048825","Formula":"C18H27NO5","All.Compound.Names":"Propanidid|Dtxsid7048825|1421-14-3","logHenry":-8.677,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.452,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.362,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.113,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.84,"MP.Reference":"EPA-CCD-OPERA","MW":337.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1421-14-3"}
{"Compound":"2',4',5'-trihydroxybutyrophenone","CAS":"1421-63-2","CAS.Checksum":true,"DTXSID":"DTXSID2026232","Formula":"C10H12O4","All.Compound.Names":"2',4',5'-trihydroxybutyrophenone|Dtxsid2026232|1421-63-2","logHenry":-8.831,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.702,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.619,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.171,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.5,"MP.Reference":"EPA-CCD-OPERA","MW":196.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1421-63-2"}
{"Compound":"Methyl l-dopa hydrochloride","CAS":"1421-65-4","CAS.Checksum":true,"DTXSID":"DTXSID4045763","Formula":"C10H14ClNO4","All.Compound.Names":"Methyl l-dopa hydrochloride|L-3,4-dihydroxyphenylalanine methyl ester hydrochloride|Dtxsid4045763|1421-65-4","logHenry":-8.906,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.953,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.28,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.801,"logWSol.Reference":"EPA-CCD-OPERA","MP":192,"MP.Reference":"EPA-CCD-OPERA","MW":247.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.63","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1421-65-4"}
{"Compound":"Codeine hydrochloride","CAS":"1422-07-7","CAS.Checksum":true,"DTXSID":"DTXSID7048904","Formula":"C18H22ClNO3","All.Compound.Names":"Codeine hydrochloride|Dtxsid7048904|1422-07-7","logHenry":-8.085,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.615,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.7,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.524,"logWSol.Reference":"EPA-CCD-OPERA","MP":279.9,"MP.Reference":"EPA-CCD-OPERA","MW":335.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1422-07-7"}
{"Compound":"Entecavir","CAS":"142217-69-4","CAS.Checksum":true,"DTXSID":"DTXSID4046446","Formula":"C12H15N5O3","All.Compound.Names":"Entecavir|142217-69-4|Dtxsid4046446","logHenry":-9.442,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6041,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.987,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.787,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.8,"MP.Reference":"EPA-CCD-OPERA","MW":277.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.27","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"142217-69-4"}
{"Compound":"Prothionamide","CAS":"14222-60-7","CAS.Checksum":true,"DTXSID":"DTXSID7045940","Formula":"C9H12N2S","All.Compound.Names":"Prothionamide|14222-60-7|Dtxsid7045940","logHenry":-8.477,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.066,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.691,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.147,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.7,"MP.Reference":"EPA-CCD-OPERA","MW":180.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"14222-60-7"}
{"Compound":"2,2'-[cyclohexane-1,4-diylbis(methanediyloxymethanediyl)]dioxirane","CAS":"14228-73-0","CAS.Checksum":true,"DTXSID":"DTXSID1044805","Formula":"C14H24O4","All.Compound.Names":"2,2'-[cyclohexane-1,4-diylbis(methanediyloxymethanediyl)]dioxirane|Dtxsid1044805","logHenry":-6.035,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.877,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.535,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.523,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.69,"MP.Reference":"EPA-CCD-OPERA","MW":256.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14228-73-0"}
{"Compound":"Adefovir dipivoxil","CAS":"142340-99-6","CAS.Checksum":true,"DTXSID":"DTXSID5046487","Formula":"C20H32N5O8P","All.Compound.Names":"Adefovir dipivoxil|142340-99-6|Dtxsid5046487","logHenry":-9.637,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.746,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.571,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.315,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.6,"MP.Reference":"EPA-CCD-OPERA","MW":501.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6.3","Human.Clint.Reference":"Dawson 2021","Human.Foral":0.12,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"142340-99-6"}
{"Compound":"Cloforex","CAS":"14261-75-7","CAS.Checksum":true,"DTXSID":"DTXSID7048794","Formula":"C13H18ClNO2","All.Compound.Names":"Cloforex|Dtxsid7048794|14261-75-7","logHenry":-7.969,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.1,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.683,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.609,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.76,"MP.Reference":"EPA-CCD-OPERA","MW":255.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14261-75-7"}
{"Compound":"1-methyl-1-propylpiperidinium hexafluorophosphate","CAS":"1426821-81-9","CAS.Checksum":true,"DTXSID":"DTXSID3049386","Formula":"C9H20F6NP","All.Compound.Names":"1-methyl-1-propylpiperidinium hexafluorophosphate|Dtxsid3049386|1426821-81-9","logHenry":-1.159,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7185,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.437,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8193,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.5,"MP.Reference":"EPA-CCD-OPERA","MW":287.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1426821-81-9"}
{"Compound":"Ilomastat","CAS":"142880-36-2","CAS.Checksum":true,"DTXSID":"DTXSID0046353","Formula":"C20H28N4O4","All.Compound.Names":"Ilomastat|Dtxsid0046353|142880-36-2","logHenry":-10.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3628,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.137,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.452,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.1,"MP.Reference":"EPA-CCD-OPERA","MW":388.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142880-36-2"}
{"Compound":"Xipamide","CAS":"14293-44-8","CAS.Checksum":true,"DTXSID":"DTXSID5023744","Formula":"C15H15ClN2O4S","All.Compound.Names":"Xipamide|14293-44-8|Dtxsid5023744","logHenry":-10.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.192,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.108,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.787,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.7,"MP.Reference":"EPA-CCD-OPERA","MW":354.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.7,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"14293-44-8"}
{"Compound":"Dodecanoic acid","CAS":"143-07-7","CAS.Checksum":true,"DTXSID":"DTXSID5021590","Formula":"C12H24O2","All.Compound.Names":"Dodecanoic acid|Dtxsid5021590|143-07-7","logHenry":-6.693,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.6,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.057,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.615,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.11,"MP.Reference":"EPA-CCD-OPERA","MW":200.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"143-07-7"}
{"Compound":"1-nonanol","CAS":"143-08-8","CAS.Checksum":true,"DTXSID":"DTXSID6022008","Formula":"C9H20O","All.Compound.Names":"1-nonanol|Dtxsid6022008|143-08-8","logHenry":-4.617,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.72,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.024,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.01,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.949,"MP.Reference":"EPA-CCD-OPERA","MW":144.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"143-08-8"}
{"Compound":"Nonyl acetate","CAS":"143-13-5","CAS.Checksum":true,"DTXSID":"DTXSID4047123","Formula":"C11H22O2","All.Compound.Names":"Nonyl acetate|Dtxsid4047123","logHenry":-3.753,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.216,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.607,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.129,"logWSol.Reference":"EPA-CCD-OPERA","MP":-27.35,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"143-13-5"}
{"Compound":"1-bromododecane","CAS":"143-15-7","CAS.Checksum":true,"DTXSID":"DTXSID2044395","Formula":"C12H25Br","All.Compound.Names":"1-bromododecane|Dtxsid2044395","logHenry":-2.914,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.234,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6436,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.347,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.22,"MP.Reference":"EPA-CCD-OPERA","MW":249.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"143-15-7"}
{"Compound":"Dihexylamine","CAS":"143-16-8","CAS.Checksum":true,"DTXSID":"DTXSID1022009","Formula":"C12H27N","All.Compound.Names":"Dihexylamine|Dtxsid1022009|143-16-8","logHenry":-4.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.5,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.91,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.159,"logWSol.Reference":"EPA-CCD-OPERA","MP":-12.97,"MP.Reference":"EPA-CCD-OPERA","MW":185.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"143-16-8"}
{"Compound":"2-[2-(2-butoxyethoxy)ethoxy]ethanol","CAS":"143-22-6","CAS.Checksum":true,"DTXSID":"DTXSID7021520","Formula":"C10H22O4","All.Compound.Names":"2-[2-(2-butoxyethoxy)ethoxy]ethanol|Dtxsid7021520|143-22-6","logHenry":-8.096,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8218,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.716,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6845,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.99,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"143-22-6"}
{"Compound":"N-(6-aminohexyl)hexane-1,6-diamine","CAS":"143-23-7","CAS.Checksum":true,"DTXSID":"DTXSID4027109","Formula":"C12H29N3","All.Compound.Names":"N-(6-aminohexyl)hexane-1,6-diamine|Dtxsid4027109|143-23-7","logHenry":-6.785,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.581,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.746,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.272,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.94,"MP.Reference":"EPA-CCD-OPERA","MW":215.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"143-23-7"}
{"Compound":"2,5,8,11,14-pentaoxapentadecane","CAS":"143-24-8","CAS.Checksum":true,"DTXSID":"DTXSID7044396","Formula":"C10H22O5","All.Compound.Names":"2,5,8,11,14-pentaoxapentadecane|Dtxsid7044396","logHenry":-5.879,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2899,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.636,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2115,"logWSol.Reference":"EPA-CCD-OPERA","MP":-31.69,"MP.Reference":"EPA-CCD-OPERA","MW":222.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"143-24-8"}
{"Compound":"Hexadecylamine","CAS":"143-27-1","CAS.Checksum":true,"DTXSID":"DTXSID7025390","Formula":"C16H35N","All.Compound.Names":"Hexadecylamine|Dtxsid7025390|143-27-1","logHenry":-4.679,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.625,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.207,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.582,"logWSol.Reference":"EPA-CCD-OPERA","MP":47,"MP.Reference":"EPA-CCD-OPERA","MW":241.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"143-27-1"}
{"Compound":"(9z)-octadec-9-en-1-ol","CAS":"143-28-2","CAS.Checksum":true,"DTXSID":"DTXSID0022010","Formula":"C18H36O","All.Compound.Names":"(9z)-octadec-9-en-1-ol|Cis-oleyl alcohol|Dtxsid0022010|143-28-2","logHenry":-5.225,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.614,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.974,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.055,"logWSol.Reference":"EPA-CCD-OPERA","MP":50.51,"MP.Reference":"EPA-CCD-OPERA","MW":268.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"143-28-2"}
{"Compound":"Dextrorphan tartrate","CAS":"143-98-6","CAS.Checksum":true,"DTXSID":"DTXSID8048997","Formula":"C21H29NO7","All.Compound.Names":"Dextrorphan tartrate|Dtxsid8048997|143-98-6","logHenry":-7.962,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7872,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.502,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.386,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.3,"MP.Reference":"EPA-CCD-OPERA","MW":407.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"143-98-6"}
{"Compound":"Cerivastatin sodium","CAS":"143201-11-0","CAS.Checksum":true,"DTXSID":"DTXSID0046488","Formula":"C26H33FNNaO5","All.Compound.Names":"Cerivastatin sodium|Dtxsid0046488|143201-11-0","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.029,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.376,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.753,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.4,"MP.Reference":"EPA-CCD-OPERA","MW":481.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"143201-11-0"}
{"Compound":"Zinc diethyldithiocarbamate","CAS":"14324-55-1","CAS.Checksum":true,"DTXSID":"DTXSID5021463","Formula":"C10H20N2S4Zn","All.Compound.Names":"Zinc diethyldithiocarbamate|Dtxsid5021463|14324-55-1","logHenry":-8.007,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.499,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.002,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.49,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.6,"MP.Reference":"EPA-CCD-OPERA","MW":361.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14324-55-1"}
{"Compound":"1-ethyl-3-methylimidazolium nitrate","CAS":"143314-14-1","CAS.Checksum":true,"DTXSID":"DTXSID7049217","Formula":"C6H11N3O3","All.Compound.Names":"1-ethyl-3-methylimidazolium nitrate|Dtxsid7049217|143314-14-1","logHenry":-2.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.412,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.734,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01646,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.74,"MP.Reference":"EPA-CCD-OPERA","MW":173.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"143314-14-1"}
{"Compound":"1-ethyl-3-methylimidazolium tetrafluoroborate","CAS":"143314-16-3","CAS.Checksum":true,"DTXSID":"DTXSID2049218","Formula":"C6H11BF4N2","All.Compound.Names":"1-ethyl-3-methylimidazolium tetrafluoroborate|Dtxsid2049218|143314-16-3","logHenry":-2.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7144,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.431,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01646,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.6,"MP.Reference":"EPA-CCD-OPERA","MW":198,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"143314-16-3"}
{"Compound":"Toborinone","CAS":"143343-83-3","CAS.Checksum":true,"DTXSID":"DTXSID3048813","Formula":"C21H24N2O5","All.Compound.Names":"Toborinone|Dtxsid3048813|143343-83-3","logHenry":-10.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.284,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.091,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.76,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.6,"MP.Reference":"EPA-CCD-OPERA","MW":384.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"143343-83-3"}
{"Compound":"Naratriptan hydrochloride","CAS":"143388-64-1","CAS.Checksum":true,"DTXSID":"DTXSID6049064","Formula":"C17H26ClN3O2S","All.Compound.Names":"Naratriptan hydrochloride|Dtxsid6049064|143388-64-1","logHenry":-8.241,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.042,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.32,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.839,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.9,"MP.Reference":"EPA-CCD-OPERA","MW":371.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"143388-64-1"}
{"Compound":"Kresoxim-methyl","CAS":"143390-89-0","CAS.Checksum":true,"DTXSID":"DTXSID2032558","Formula":"C18H19NO4","All.Compound.Names":"Kresoxim-methyl|Dtxsid2032558|143390-89-0","logHenry":-7.712,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.399,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.028,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.195,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.91,"MP.Reference":"EPA-CCD-OPERA","MW":313.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"143390-89-0"}
{"Compound":"Pregnenolone carbonitrile","CAS":"1434-54-4","CAS.Checksum":true,"DTXSID":"DTXSID7037262","Formula":"C22H31NO2","All.Compound.Names":"Pregnenolone carbonitrile|Dtxsid7037262|1434-54-4","logHenry":-8.818,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.579,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.968,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.125,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.5,"MP.Reference":"EPA-CCD-OPERA","MW":341.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1434-54-4"}
{"Compound":"Bicisate dihydrochloride","CAS":"14344-58-2","CAS.Checksum":true,"DTXSID":"DTXSID4046656","Formula":"C12H26Cl2N2O4S2","All.Compound.Names":"Bicisate dihydrochloride|Dtxsid4046656|14344-58-2","logHenry":-10.8,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5899,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.574,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.418,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.8,"MP.Reference":"EPA-CCD-OPERA","MW":397.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.82","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14344-58-2"}
{"Compound":"Pinokalant hydrochloride","CAS":"143482-60-4","CAS.Checksum":true,"DTXSID":"DTXSID0046305","Formula":"C41H49ClN2O9","All.Compound.Names":"Pinokalant hydrochloride|Dtxsid0046305|143482-60-4","logHenry":-7.951,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.302,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.371,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.816,"logWSol.Reference":"EPA-CCD-OPERA","MP":208.2,"MP.Reference":"EPA-CCD-OPERA","MW":749.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"143482-60-4"}
{"Compound":"Emtricitabine","CAS":"143491-57-0","CAS.Checksum":true,"DTXSID":"DTXSID0040129","Formula":"C8H10FN3O3S","All.Compound.Names":"Emtricitabine|Dtxsid0040129|143491-57-0","logHenry":-10.2,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4321,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.837,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6644,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.2,"MP.Reference":"EPA-CCD-OPERA","MW":247.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"143491-57-0"}
{"Compound":"Sodium abietate","CAS":"14351-66-7","CAS.Checksum":true,"DTXSID":"DTXSID8042399","Formula":"C20H29NaO2","All.Compound.Names":"Sodium abietate|Dtxsid8042399|14351-66-7","logHenry":-6.083,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.402,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.488,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.798,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.3,"MP.Reference":"EPA-CCD-OPERA","MW":324.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14351-66-7"}
{"Compound":"Trocimine","CAS":"14368-24-2","CAS.Checksum":true,"DTXSID":"DTXSID1046475","Formula":"C17H25NO4","All.Compound.Names":"Trocimine|Dtxsid1046475|14368-24-2","logHenry":-6.562,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.955,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.288,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.236,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.82,"MP.Reference":"EPA-CCD-OPERA","MW":307.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14368-24-2"}
{"Compound":"(2e)-3-phenylprop-2-enal","CAS":"14371-10-9","CAS.Checksum":true,"DTXSID":"DTXSID6024834","Formula":"C9H8O","All.Compound.Names":"(2e)-3-phenylprop-2-enal|Dtxsid6024834","logHenry":-4.182,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.899,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.929,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.968,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.94,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14371-10-9"}
{"Compound":"Abscisic acid","CAS":"14375-45-2","CAS.Checksum":true,"DTXSID":"DTXSID1030604","Formula":"C15H20O4","All.Compound.Names":"Abscisic acid|(rs)-abscisic acid|Dtxsid1030604|14375-45-2","logHenry":-7.982,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.688,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.726,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.904,"logWSol.Reference":"EPA-CCD-OPERA","MP":160,"MP.Reference":"EPA-CCD-OPERA","MW":264.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14375-45-2"}
{"Compound":"1-furfurylpyrrole","CAS":"1438-94-4","CAS.Checksum":true,"DTXSID":"DTXSID5047663","Formula":"C9H9NO","All.Compound.Names":"1-furfurylpyrrole|Dtxsid5047663|1438-94-4","logHenry":-4.462,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.931,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.145,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6827,"logWSol.Reference":"EPA-CCD-OPERA","MP":-57.51,"MP.Reference":"EPA-CCD-OPERA","MW":147.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1438-94-4"}
{"Compound":"Indium(iii) chloride hydrate","CAS":"143983-91-9","CAS.Checksum":true,"DTXSID":"DTXSID7047512","Formula":"Cl3H4InO2","All.Compound.Names":"Indium(iii) chloride hydrate","MW":257.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"143983-91-9"}
{"Compound":"Sodium barbital","CAS":"144-02-5","CAS.Checksum":true,"DTXSID":"DTXSID3020128","Formula":"C8H11N2NaO3","All.Compound.Names":"Sodium barbital|Dtxsid3020128|144-02-5","logHenry":-8.677,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6338,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.721,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.251,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.7,"MP.Reference":"EPA-CCD-OPERA","MW":206.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"144-02-5"}
{"Compound":"Anileridine","CAS":"144-14-9","CAS.Checksum":true,"DTXSID":"DTXSID8022610","Formula":"C22H28N2O2","All.Compound.Names":"Anileridine|Dtxsid8022610|144-14-9","logHenry":-7.602,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.85,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.577,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.535,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.08,"MP.Reference":"EPA-CCD-OPERA","MW":352.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"144-14-9"}
{"Compound":"2,2,4-trimethyl-1,3-pentanediol","CAS":"144-19-4","CAS.Checksum":true,"DTXSID":"DTXSID8027113","Formula":"C8H18O2","All.Compound.Names":"2,2,4-trimethyl-1,3-pentanediol|Dtxsid8027113|144-19-4","logHenry":-6.917,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.241,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.349,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8826,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.36,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"144-19-4"}
{"Compound":"3,7-dimethylocta-1,6-dien-3-yl propanoate","CAS":"144-39-8","CAS.Checksum":true,"DTXSID":"DTXSID1047574","Formula":"C13H22O2","All.Compound.Names":"3,7-dimethylocta-1,6-dien-3-yl propanoate|Dtxsid1047574","logHenry":-3.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.373,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.436,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.605,"logWSol.Reference":"EPA-CCD-OPERA","MP":-54.12,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"144-39-8"}
{"Compound":"Iodoacetamide","CAS":"144-48-9","CAS.Checksum":true,"DTXSID":"DTXSID9020742","Formula":"C2H4INO","All.Compound.Names":"Iodoacetamide|Dtxsid9020742|144-48-9","logHenry":-8.201,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1898,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.256,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6852,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.54,"MP.Reference":"EPA-CCD-OPERA","MW":185,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"144-48-9"}
{"Compound":"Fluoroacetic acid","CAS":"144-49-0","CAS.Checksum":true,"DTXSID":"DTXSID0041981","Formula":"C2H3FO2","All.Compound.Names":"Fluoroacetic acid|2-fluoroacetic acid|Dtxsid0041981|144-49-0","logHenry":-7.905,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1176,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.818,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.077,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.28,"MP.Reference":"EPA-CCD-OPERA","MW":78.04,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"144-49-0"}
{"Compound":"Oxalic acid","CAS":"144-62-7","CAS.Checksum":true,"DTXSID":"DTXSID0025816","Formula":"C2H2O4","All.Compound.Names":"Oxalic acid|144-62-7|Dtxsid0025816","logHenry":-9.843,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8555,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.34,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2808,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.8,"MP.Reference":"EPA-CCD-OPERA","MW":90.03,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.07,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"144-62-7"}
{"Compound":"Physalien","CAS":"144-67-2","CAS.Checksum":true,"DTXSID":"DTXSID6048707","Formula":"C72H116O4","All.Compound.Names":"Physalien|Dtxsid6048707","logHenry":-7.719,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.943,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.728,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.08,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.86,"MP.Reference":"EPA-CCD-OPERA","MW":1046,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"144-67-2"}
{"Compound":"Zeaxanthin","CAS":"144-68-3","CAS.Checksum":true,"DTXSID":"DTXSID5046807","Formula":"C40H56O2","All.Compound.Names":"Zeaxanthin|Dtxsid5046807|144-68-3","logHenry":-7.002,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.99,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2707,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.001,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.1,"MP.Reference":"EPA-CCD-OPERA","MW":568.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"144-68-3"}
{"Compound":"Sulfathiazole sodium","CAS":"144-74-1","CAS.Checksum":true,"DTXSID":"DTXSID6051724","Formula":"C9H8N3NaO2S2","All.Compound.Names":"Sulfathiazole sodium|Dtxsid6051724|144-74-1","logHenry":-10.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.633,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.71,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.581,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.1,"MP.Reference":"EPA-CCD-OPERA","MW":277.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"144-74-1"}
{"Compound":"Adesulfone sodium","CAS":"144-75-2","CAS.Checksum":true,"DTXSID":"DTXSID9023623","Formula":"C14H14N2Na2O6S3","All.Compound.Names":"Adesulfone sodium|Dtxsid9023623|144-75-2","logHenry":-11.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8343,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.631,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.997,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.4,"MP.Reference":"EPA-CCD-OPERA","MW":448.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"144-75-2"}
{"Compound":"Chloro(methyl)diphenylsilane","CAS":"144-79-6","CAS.Checksum":true,"DTXSID":"DTXSID3027116","Formula":"C13H13ClSi","All.Compound.Names":"Chloro(methyl)diphenylsilane|Dtxsid3027116","logHenry":-1.785,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.569,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.306,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.249,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.12,"MP.Reference":"EPA-CCD-OPERA","MW":232.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"144-79-6"}
{"Compound":"Sulfacetamide","CAS":"144-80-9","CAS.Checksum":true,"DTXSID":"DTXSID8026060","Formula":"C8H10N2O3S","All.Compound.Names":"Sulfacetamide|Dtxsid8026060|144-80-9","logHenry":-10.41,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9535,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.092,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.418,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.1,"MP.Reference":"EPA-CCD-OPERA","MW":214.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"144-80-9"}
{"Compound":"Sulfamethizole","CAS":"144-82-1","CAS.Checksum":true,"DTXSID":"DTXSID5023615","Formula":"C9H10N4O2S2","All.Compound.Names":"Sulfamethizole|Dtxsid5023615|144-82-1","logHenry":-10.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5419,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.594,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.411,"logWSol.Reference":"EPA-CCD-OPERA","MP":208,"MP.Reference":"EPA-CCD-OPERA","MW":270.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1,0.444,2.25","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"144-82-1"}
{"Compound":"Sulfapyridine","CAS":"144-83-2","CAS.Checksum":true,"DTXSID":"DTXSID3026067","Formula":"C11H11N3O2S","All.Compound.Names":"Sulfapyridine|Dtxsid3026067|144-83-2","logHenry":-10.4,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3526,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.735,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.903,"logWSol.Reference":"EPA-CCD-OPERA","MP":192,"MP.Reference":"EPA-CCD-OPERA","MW":249.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.68","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"21.4,9.49,48.2","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"144-83-2"}
{"Compound":"Febuxostat","CAS":"144060-53-7","CAS.Checksum":true,"DTXSID":"DTXSID8048650","Formula":"C16H16N2O3S","All.Compound.Names":"Febuxostat|Dtxsid8048650|144060-53-7","logHenry":-9.263,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.821,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.835,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.079,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.4,"MP.Reference":"EPA-CCD-OPERA","MW":316.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"144060-53-7"}
{"Compound":"Eprosartan mesylate","CAS":"144143-96-4","CAS.Checksum":true,"DTXSID":"DTXSID7044217","Formula":"C24H28N2O7S2","All.Compound.Names":"Eprosartan mesylate|Dtxsid7044217|144143-96-4","logHenry":-8.721,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5641,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.055,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.062,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.5,"MP.Reference":"EPA-CCD-OPERA","MW":520.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"144143-96-4"}
{"Compound":"Melinamide","CAS":"14417-88-0","CAS.Checksum":true,"DTXSID":"DTXSID9048809","Formula":"C26H41NO","All.Compound.Names":"Melinamide|Dtxsid9048809|14417-88-0","logHenry":-7.144,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.4,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.91,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.879,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.34,"MP.Reference":"EPA-CCD-OPERA","MW":383.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14417-88-0"}
{"Compound":"(+-)-indoxacarb","CAS":"144171-61-9","CAS.Checksum":true,"DTXSID":"DTXSID3040801","Formula":"C22H17ClF3N3O7","All.Compound.Names":"(+-)-indoxacarb|(+/-)-indoxacarb|Dtxsid3040801|144171-61-9","logHenry":-7.665,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.647,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.036,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.417,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.4,"MP.Reference":"EPA-CCD-OPERA","MW":527.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"144171-61-9"}
{"Compound":"Alpha-methylfentanyl hydrochloride","CAS":"1443-44-3","CAS.Checksum":true,"DTXSID":"DTXSID9048932","Formula":"C23H31ClN2O","All.Compound.Names":"Alpha-methylfentanyl hydrochloride|Dtxsid9048932|1443-44-3","logHenry":-7.199,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.107,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.6,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.27,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.8,"MP.Reference":"EPA-CCD-OPERA","MW":387,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1443-44-3"}
{"Compound":"N,n-dimethyldecanamide","CAS":"14433-76-2","CAS.Checksum":true,"DTXSID":"DTXSID1027764","Formula":"C12H25NO","All.Compound.Names":"N,n-dimethyldecanamide|N,n-dimethyldecan-1-amide|Dtxsid1027764|14433-76-2","logHenry":-4.543,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.883,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.372,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.759,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.63,"MP.Reference":"EPA-CCD-OPERA","MW":199.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14433-76-2"}
{"Compound":"2-phenylcyclohexanol","CAS":"1444-64-0","CAS.Checksum":true,"DTXSID":"DTXSID4041446","Formula":"C12H16O","All.Compound.Names":"2-phenylcyclohexanol|Dtxsid4041446|1444-64-0","logHenry":-6.152,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.859,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.699,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.185,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.9,"MP.Reference":"EPA-CCD-OPERA","MW":176.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1444-64-0"}
{"Compound":"Landiolol hydrochloride","CAS":"144481-98-1","CAS.Checksum":true,"DTXSID":"DTXSID3048605","Formula":"C25H40ClN3O8","All.Compound.Names":"Landiolol hydrochloride|Dtxsid3048605|144481-98-1","logHenry":-10.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1123,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.337,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.095,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.6,"MP.Reference":"EPA-CCD-OPERA","MW":546.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"144481-98-1"}
{"Compound":"1,1,1-trimethoxyethane","CAS":"1445-45-0","CAS.Checksum":true,"DTXSID":"DTXSID8027400","Formula":"C5H12O3","All.Compound.Names":"1,1,1-trimethoxyethane|Dtxsid8027400","logHenry":-4.461,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7988,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.294,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3978,"logWSol.Reference":"EPA-CCD-OPERA","MP":-52.3,"MP.Reference":"EPA-CCD-OPERA","MW":120.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1445-45-0"}
{"Compound":"Olmesartan medoxomil","CAS":"144689-63-4","CAS.Checksum":true,"DTXSID":"DTXSID9045924","Formula":"C29H30N6O6","All.Compound.Names":"Olmesartan medoxomil|Dtxsid9045924|144689-63-4","logHenry":-8.598,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.817,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.916,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.392,"logWSol.Reference":"EPA-CCD-OPERA","MP":227.9,"MP.Reference":"EPA-CCD-OPERA","MW":558.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"144689-63-4"}
{"Compound":"Deflazacort","CAS":"14484-47-0","CAS.Checksum":true,"DTXSID":"DTXSID9020378","Formula":"C25H31NO6","All.Compound.Names":"Deflazacort|14484-47-0|Dtxsid9020378","logHenry":-11.07,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.339,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.976,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.514,"logWSol.Reference":"EPA-CCD-OPERA","MP":255.9,"MP.Reference":"EPA-CCD-OPERA","MW":441.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.68,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"14484-47-0"}
{"Compound":"Ferbam","CAS":"14484-64-1","CAS.Checksum":true,"DTXSID":"DTXSID8020624","Formula":"C9H18FeN3S6","All.Compound.Names":"Ferbam|Dtxsid8020624|14484-64-1","logHenry":-7.986,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.607,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.969,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.504,"logWSol.Reference":"EPA-CCD-OPERA","MP":137,"MP.Reference":"EPA-CCD-OPERA","MW":416.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14484-64-1"}
{"Compound":"Pregnenolone","CAS":"145-13-1","CAS.Checksum":true,"DTXSID":"DTXSID1036541","Formula":"C21H32O2","All.Compound.Names":"Pregnenolone|Dtxsid1036541|145-13-1","logHenry":-8.357,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.216,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.708,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.646,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.6,"MP.Reference":"EPA-CCD-OPERA","MW":316.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"145-13-1"}
{"Compound":"1-tert-butyl-3,4,5-trimethyl-2,6-dinitrobenzene","CAS":"145-39-1","CAS.Checksum":true,"DTXSID":"DTXSID9044582","Formula":"C13H18N2O4","All.Compound.Names":"1-tert-butyl-3,4,5-trimethyl-2,6-dinitrobenzene|Dtxsid9044582","logHenry":-4.944,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.513,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.858,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.412,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.5,"MP.Reference":"EPA-CCD-OPERA","MW":266.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"145-39-1"}
{"Compound":"Chlorindanol","CAS":"145-94-8","CAS.Checksum":true,"DTXSID":"DTXSID5041774","Formula":"C9H9ClO","All.Compound.Names":"Chlorindanol|Dtxsid5041774|145-94-8","logHenry":-6.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.77,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.669,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.462,"logWSol.Reference":"EPA-CCD-OPERA","MP":91.88,"MP.Reference":"EPA-CCD-OPERA","MW":168.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"145-94-8"}
{"Compound":"Pyrimidine-2-thiol","CAS":"1450-85-7","CAS.Checksum":true,"DTXSID":"DTXSID6049220","Formula":"C4H4N2S","All.Compound.Names":"Pyrimidine-2-thiol|Dtxsid6049220|1450-85-7","logHenry":-7.803,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.107,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.916,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.183,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.45,"MP.Reference":"EPA-CCD-OPERA","MW":112.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1450-85-7"}
{"Compound":"1-ethyl-3-methylimidazolium trifluoromethanesulfonate","CAS":"145022-44-2","CAS.Checksum":true,"DTXSID":"DTXSID4047965","Formula":"C7H11F3N2O3S","All.Compound.Names":"1-ethyl-3-methylimidazolium trifluoromethanesulfonate|Dtxsid4047965|145022-44-2","logHenry":-2.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7544,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.391,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01646,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.9,"MP.Reference":"EPA-CCD-OPERA","MW":260.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"145022-44-2"}
{"Compound":"1-ethyl-3-methylimidazolium methanesulfonate","CAS":"145022-45-3","CAS.Checksum":true,"DTXSID":"DTXSID7049219","Formula":"C7H14N2O3S","All.Compound.Names":"1-ethyl-3-methylimidazolium methanesulfonate|Dtxsid7049219|145022-45-3","logHenry":-2.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6281,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.518,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01646,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.2,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"145022-45-3"}
{"Compound":"Candesartan cilexetil","CAS":"145040-37-5","CAS.Checksum":true,"DTXSID":"DTXSID5020239","Formula":"C33H34N6O6","All.Compound.Names":"Candesartan cilexetil|Dtxsid5020239|145040-37-5","logHenry":-7.832,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.364,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.012,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.909,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.9,"MP.Reference":"EPA-CCD-OPERA","MW":610.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"145040-37-5"}
{"Compound":"4-thiazolecarbonitrile","CAS":"1452-15-9","CAS.Checksum":true,"DTXSID":"DTXSID3027401","Formula":"C4H2N2S","All.Compound.Names":"4-thiazolecarbonitrile|Dtxsid3027401|1452-15-9","logHenry":-6.149,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9559,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.011,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.08143,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.92,"MP.Reference":"EPA-CCD-OPERA","MW":110.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1452-15-9"}
{"Compound":"Isonicotinamide","CAS":"1453-82-3","CAS.Checksum":true,"DTXSID":"DTXSID3020756","Formula":"C6H6N2O","All.Compound.Names":"Isonicotinamide|Dtxsid3020756|1453-82-3","logHenry":-8.643,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2817,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.737,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2625,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.6,"MP.Reference":"EPA-CCD-OPERA","MW":122.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.25","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1453-82-3"}
{"Compound":"Guanazole","CAS":"1455-77-2","CAS.Checksum":true,"DTXSID":"DTXSID0025367","Formula":"C2H5N5","All.Compound.Names":"Guanazole|Dtxsid0025367|1455-77-2","logHenry":-7.984,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.609,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.501,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.667,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.2,"MP.Reference":"EPA-CCD-OPERA","MW":99.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.08","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1455-77-2"}
{"Compound":"Bupranolol","CAS":"14556-46-8","CAS.Checksum":true,"DTXSID":"DTXSID7022704","Formula":"C14H22ClNO2","All.Compound.Names":"Bupranolol|Dtxsid7022704|14556-46-8","logHenry":-8.247,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.97,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.398,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.245,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.6,"MP.Reference":"EPA-CCD-OPERA","MW":271.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14556-46-8"}
{"Compound":"Florasulam","CAS":"145701-23-1","CAS.Checksum":true,"DTXSID":"DTXSID7044340","Formula":"C12H8F3N5O3S","All.Compound.Names":"Florasulam|Dtxsid7044340|145701-23-1","logHenry":-9.778,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.512,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.225,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.753,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.8,"MP.Reference":"EPA-CCD-OPERA","MW":359.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"145701-23-1"}
{"Compound":"Goserelin acetate","CAS":"145781-92-6","CAS.Checksum":true,"DTXSID":"DTXSID9046736","Formula":"C61H88N18O16","All.Compound.Names":"Goserelin acetate|Dtxsid9046736|145781-92-6","logHenry":-10.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8899,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.754,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.01,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.8,"MP.Reference":"EPA-CCD-OPERA","MW":1329,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"145781-92-6"}
{"Compound":"Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate","CAS":"1458-18-0","CAS.Checksum":true,"DTXSID":"DTXSID8057645","Formula":"C6H5Cl2N3O2","All.Compound.Names":"Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate|Dtxsid8057645|1458-18-0","logHenry":-9.147,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1666,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.086,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.78,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.2,"MP.Reference":"EPA-CCD-OPERA","MW":222,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1458-18-0"}
{"Compound":"Tiagabine hydrochloride","CAS":"145821-59-6","CAS.Checksum":true,"DTXSID":"DTXSID2044218","Formula":"C20H26ClNO2S2","All.Compound.Names":"Tiagabine hydrochloride|Dtxsid2044218|145821-59-6","logHenry":-8.357,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6777,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.719,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.702,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.2,"MP.Reference":"EPA-CCD-OPERA","MW":412,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"145821-59-6"}
{"Compound":"Liarozole hydrochloride","CAS":"145858-50-0","CAS.Checksum":true,"DTXSID":"DTXSID9046817","Formula":"C17H14Cl2N4","All.Compound.Names":"Liarozole hydrochloride|Dtxsid9046817|145858-50-0","logHenry":-7.006,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8977,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.529,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.884,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.4,"MP.Reference":"EPA-CCD-OPERA","MW":345.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"145858-50-0"}
{"Compound":"Cholin acetate","CAS":"14586-35-7","CAS.Checksum":true,"DTXSID":"DTXSID3048990","Formula":"C7H17NO3","All.Compound.Names":"Cholin acetate|Dtxsid3048990|14586-35-7","logHenry":-4.743,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.375,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.7,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.667,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.09,"MP.Reference":"EPA-CCD-OPERA","MW":163.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14586-35-7"}
{"Compound":"Difeterol","CAS":"14587-50-9","CAS.Checksum":true,"DTXSID":"DTXSID5048849","Formula":"C25H29NO2","All.Compound.Names":"Difeterol|Dtxsid5048849|14587-50-9","logHenry":-8.693,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.187,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.206,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.151,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.5,"MP.Reference":"EPA-CCD-OPERA","MW":375.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14587-50-9"}
{"Compound":"Dimethyl isophthalate","CAS":"1459-93-4","CAS.Checksum":true,"DTXSID":"DTXSID8027402","Formula":"C10H10O4","All.Compound.Names":"Dimethyl isophthalate|Dtxsid8027402","logHenry":-7.117,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.91,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.809,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.826,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.73,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1459-93-4"}
{"Compound":"Fr145237","CAS":"146011-65-6","CAS.Checksum":true,"DTXSID":"DTXSID6048171","Formula":"C30H22ClF3N2O2","All.Compound.Names":"Fr145237|Dtxsid6048171|146011-65-6","logHenry":-7.323,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.584,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.984,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.723,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.6,"MP.Reference":"EPA-CCD-OPERA","MW":535,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"146011-65-6"}
{"Compound":"Oftasceine","CAS":"1461-15-0","CAS.Checksum":true,"DTXSID":"DTXSID8045856","Formula":"C30H26N2O13","All.Compound.Names":"Oftasceine|Dtxsid8045856|1461-15-0","logHenry":-10.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.725,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.81,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.482,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.4,"MP.Reference":"EPA-CCD-OPERA","MW":622.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1461-15-0"}
{"Compound":"Tetrabutyltin","CAS":"1461-25-2","CAS.Checksum":true,"DTXSID":"DTXSID4022153","Formula":"C16H36Sn","All.Compound.Names":"Tetrabutyltin","MW":347.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1461-25-2"}
{"Compound":"Selegiline hydrochloride","CAS":"14611-52-0","CAS.Checksum":true,"DTXSID":"DTXSID9044584","Formula":"C13H18ClN","All.Compound.Names":"Selegiline hydrochloride|Dtxsid9044584|14611-52-0","logHenry":-3.411,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1912,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.572,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.343,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.1,"MP.Reference":"EPA-CCD-OPERA","MW":223.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14611-52-0"}
{"Compound":"Terlipressin","CAS":"14636-12-5","CAS.Checksum":true,"DTXSID":"DTXSID7048952","Formula":"C52H74N16O15S2","All.Compound.Names":"Terlipressin|Dtxsid7048952|14636-12-5","logHenry":-10.57,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.047,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.595,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.075,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.6,"MP.Reference":"EPA-CCD-OPERA","MW":1227,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14636-12-5"}
{"Compound":"Chromium picolinate","CAS":"14639-25-9","CAS.Checksum":true,"DTXSID":"DTXSID1024831","Formula":"C18H12CrN3O6","All.Compound.Names":"Chromium picolinate|Dtxsid1024831|14639-25-9","logHenry":-8.036,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.429,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.423,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8768,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.8,"MP.Reference":"EPA-CCD-OPERA","MW":418.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14639-25-9"}
{"Compound":"Selenomethionine","CAS":"1464-42-2","CAS.Checksum":true,"DTXSID":"DTXSID7040609","Formula":"C5H11NO2Se","All.Compound.Names":"Selenomethionine|Dtxsid7040609|1464-42-2","logHenry":-6.272,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.13,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.243,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2849,"logWSol.Reference":"EPA-CCD-OPERA","MP":237.5,"MP.Reference":"EPA-CCD-OPERA","MW":196.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.64","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"1.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1464-42-2"}
{"Compound":"Zinc diacrylate","CAS":"14643-87-9","CAS.Checksum":true,"DTXSID":"DTXSID1027768","Formula":"C6H6O4Zn","All.Compound.Names":"Zinc diacrylate|Zinc acrylate|Dtxsid1027768|14643-87-9","logHenry":-6.702,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.019,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.839,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.141,"logWSol.Reference":"EPA-CCD-OPERA","MP":239.5,"MP.Reference":"EPA-CCD-OPERA","MW":207.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14643-87-9"}
{"Compound":"Pralatrexate","CAS":"146464-95-1","CAS.Checksum":true,"DTXSID":"DTXSID3048578","Formula":"C23H23N7O5","All.Compound.Names":"Pralatrexate|Dtxsid3048578|146464-95-1","logHenry":-10.92,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5466,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.971,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.611,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.2,"MP.Reference":"EPA-CCD-OPERA","MW":477.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.56","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"1.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"146464-95-1"}
{"Compound":"N-norcodeine hydrochloride","CAS":"14648-14-7","CAS.Checksum":true,"DTXSID":"DTXSID7048906","Formula":"C17H20ClNO3","All.Compound.Names":"N-norcodeine hydrochloride|Dtxsid7048906|14648-14-7","logHenry":-9.906,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3652,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.486,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.541,"logWSol.Reference":"EPA-CCD-OPERA","MP":233.6,"MP.Reference":"EPA-CCD-OPERA","MW":321.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14648-14-7"}
{"Compound":"N-(1-naphthyl)ethylenediamine dihydrochloride","CAS":"1465-25-4","CAS.Checksum":true,"DTXSID":"DTXSID8020917","Formula":"C12H16Cl2N2","All.Compound.Names":"N-(1-naphthyl)ethylenediamine dihydrochloride|Dtxsid8020917|1465-25-4","logHenry":-6.952,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9886,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.086,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.965,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.4,"MP.Reference":"EPA-CCD-OPERA","MW":259.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1465-25-4"}
{"Compound":"2,6-dimethoxybenzoic acid","CAS":"1466-76-8","CAS.Checksum":true,"DTXSID":"DTXSID4046999","Formula":"C9H10O4","All.Compound.Names":"2,6-dimethoxybenzoic acid|Dtxsid4046999|1466-76-8","logHenry":-8.699,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6654,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.112,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.655,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.6,"MP.Reference":"EPA-CCD-OPERA","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1466-76-8"}
{"Compound":"Dantrolene sodium","CAS":"14663-23-1","CAS.Checksum":true,"DTXSID":"DTXSID4044585","Formula":"C14H9N4NaO5","All.Compound.Names":"Dantrolene sodium|Dtxsid4044585|14663-23-1","logHenry":-9.073,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.596,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.998,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.965,"logWSol.Reference":"EPA-CCD-OPERA","MP":232.8,"MP.Reference":"EPA-CCD-OPERA","MW":336.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14663-23-1"}
{"Compound":"4-{2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile","CAS":"146653-56-7","CAS.Checksum":true,"DTXSID":"DTXSID3044835","Formula":"C16H10F3NO","All.Compound.Names":"4-{2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile|Dtxsid3044835","logHenry":-8.464,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.633,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.241,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.588,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.2,"MP.Reference":"EPA-CCD-OPERA","MW":289.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"146653-56-7"}
{"Compound":"2,3,5-trimethylpyrazine","CAS":"14667-55-1","CAS.Checksum":true,"DTXSID":"DTXSID1047075","Formula":"C7H10N2","All.Compound.Names":"2,3,5-trimethylpyrazine|Dtxsid1047075|14667-55-1","logHenry":-4.946,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9498,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.557,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3494,"logWSol.Reference":"EPA-CCD-OPERA","MP":36.8,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14667-55-1"}
{"Compound":"9-anthracenemethanol","CAS":"1468-95-7","CAS.Checksum":true,"DTXSID":"DTXSID1049221","Formula":"C15H12O","All.Compound.Names":"9-anthracenemethanol|Dtxsid1049221|1468-95-7","logHenry":-7.312,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.04,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.4,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.919,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.8,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1468-95-7"}
{"Compound":"Cis-1,2,3,6-tetrahydrophthalimide","CAS":"1469-48-3","CAS.Checksum":true,"DTXSID":"DTXSID0041220","Formula":"C8H9NO2","All.Compound.Names":"Cis-1,2,3,6-tetrahydrophthalimide|Dtxsid0041220|1469-48-3","logHenry":-8.54,"logHenry.Reference":"OPERA29","logP":1.01,"logP.Reference":"OPERA29","logWSol":-1.41,"logWSol.Reference":"OPERA29","MP":137,"MP.Reference":"OPERA29","MW":151.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1469-48-3"}
{"Compound":"Alatrofloxacin mesylate","CAS":"146961-77-5","CAS.Checksum":true,"DTXSID":"DTXSID2057655","Formula":"C27H29F3N6O8S","All.Compound.Names":"Alatrofloxacin mesylate|Dtxsid2057655|146961-77-5","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6591,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.839,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.919,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.6,"MP.Reference":"EPA-CCD-OPERA","MW":654.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.15","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"146961-77-5"}
{"Compound":"Oxolinic acid","CAS":"14698-29-4","CAS.Checksum":true,"DTXSID":"DTXSID1021089","Formula":"C13H11NO5","All.Compound.Names":"Oxolinic acid|Dtxsid1021089|14698-29-4","logHenry":-8.827,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9425,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.734,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.904,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.2,"MP.Reference":"EPA-CCD-OPERA","MW":261.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14698-29-4"}
{"Compound":"1,2-dihydro-2,2,4-trimethylquinoline","CAS":"147-47-7","CAS.Checksum":true,"DTXSID":"DTXSID0025070","Formula":"C12H15N","All.Compound.Names":"1,2-dihydro-2,2,4-trimethylquinoline|Dtxsid0025070|147-47-7","logHenry":-6.56,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.776,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.951,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.01,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.41,"MP.Reference":"EPA-CCD-OPERA","MW":173.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"147-47-7"}
{"Compound":"2-iodohippuric acid","CAS":"147-58-0","CAS.Checksum":true,"DTXSID":"DTXSID8046161","Formula":"C9H8INO3","All.Compound.Names":"2-iodohippuric acid|Dtxsid8046161|147-58-0","logHenry":-9.375,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9762,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.428,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.271,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.1,"MP.Reference":"EPA-CCD-OPERA","MW":305.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"147-58-0"}
{"Compound":"Arabinose","CAS":"147-81-9","CAS.Checksum":true,"DTXSID":"DTXSID8041610","Formula":"C5H10O5","All.Compound.Names":"Arabinose|Dtxsid8041610|147-81-9","logHenry":-8.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.357,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.534,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4911,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.68,"MP.Reference":"EPA-CCD-OPERA","MW":150.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"147-81-9"}
{"Compound":"2-thiosalicylic acid","CAS":"147-93-3","CAS.Checksum":true,"DTXSID":"DTXSID4049032","Formula":"C7H6O2S","All.Compound.Names":"2-thiosalicylic acid|Dtxsid4049032|147-93-3","logHenry":-8.68,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.39,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.705,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.146,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.62,"MP.Reference":"EPA-CCD-OPERA","MW":154.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"147-93-3"}
{"Compound":"2-hydroxy-5-methylbenzophenone","CAS":"1470-57-1","CAS.Checksum":true,"DTXSID":"DTXSID9047881","Formula":"C14H12O2","All.Compound.Names":"2-hydroxy-5-methylbenzophenone|Dtxsid9047881|1470-57-1","logHenry":-8.095,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.442,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.833,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.843,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.04,"MP.Reference":"EPA-CCD-OPERA","MW":212.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1470-57-1"}
{"Compound":"Indan-5-ol","CAS":"1470-94-6","CAS.Checksum":true,"DTXSID":"DTXSID0051732","Formula":"C9H10O","All.Compound.Names":"Indan-5-ol|Dtxsid0051732|1470-94-6","logHenry":-6.179,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.988,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.531,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.331,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.88,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1470-94-6"}
{"Compound":"Trovafloxacin mesylate","CAS":"147059-75-4","CAS.Checksum":true,"DTXSID":"DTXSID0045701","Formula":"C21H19F3N4O6S","All.Compound.Names":"Trovafloxacin mesylate|Dtxsid0045701|147059-75-4","logHenry":-9.485,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5142,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.021,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.528,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.9,"MP.Reference":"EPA-CCD-OPERA","MW":512.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.5","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"147059-75-4"}
{"Compound":"(4s,6s)-5,6-dihydro-6-methyl-4h-thieno[2,3-b]thiopyran-4-ol 7,7-dioxide","CAS":"147086-81-5","CAS.Checksum":true,"DTXSID":"DTXSID3057646","Formula":"C8H10O3S2","All.Compound.Names":"(4s,6s)-5,6-dihydro-6-methyl-4h-thieno[2,3-b]thiopyran-4-ol 7,7-dioxide|Dtxsid3057646|147086-81-5","logHenry":-7.856,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.162,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.545,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.197,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.1,"MP.Reference":"EPA-CCD-OPERA","MW":218.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"147086-81-5"}
{"Compound":"Rosuvastatin calcium","CAS":"147098-20-2","CAS.Checksum":true,"DTXSID":"DTXSID9045928","Formula":"C44H54CaF2N6O12S2","All.Compound.Names":"Rosuvastatin calcium|Dtxsid9045928|147098-20-2","logHenry":-9.67,"logHenry.Reference":"OPERA29","logP":2.57,"logP.Reference":"OPERA29","logWSol":-3.73,"logWSol.Reference":"OPERA29","MP":197,"MP.Reference":"OPERA29","MW":1001,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.7","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"147098-20-2"}
{"Compound":"Cloransulam-methyl","CAS":"147150-35-4","CAS.Checksum":true,"DTXSID":"DTXSID8034372","Formula":"C15H13ClFN5O5S","All.Compound.Names":"Cloransulam-methyl|Dtxsid8034372|147150-35-4","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.639,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.656,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.073,"logWSol.Reference":"EPA-CCD-OPERA","MP":217,"MP.Reference":"EPA-CCD-OPERA","MW":429.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"147150-35-4"}
{"Compound":"Methylcarbamylcholine chloride","CAS":"14721-76-7","CAS.Checksum":true,"DTXSID":"DTXSID2045789","Formula":"C7H17ClN2O2","All.Compound.Names":"Methylcarbamylcholine chloride|Dtxsid2045789|14721-76-7","logHenry":-6.07,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1586,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.865,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.502,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.2,"MP.Reference":"EPA-CCD-OPERA","MW":196.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14721-76-7"}
{"Compound":"Benzyldimethyltetradecylammonium chloride dihydrate","CAS":"147228-81-7","CAS.Checksum":true,"DTXSID":"DTXSID4046606","Formula":"C23H46ClNO2","All.Compound.Names":"Benzyldimethyltetradecylammonium chloride dihydrate|Dtxsid4046606|147228-81-7","logHenry":-6.428,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.696,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.037,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.888,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.78,"MP.Reference":"EPA-CCD-OPERA","MW":404.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"147228-81-7"}
{"Compound":"N-[1-(2-hydroxy-2-phenylethyl)-4-piperidyl]-n-phenylpropanamide hydrochloride","CAS":"1473-95-6","CAS.Checksum":true,"DTXSID":"DTXSID9048934","Formula":"C22H29ClN2O2","All.Compound.Names":"N-[1-(2-hydroxy-2-phenylethyl)-4-piperidyl]-n-phenylpropanamide hydrochloride|Beta-hydroxy fentanyl hydrochloride|Dtxsid9048934|1473-95-6","logHenry":-7.538,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.484,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.867,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.718,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.8,"MP.Reference":"EPA-CCD-OPERA","MW":388.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1473-95-6"}
{"Compound":"Pitavastatin calcium","CAS":"147526-32-7","CAS.Checksum":true,"DTXSID":"DTXSID4046448","Formula":"C50H46CaF2N2O8","All.Compound.Names":"Pitavastatin calcium|Dtxsid4046448|147526-32-7","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2594,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.151,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.473,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.8,"MP.Reference":"EPA-CCD-OPERA","MW":881,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"147526-32-7"}
{"Compound":"(2z)-1,4-dichlorobut-2-ene","CAS":"1476-11-5","CAS.Checksum":true,"DTXSID":"DTXSID3027405","Formula":"C4H6Cl2","All.Compound.Names":"(2z)-1,4-dichlorobut-2-ene|Dtxsid3027405","logHenry":-2.981,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.053,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.55,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.276,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.53,"MP.Reference":"EPA-CCD-OPERA","MW":125,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1476-11-5"}
{"Compound":"Novobiocin sodium","CAS":"1476-53-5","CAS.Checksum":true,"DTXSID":"DTXSID9023386","Formula":"C31H35N2NaO11","All.Compound.Names":"Novobiocin sodium|Dtxsid9023386|1476-53-5","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.311,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.206,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.797,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.3,"MP.Reference":"EPA-CCD-OPERA","MW":634.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1476-53-5"}
{"Compound":"2-sec-butylcyclohexanone","CAS":"14765-30-1","CAS.Checksum":true,"DTXSID":"DTXSID4041818","Formula":"C10H18O","All.Compound.Names":"2-sec-butylcyclohexanone|2-sec-butylcyclohexan-1-one|Dtxsid4041818","logHenry":-3.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.239,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.764,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.329,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.18,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14765-30-1"}
{"Compound":"2-amino-4-methylbenzothiazole","CAS":"1477-42-5","CAS.Checksum":true,"DTXSID":"DTXSID9024487","Formula":"C8H8N2S","All.Compound.Names":"2-amino-4-methylbenzothiazole|Dtxsid9024487|1477-42-5","logHenry":-6.535,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.045,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.307,"logWSol.Reference":"EPA-CCD-OPERA","MP":138,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1477-42-5"}
{"Compound":"1,3-benzenedimethanamine","CAS":"1477-55-0","CAS.Checksum":true,"DTXSID":"DTXSID9029649","Formula":"C8H12N2","All.Compound.Names":"1,3-benzenedimethanamine|Dtxsid9029649|1477-55-0","logHenry":-8.531,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3624,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.483,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.419,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.87,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.52","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1477-55-0"}
{"Compound":"Cefcapene pivoxil hydrochloride","CAS":"147816-23-7","CAS.Checksum":true,"DTXSID":"DTXSID7048582","Formula":"C23H30ClN5O8S2","All.Compound.Names":"Cefcapene pivoxil hydrochloride|Dtxsid7048582|147816-23-7","logHenry":-10.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.369,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.17,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.135,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.7,"MP.Reference":"EPA-CCD-OPERA","MW":604.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"147816-23-7"}
{"Compound":"Zoalene","CAS":"148-01-6","CAS.Checksum":true,"DTXSID":"DTXSID6042521","Formula":"C8H7N3O5","All.Compound.Names":"Zoalene|Dtxsid6042521|148-01-6","logHenry":-8.678,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3619,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.641,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.352,"logWSol.Reference":"EPA-CCD-OPERA","MP":177,"MP.Reference":"EPA-CCD-OPERA","MW":225.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"148-01-6"}
{"Compound":"Sodium diethyldithiocarbamate","CAS":"148-18-5","CAS.Checksum":true,"DTXSID":"DTXSID3022956","Formula":"C5H10NNaS2","All.Compound.Names":"Sodium diethyldithiocarbamate|Dtxsid3022956|148-18-5","logHenry":-8.007,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.737,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.766,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.49,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.96,"MP.Reference":"EPA-CCD-OPERA","MW":171.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"148-18-5"}
{"Compound":"3-[ethyl(phenyl)amino]propanenitrile","CAS":"148-87-8","CAS.Checksum":true,"DTXSID":"DTXSID4044587","Formula":"C11H14N2","All.Compound.Names":"3-[ethyl(phenyl)amino]propanenitrile|Dtxsid4044587|148-87-8","logHenry":-4.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.025,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.878,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8058,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.19,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"148-87-8"}
{"Compound":"Fluanisone","CAS":"1480-19-9","CAS.Checksum":true,"DTXSID":"DTXSID4045711","Formula":"C21H25FN2O2","All.Compound.Names":"Fluanisone|Dtxsid4045711|1480-19-9","logHenry":-7.681,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.598,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.106,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.844,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.15,"MP.Reference":"EPA-CCD-OPERA","MW":356.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1480-19-9"}
{"Compound":"1-o-hexyl-2,3,5-trimethylhydroquinone","CAS":"148081-72-5","CAS.Checksum":true,"DTXSID":"DTXSID1020697","Formula":"C15H24O2","All.Compound.Names":"1-o-hexyl-2,3,5-trimethylhydroquinone|Dtxsid1020697|148081-72-5","logHenry":-5.361,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.104,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.625,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.627,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.44,"MP.Reference":"EPA-CCD-OPERA","MW":236.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"148081-72-5"}
{"Compound":"3-(triethoxysilyl)propane-1-thiol","CAS":"14814-09-6","CAS.Checksum":true,"DTXSID":"DTXSID7044479","Formula":"C9H22O3SSi","All.Compound.Names":"3-(triethoxysilyl)propane-1-thiol|Dtxsid7044479|14814-09-6","logHenry":-5.885,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.878,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.905,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.873,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.53,"MP.Reference":"EPA-CCD-OPERA","MW":238.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.07","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14814-09-6"}
{"Compound":"Phoxim","CAS":"14816-18-3","CAS.Checksum":true,"DTXSID":"DTXSID8034324","Formula":"C12H15N2O3PS","All.Compound.Names":"Phoxim|Dtxsid8034324|14816-18-3","logHenry":-6.693,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.956,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.486,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.967,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.167,"MP.Reference":"EPA-CCD-OPERA","MW":298.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14816-18-3"}
{"Compound":"Perisoxal citrate","CAS":"14838-45-0","CAS.Checksum":true,"DTXSID":"DTXSID8048816","Formula":"C22H28N2O9","All.Compound.Names":"Perisoxal citrate|Dtxsid8048816|14838-45-0","logHenry":-7.588,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8377,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.832,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.195,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.7,"MP.Reference":"EPA-CCD-OPERA","MW":464.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14838-45-0"}
{"Compound":"2-(piperidin-2-yl)ethanol","CAS":"1484-84-0","CAS.Checksum":true,"DTXSID":"DTXSID3044837","Formula":"C7H15NO","All.Compound.Names":"2-(piperidin-2-yl)ethanol|2-piperidineethanol|Dtxsid3044837|1484-84-0","logHenry":-7.069,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9202,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.678,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4422,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.1,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1484-84-0"}
{"Compound":"Pregabalin","CAS":"148553-50-8","CAS.Checksum":true,"DTXSID":"DTXSID1045950","Formula":"C8H17NO2","All.Compound.Names":"Pregabalin|148553-50-8|Dtxsid1045950","logHenry":-7.497,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.992,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.841,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.0581,"logWSol.Reference":"EPA-CCD-OPERA","MP":250.1,"MP.Reference":"EPA-CCD-OPERA","MW":159.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"148553-50-8"}
{"Compound":"Tetra-n-octylammonium bromide","CAS":"14866-33-2","CAS.Checksum":true,"DTXSID":"DTXSID7034042","Formula":"C32H68BrN","All.Compound.Names":"Tetra-n-octylammonium bromide|Dtxsid7034042|14866-33-2","logHenry":-6.117,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.072,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.61,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.016,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.6,"MP.Reference":"EPA-CCD-OPERA","MW":546.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14866-33-2"}
{"Compound":"Dihydroxymethoxychlor olefin","CAS":"14868-03-2","CAS.Checksum":true,"DTXSID":"DTXSID5022485","Formula":"C14H10Cl2O2","All.Compound.Names":"Dihydroxymethoxychlor olefin|Bis(4-hydroxyphenyl)-2,2-dichloroethylene|Dtxsid5022485|14868-03-2","logHenry":-9.666,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.417,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.736,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.666,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.3,"MP.Reference":"EPA-CCD-OPERA","MW":281.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14868-03-2"}
{"Compound":"Bismuth subsalicylate","CAS":"14882-18-9","CAS.Checksum":true,"DTXSID":"DTXSID6024622","Formula":"C7H5BiO4","All.Compound.Names":"Bismuth subsalicylate","MW":362.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14882-18-9"}
{"Compound":"Ivabradine hydrochloride","CAS":"148849-67-6","CAS.Checksum":true,"DTXSID":"DTXSID2046913","Formula":"C27H37ClN2O5","All.Compound.Names":"Ivabradine hydrochloride|Dtxsid2046913|148849-67-6","logHenry":-6.497,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.977,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.702,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.477,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.9,"MP.Reference":"EPA-CCD-OPERA","MW":505,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"148849-67-6"}
{"Compound":"Ipronidazole","CAS":"14885-29-1","CAS.Checksum":true,"DTXSID":"DTXSID7046839","Formula":"C7H11N3O2","All.Compound.Names":"Ipronidazole|Dtxsid7046839|14885-29-1","logHenry":-5.954,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.358,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.188,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.694,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.07,"MP.Reference":"EPA-CCD-OPERA","MW":169.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14885-29-1"}
{"Compound":"Cyclopropanecarboxaldehyde","CAS":"1489-69-6","CAS.Checksum":true,"DTXSID":"DTXSID0051736","Formula":"C4H6O","All.Compound.Names":"Cyclopropanecarboxaldehyde|Dtxsid0051736","logHenry":-4.278,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5974,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.201,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.08696,"logWSol.Reference":"EPA-CCD-OPERA","MP":-50.78,"MP.Reference":"EPA-CCD-OPERA","MW":70.09,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1489-69-6"}
{"Compound":"Butacaine","CAS":"149-16-6","CAS.Checksum":true,"DTXSID":"DTXSID3045300","Formula":"C18H30N2O2","All.Compound.Names":"Butacaine|Dtxsid3045300|149-16-6","logHenry":-8.886,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.031,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.134,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.191,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.38,"MP.Reference":"EPA-CCD-OPERA","MW":306.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"149-16-6"}
{"Compound":"Erythritol","CAS":"149-32-6","CAS.Checksum":true,"DTXSID":"DTXSID6043919","Formula":"C4H10O4","All.Compound.Names":"Erythritol|Dtxsid6043919|149-32-6","logHenry":-15.04,"logHenry.Reference":"OPERA29","logP":-2.29,"logP.Reference":"OPERA29","logWSol":0.69,"logWSol.Reference":"OPERA29","MP":121,"MP.Reference":"OPERA29","MW":122.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"149-32-6"}
{"Compound":"Sodium hydroxymethanesulfinate","CAS":"149-44-0","CAS.Checksum":true,"DTXSID":"DTXSID7027120","Formula":"CH3NaO3S","All.Compound.Names":"Sodium hydroxymethanesulfinate|Dtxsid7027120|149-44-0","logHenry":-7.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.35,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.944,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.537,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.8,"MP.Reference":"EPA-CCD-OPERA","MW":118.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"149-44-0"}
{"Compound":"Tiron","CAS":"149-45-1","CAS.Checksum":true,"DTXSID":"DTXSID7043950","Formula":"C6H4Na2O8S2","All.Compound.Names":"Tiron|Dtxsid7043950|149-45-1","logHenry":-11.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.988,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.62,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01585,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.2,"MP.Reference":"EPA-CCD-OPERA","MW":314.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"149-45-1"}
{"Compound":"2-ethylhexanoic acid","CAS":"149-57-5","CAS.Checksum":true,"DTXSID":"DTXSID9025293","Formula":"C8H16O2","All.Compound.Names":"2-ethylhexanoic acid|2-ethylhexanoic acid / 2-ethylcaproic acid|Dtxsid9025293|149-57-5","logHenry":-6.08,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.643,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.359,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.858,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.32,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.715","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0.1316,0.1085,0.1547","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"149-57-5"}
{"Compound":"Butylscopolammonium bromide","CAS":"149-64-4","CAS.Checksum":true,"DTXSID":"DTXSID1022718","Formula":"C21H30BrNO4","All.Compound.Names":"Butylscopolammonium bromide|Dtxsid1022718|149-64-4","logHenry":-7.699,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.87,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.58,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.597,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.7,"MP.Reference":"EPA-CCD-OPERA","MW":440.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"149-64-4"}
{"Compound":"Trimethoxymethane","CAS":"149-73-5","CAS.Checksum":true,"DTXSID":"DTXSID7027122","Formula":"C4H10O3","All.Compound.Names":"Trimethoxymethane|Dtxsid7027122","logHenry":-4.454,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2481,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.532,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3761,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.65,"MP.Reference":"EPA-CCD-OPERA","MW":106.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"149-73-5"}
{"Compound":"Gallic acid","CAS":"149-91-7","CAS.Checksum":true,"DTXSID":"DTXSID0020650","Formula":"C7H6O5","All.Compound.Names":"Gallic acid|Dtxsid0020650|149-91-7","logHenry":-10.37,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6994,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.482,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.159,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.6,"MP.Reference":"EPA-CCD-OPERA","MW":170.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"149-91-7"}
{"Compound":"Menthol","CAS":"1490-04-6","CAS.Checksum":true,"DTXSID":"DTXSID8029650","Formula":"C10H20O","All.Compound.Names":"Menthol|Dtxsid8029650|1490-04-6","logHenry":-4.779,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.343,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.774,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.22,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1490-04-6"}
{"Compound":"4-(2,6,6-trimethyl-cyclohex-1-enyl)-but-3-en-2-one","CAS":"14901-07-6","CAS.Checksum":true,"DTXSID":"DTXSID9025451","Formula":"C13H20O","All.Compound.Names":"4-(2,6,6-trimethyl-cyclohex-1-enyl)-but-3-en-2-one|Dtxsid9025451","logHenry":-3.492,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.945,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.619,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.054,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.34,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14901-07-6"}
{"Compound":"Pharmagsid_47259","CAS":"149062-75-9","CAS.Checksum":true,"DTXSID":"DTXSID9047259","Formula":"C13H15Cl3N2","All.Compound.Names":"Pharmagsid_47259|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1)|Dtxsid9047259|149062-75-9","logHenry":-7.553,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6115,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.597,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.242,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.6,"MP.Reference":"EPA-CCD-OPERA","MW":305.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"149062-75-9"}
{"Compound":"Oxymetazoline","CAS":"1491-59-4","CAS.Checksum":true,"DTXSID":"DTXSID3040691","Formula":"C16H24N2O","All.Compound.Names":"Oxymetazoline|1491-59-4|Dtxsid3040691","logHenry":-9.589,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.978,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.417,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.472,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.9,"MP.Reference":"EPA-CCD-OPERA","MW":260.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.11,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"1491-59-4"}
{"Compound":"Benserazide hydrochloride","CAS":"14919-77-8","CAS.Checksum":true,"DTXSID":"DTXSID0045412","Formula":"C10H16ClN3O5","All.Compound.Names":"Benserazide hydrochloride|Dtxsid0045412|14919-77-8","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.967,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.51,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.441,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.4,"MP.Reference":"EPA-CCD-OPERA","MW":293.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14919-77-8"}
{"Compound":"Glybuzole","CAS":"1492-02-0","CAS.Checksum":true,"DTXSID":"DTXSID6023103","Formula":"C12H15N3O2S2","All.Compound.Names":"Glybuzole|Dtxsid6023103|1492-02-0","logHenry":-7.302,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.658,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.155,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.992,"logWSol.Reference":"EPA-CCD-OPERA","MP":163,"MP.Reference":"EPA-CCD-OPERA","MW":297.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1492-02-0"}
{"Compound":"Cholesolvin","CAS":"14929-11-4","CAS.Checksum":true,"DTXSID":"DTXSID8057647","Formula":"C23H26Cl2O6","All.Compound.Names":"Cholesolvin|Dtxsid8057647","logHenry":-7.236,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.033,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.657,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.1,"MP.Reference":"EPA-CCD-OPERA","MW":469.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14929-11-4"}
{"Compound":"Trifluoromethanesulfonic acid","CAS":"1493-13-6","CAS.Checksum":true,"DTXSID":"DTXSID2044397","Formula":"CHF3O3S","All.Compound.Names":"Trifluoromethanesulfonic acid|Dtxsid2044397|1493-13-6","logHenry":-5.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.424,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.332,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4803,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.89,"MP.Reference":"EPA-CCD-OPERA","MW":150.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1493-13-6"}
{"Compound":"N-dodecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate","CAS":"14933-08-5","CAS.Checksum":true,"DTXSID":"DTXSID6049222","Formula":"C17H37NO3S","All.Compound.Names":"N-dodecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate|3-(dodecyldimethylammonio)propanesulfonate|Dtxsid6049222|14933-08-5","logHenry":-6.185,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.781,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.899,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.222,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.376,"MP.Reference":"EPA-CCD-OPERA","MW":335.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14933-08-5"}
{"Compound":"Chloramine t hydrate (1:x)","CAS":"149358-73-6","CAS.Checksum":true,"DTXSID":"DTXSID5044318","All.Compound.Names":"Chloramine t hydrate (1:x)","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"149358-73-6"}
{"Compound":"4-pentylphenol","CAS":"14938-35-3","CAS.Checksum":true,"DTXSID":"DTXSID9044164","Formula":"C11H16O","All.Compound.Names":"4-pentylphenol|Dtxsid9044164|14938-35-3","logHenry":-5.799,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.056,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.318,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.719,"logWSol.Reference":"EPA-CCD-OPERA","MP":23.7,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14938-35-3"}
{"Compound":"Fr150011","CAS":"149413-74-1","CAS.Checksum":true,"DTXSID":"DTXSID1048170","Formula":"C24H23NO4S","All.Compound.Names":"Fr150011|Dtxsid1048170|149413-74-1","logHenry":-9.645,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.389,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.868,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.894,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.1,"MP.Reference":"EPA-CCD-OPERA","MW":421.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"149413-74-1"}
{"Compound":"Methyl (2e)-non-2-enoate","CAS":"14952-06-8","CAS.Checksum":true,"DTXSID":"DTXSID3047637","Formula":"C10H18O2","All.Compound.Names":"Methyl (2e)-non-2-enoate|Methyl (2e)-2-nonenoate|Dtxsid3047637","logHenry":-3.594,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.577,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.482,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.301,"logWSol.Reference":"EPA-CCD-OPERA","MP":-54,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14952-06-8"}
{"Compound":"N,n'-penta-1,3-dien-1-yl-5-ylidenedianiline hydrochloride","CAS":"1497-49-0","CAS.Checksum":true,"DTXSID":"DTXSID7044398","Formula":"C17H17ClN2","All.Compound.Names":"N,n'-penta-1,3-dien-1-yl-5-ylidenedianiline hydrochloride|N-[5-(phenylimino)-1,3-pentadien-1-yl]aniline hydrochloride (1:1)|Dtxsid7044398|1497-49-0","logHenry":-5.352,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1311,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.515,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.673,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.4,"MP.Reference":"EPA-CCD-OPERA","MW":284.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1497-49-0"}
{"Compound":"2,2'-[ethane-1,2-diylbis(oxy)]diethanethiol","CAS":"14970-87-7","CAS.Checksum":true,"DTXSID":"DTXSID9044588","Formula":"C6H14O2S2","All.Compound.Names":"2,2'-[ethane-1,2-diylbis(oxy)]diethanethiol|Dtxsid9044588|14970-87-7","logHenry":-9.063,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.02,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.726,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.189,"logWSol.Reference":"EPA-CCD-OPERA","MP":-36.2,"MP.Reference":"EPA-CCD-OPERA","MW":182.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14970-87-7"}
{"Compound":"Clemastine fumarate","CAS":"14976-57-9","CAS.Checksum":true,"DTXSID":"DTXSID6047785","Formula":"C25H30ClNO5","All.Compound.Names":"Clemastine fumarate|Dtxsid6047785|14976-57-9","logHenry":-6.095,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6697,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.651,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.365,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.2,"MP.Reference":"EPA-CCD-OPERA","MW":460,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14976-57-9"}
{"Compound":"4-methyl-3-heptanol","CAS":"14979-39-6","CAS.Checksum":true,"DTXSID":"DTXSID0041519","Formula":"C8H18O","All.Compound.Names":"4-methyl-3-heptanol|Dtxsid0041519|14979-39-6","logHenry":-4.447,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.785,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.206,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.886,"logWSol.Reference":"EPA-CCD-OPERA","MP":-120.9,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14979-39-6"}
{"Compound":"Ethyl dichlorophosphate","CAS":"1498-51-7","CAS.Checksum":true,"DTXSID":"DTXSID3027407","Formula":"C2H5Cl2O2P","All.Compound.Names":"Ethyl dichlorophosphate|Dtxsid3027407","logHenry":-7.375,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.799,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.201,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.581,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.17,"MP.Reference":"EPA-CCD-OPERA","MW":162.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1498-51-7"}
{"Compound":"Doranidazole","CAS":"149838-23-3","CAS.Checksum":true,"DTXSID":"DTXSID3048817","Formula":"C8H13N3O6","All.Compound.Names":"Doranidazole|Dtxsid3048817|149838-23-3","logHenry":-8.033,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.469,"logP.Reference":"EPA-CCD-OPERA","logPwa":10,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5735,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.7,"MP.Reference":"EPA-CCD-OPERA","MW":247.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"149838-23-3"}
{"Compound":"Cloperastine hydrochloride","CAS":"14984-68-0","CAS.Checksum":true,"DTXSID":"DTXSID5045413","Formula":"C20H25Cl2NO","All.Compound.Names":"Cloperastine hydrochloride|Dtxsid5045413|14984-68-0","logHenry":-6.088,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8972,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.539,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.626,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.7,"MP.Reference":"EPA-CCD-OPERA","MW":366.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14984-68-0"}
{"Compound":"Saquinavir mesylate","CAS":"149845-06-7","CAS.Checksum":true,"DTXSID":"DTXSID9023835","Formula":"C39H54N6O8S","All.Compound.Names":"Saquinavir mesylate|Dtxsid9023835|149845-06-7","logHenry":-10.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.697,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.864,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.17,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.2,"MP.Reference":"EPA-CCD-OPERA","MW":767,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"149845-06-7"}
{"Compound":"Tiludronate disodium","CAS":"149845-07-8","CAS.Checksum":true,"DTXSID":"DTXSID1048621","Formula":"C7H7ClNa2O6P2S","All.Compound.Names":"Tiludronate disodium|Dtxsid1048621|149845-07-8","logHenry":-8.045,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3427,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.762,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7269,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.3,"MP.Reference":"EPA-CCD-OPERA","MW":362.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"149845-07-8"}
{"Compound":"(5)-methyl l-glutamate","CAS":"1499-55-4","CAS.Checksum":true,"DTXSID":"DTXSID2046171","Formula":"C6H11NO4","All.Compound.Names":"(5)-methyl l-glutamate|Dtxsid2046171|5-methyl hydrogen l-glutamate|1499-55-4","logHenry":-8.499,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.874,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.566,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6251,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.4,"MP.Reference":"EPA-CCD-OPERA","MW":161.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.7","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1499-55-4"}
{"Compound":"Sodium dibunate","CAS":"14992-59-7","CAS.Checksum":true,"DTXSID":"DTXSID8046905","Formula":"C18H23NaO3S","All.Compound.Names":"Sodium dibunate|Dtxsid8046905|14992-59-7","logHenry":-6.567,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.109,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.013,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.794,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.1,"MP.Reference":"EPA-CCD-OPERA","MW":342.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14992-59-7"}
{"Compound":"3-methoxyphenol","CAS":"150-19-6","CAS.Checksum":true,"DTXSID":"DTXSID0022012","Formula":"C7H8O2","All.Compound.Names":"3-methoxyphenol|Dtxsid0022012|150-19-6","logHenry":-7.232,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.342,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.62,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.358,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.97,"MP.Reference":"EPA-CCD-OPERA","MW":124.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"150-19-6"}
{"Compound":"Phenylalanine","CAS":"150-30-1","CAS.Checksum":true,"DTXSID":"DTXSID9023463","Formula":"C9H11NO2","All.Compound.Names":"Phenylalanine|Dl-phenylalanine|Dtxsid9023463|150-30-1","logHenry":-8.153,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.381,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8734,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.8,"MP.Reference":"EPA-CCD-OPERA","MW":165.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.48","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"150-30-1"}
{"Compound":"Boric acid, triethyl ester","CAS":"150-46-9","CAS.Checksum":true,"DTXSID":"DTXSID2041674","Formula":"C6H15BO3","All.Compound.Names":"Boric acid, triethyl ester|Triethyl borate|Dtxsid2041674","logHenry":-4.413,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.07,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.34,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.873,"logWSol.Reference":"EPA-CCD-OPERA","MP":-84.8,"MP.Reference":"EPA-CCD-OPERA","MW":146,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"150-46-9"}
{"Compound":"Dulcin","CAS":"150-69-6","CAS.Checksum":true,"DTXSID":"DTXSID9020580","Formula":"C9H12N2O2","All.Compound.Names":"Dulcin|Dtxsid9020580|150-69-6","logHenry":-8.847,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7946,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.4,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.165,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.5,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"14.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"150-69-6"}
{"Compound":"Hydroquinone dimethyl ether","CAS":"150-78-7","CAS.Checksum":true,"DTXSID":"DTXSID0022014","Formula":"C8H10O2","All.Compound.Names":"Hydroquinone dimethyl ether|Dtxsid0022014","logHenry":-5.193,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.043,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.39,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.611,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.86,"MP.Reference":"EPA-CCD-OPERA","MW":138.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"150-78-7"}
{"Compound":"5-methoxy-5-oxopentanoic acid","CAS":"1501-27-5","CAS.Checksum":true,"DTXSID":"DTXSID4044589","Formula":"C6H10O4","All.Compound.Names":"5-methoxy-5-oxopentanoic acid|Dtxsid4044589|1501-27-5","logHenry":-8.901,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2577,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.589,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.929,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.71,"MP.Reference":"EPA-CCD-OPERA","MW":146.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1501-27-5"}
{"Compound":"Rimantadine hydrochloride","CAS":"1501-84-4","CAS.Checksum":true,"DTXSID":"DTXSID1047813","Formula":"C12H22ClN","All.Compound.Names":"Rimantadine hydrochloride|Dtxsid1047813|1501-84-4","logHenry":-4.843,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.404,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.063,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.314,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.8,"MP.Reference":"EPA-CCD-OPERA","MW":215.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1501-84-4"}
{"Compound":"(-)-heroin hydrochloride","CAS":"1502-95-0","CAS.Checksum":true,"DTXSID":"DTXSID2048909","Formula":"C21H24ClNO5","All.Compound.Names":"(-)-heroin hydrochloride|Dtxsid2048909|1502-95-0","logHenry":-8.857,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5189,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.797,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.4,"MP.Reference":"EPA-CCD-OPERA","MW":405.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1502-95-0"}
{"Compound":"Relcovaptan","CAS":"150375-75-0","CAS.Checksum":true,"DTXSID":"DTXSID1045746","Formula":"C28H27Cl2N3O7S","All.Compound.Names":"Relcovaptan|Dtxsid1045746|150375-75-0","logHenry":-10.5,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.726,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.004,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.62,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.5,"MP.Reference":"EPA-CCD-OPERA","MW":620.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"150375-75-0"}
{"Compound":"Pemetrexed disodium","CAS":"150399-23-8","CAS.Checksum":true,"DTXSID":"DTXSID8046660","Formula":"C20H19N5Na2O6","All.Compound.Names":"Pemetrexed disodium|Dtxsid8046660|150399-23-8","logHenry":-10.85,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5339,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.568,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.7,"MP.Reference":"EPA-CCD-OPERA","MW":471.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"150399-23-8"}
{"Compound":"2-methoxycinnamaldehyde","CAS":"1504-74-1","CAS.Checksum":true,"DTXSID":"DTXSID2025551","Formula":"C10H10O2","All.Compound.Names":"2-methoxycinnamaldehyde|2'-methoxycinnamaldehyde|Dtxsid2025551","logHenry":-3.905,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.027,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.812,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.827,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.21,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1504-74-1"}
{"Compound":"Sodium 2-methylbenzenesulfonate","CAS":"15046-75-0","CAS.Checksum":true,"DTXSID":"DTXSID2044553","Formula":"C7H7NaO3S","All.Compound.Names":"Sodium 2-methylbenzenesulfonate|Dtxsid2044553|15046-75-0","logHenry":-7.872,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.505,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3184,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.98,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15046-75-0"}
{"Compound":"Dysprosium(iii) chloride hexahydrate","CAS":"15059-52-6","CAS.Checksum":true,"DTXSID":"DTXSID0051738","Formula":"Cl3DyH12O6","All.Compound.Names":"Dysprosium(iii) chloride hexahydrate","MW":376.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15059-52-6"}
{"Compound":"Oxybutynin chloride","CAS":"1508-65-2","CAS.Checksum":true,"DTXSID":"DTXSID3045356","Formula":"C22H32ClNO3","All.Compound.Names":"Oxybutynin chloride|Oxybutynin hydrochloride|Dtxsid3045356|1508-65-2","logHenry":-7.653,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.124,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.826,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.835,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.6,"MP.Reference":"EPA-CCD-OPERA","MW":394,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1508-65-2"}
{"Compound":"Tropicamide","CAS":"1508-75-4","CAS.Checksum":true,"DTXSID":"DTXSID8045220","Formula":"C17H20N2O2","All.Compound.Names":"Tropicamide|Dtxsid8045220|1508-75-4","logHenry":-9.629,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.617,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.227,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.658,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.54,"MP.Reference":"EPA-CCD-OPERA","MW":284.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1508-75-4"}
{"Compound":"Procyclidine hydrochloride","CAS":"1508-76-5","CAS.Checksum":true,"DTXSID":"DTXSID8045357","Formula":"C19H30ClNO","All.Compound.Names":"Procyclidine hydrochloride|Dtxsid8045357|1508-76-5","logHenry":-6.543,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.141,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.968,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.183,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.6,"MP.Reference":"EPA-CCD-OPERA","MW":323.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1508-76-5"}
{"Compound":"(e)-nitenpyram","CAS":"150824-47-8","CAS.Checksum":true,"DTXSID":"DTXSID8041080","Formula":"C11H15ClN4O2","All.Compound.Names":"(e)-nitenpyram|Dtxsid8041080|150824-47-8","logHenry":-7.983,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6585,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.171,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4074,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.85,"MP.Reference":"EPA-CCD-OPERA","MW":270.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"150824-47-8"}
{"Compound":"L-alloisoleucine","CAS":"1509-34-8","CAS.Checksum":true,"DTXSID":"DTXSID3046530","Formula":"C6H13NO2","All.Compound.Names":"L-alloisoleucine|Dtxsid3046530|1509-34-8","logHenry":-6.272,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.719,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5837,"logWSol.Reference":"EPA-CCD-OPERA","MP":288.9,"MP.Reference":"EPA-CCD-OPERA","MW":131.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.73","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1509-34-8"}
{"Compound":"Sodium triphosphate hydrate (5:1:6)","CAS":"15091-98-2","CAS.Checksum":true,"DTXSID":"DTXSID9046605","Formula":"H12Na5O16P3","All.Compound.Names":"Sodium triphosphate hydrate (5:1:6)","MW":476,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15091-98-2"}
{"Compound":"Tirofiban hydrochloride monohydrate","CAS":"150915-40-5","CAS.Checksum":true,"DTXSID":"DTXSID5048635","Formula":"C22H39ClN2O6S","All.Compound.Names":"Tirofiban hydrochloride monohydrate|Dtxsid5048635|150915-40-5","logHenry":-7.696,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.471,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.885,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.882,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.6,"MP.Reference":"EPA-CCD-OPERA","MW":495.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"150915-40-5"}
{"Compound":"Dimethylbenzylcarbinyl acetate","CAS":"151-05-3","CAS.Checksum":true,"DTXSID":"DTXSID3041877","Formula":"C12H16O2","All.Compound.Names":"Dimethylbenzylcarbinyl acetate|Dtxsid3041877","logHenry":-4.022,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.468,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.75,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.38,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"151-05-3"}
{"Compound":"Chlorphentermine hydrochloride","CAS":"151-06-4","CAS.Checksum":true,"DTXSID":"DTXSID1047815","Formula":"C10H15Cl2N","All.Compound.Names":"Chlorphentermine hydrochloride|Dtxsid1047815|151-06-4","logHenry":-6.245,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8924,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.284,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.051,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.8,"MP.Reference":"EPA-CCD-OPERA","MW":220.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"151-06-4"}
{"Compound":"1,3-dimethoxybenzene","CAS":"151-10-0","CAS.Checksum":true,"DTXSID":"DTXSID2047060","Formula":"C8H10O2","All.Compound.Names":"1,3-dimethoxybenzene|Dtxsid2047060","logHenry":-5.021,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.21,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.218,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.59,"logWSol.Reference":"EPA-CCD-OPERA","MP":-50.25,"MP.Reference":"EPA-CCD-OPERA","MW":138.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"151-10-0"}
{"Compound":"Sodium dodecyl sulfate","CAS":"151-21-3","CAS.Checksum":true,"DTXSID":"DTXSID1026031","Formula":"C12H25NaO4S","All.Compound.Names":"Sodium dodecyl sulfate|Dtxsid1026031|151-21-3","logHenry":-6.633,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.598,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.116,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.229,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.3,"MP.Reference":"EPA-CCD-OPERA","MW":288.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"151-21-3"}
{"Compound":"Halothane","CAS":"151-67-7","CAS.Checksum":true,"DTXSID":"DTXSID4025371","Formula":"C2HBrClF3","All.Compound.Names":"Halothane|Dtxsid4025371","logHenry":-1.692,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.301,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.04068,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.699,"logWSol.Reference":"EPA-CCD-OPERA","MP":-118,"MP.Reference":"EPA-CCD-OPERA","MW":197.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"151-67-7"}
{"Compound":"Betamethasone 21-phosphate disodium","CAS":"151-73-5","CAS.Checksum":true,"DTXSID":"DTXSID8047137","Formula":"C22H28FNa2O8P","All.Compound.Names":"Betamethasone 21-phosphate disodium|Dtxsid8047137|151-73-5","logHenry":-10.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9792,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.47,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9128,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.7,"MP.Reference":"EPA-CCD-OPERA","MW":516.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.85","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"151-73-5"}
{"Compound":"2-(2-nitrophenyl)ethanol","CAS":"15121-84-3","CAS.Checksum":true,"DTXSID":"DTXSID2025763","Formula":"C8H9NO3","All.Compound.Names":"2-(2-nitrophenyl)ethanol|Dtxsid2025763|15121-84-3","logHenry":-8.503,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.317,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.397,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.849,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.098,"MP.Reference":"EPA-CCD-OPERA","MW":167.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15121-84-3"}
{"Compound":"Tobicillin","CAS":"151287-22-8","CAS.Checksum":true,"DTXSID":"DTXSID3057648","Formula":"C27H30N2O6S","All.Compound.Names":"Tobicillin|Dtxsid3057648|151287-22-8","logHenry":-10.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.54,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.636,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.481,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.8,"MP.Reference":"EPA-CCD-OPERA","MW":510.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"151287-22-8"}
{"Compound":"2-butyl-1h-isoindole-1,3(2h)-dione","CAS":"1515-72-6","CAS.Checksum":true,"DTXSID":"DTXSID8044591","Formula":"C12H13NO2","All.Compound.Names":"2-butyl-1h-isoindole-1,3(2h)-dione|Dtxsid8044591|1515-72-6","logHenry":-5.658,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9227,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.596,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.937,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.94,"MP.Reference":"EPA-CCD-OPERA","MW":203.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1515-72-6"}
{"Compound":"Fr140423","CAS":"151506-44-4","CAS.Checksum":true,"DTXSID":"DTXSID6048175","Formula":"C18H16F2N2O2S","All.Compound.Names":"Fr140423|Difpas-pyrazole|Dtxsid6048175|151506-44-4","logHenry":-5.519,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.75,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.961,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.131,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.6,"MP.Reference":"EPA-CCD-OPERA","MW":362.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"151506-44-4"}
{"Compound":"Dichlorprop-p","CAS":"15165-67-0","CAS.Checksum":true,"DTXSID":"DTXSID0034851","Formula":"C9H8Cl2O3","All.Compound.Names":"Dichlorprop-p|Dtxsid0034851|15165-67-0","logHenry":-8.521,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.827,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.369,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.707,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.1,"MP.Reference":"EPA-CCD-OPERA","MW":235.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15165-67-0"}
{"Compound":"Potassium 1-naphthaleneacetate","CAS":"15165-79-4","CAS.Checksum":true,"DTXSID":"DTXSID2034833","Formula":"C12H9KO2","All.Compound.Names":"Potassium 1-naphthaleneacetate|Dtxsid2034833|15165-79-4","logHenry":-7.759,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9805,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.2,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.458,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.4,"MP.Reference":"EPA-CCD-OPERA","MW":224.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15165-79-4"}
{"Compound":"Edoxudine","CAS":"15176-29-1","CAS.Checksum":true,"DTXSID":"DTXSID4045890","Formula":"C11H16N2O5","All.Compound.Names":"Edoxudine|Dtxsid4045890|15176-29-1","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7082,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.954,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.501,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.7,"MP.Reference":"EPA-CCD-OPERA","MW":256.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15176-29-1"}
{"Compound":"Montelukast sodium","CAS":"151767-02-1","CAS.Checksum":true,"DTXSID":"DTXSID8046450","Formula":"C35H35ClNNaO3S","All.Compound.Names":"Montelukast sodium|Dtxsid8046450|151767-02-1","logHenry":-7.595,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.446,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2925,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.24,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.5,"MP.Reference":"EPA-CCD-OPERA","MW":608.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"151767-02-1"}
{"Compound":"Alcuronium chloride","CAS":"15180-03-7","CAS.Checksum":true,"DTXSID":"DTXSID0045414","Formula":"C44H50Cl2N4O2","All.Compound.Names":"Alcuronium chloride|Dtxsid0045414|15180-03-7","logHenry":-7.538,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.843,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.906,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.195,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.3,"MP.Reference":"EPA-CCD-OPERA","MW":737.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15180-03-7"}
{"Compound":"Levallorphan","CAS":"152-02-3","CAS.Checksum":true,"DTXSID":"DTXSID9023205","Formula":"C19H25NO","All.Compound.Names":"Levallorphan|Dtxsid9023205|152-02-3","logHenry":-9.024,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.481,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.333,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.552,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.1,"MP.Reference":"EPA-CCD-OPERA","MW":283.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"152-02-3"}
{"Compound":"Verapamil hydrochloride","CAS":"152-11-4","CAS.Checksum":true,"DTXSID":"DTXSID2034095","Formula":"C27H39ClN2O4","All.Compound.Names":"Verapamil hydrochloride|Dtxsid2034095|152-11-4","logHenry":-6.329,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.288,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.4,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.531,"logWSol.Reference":"EPA-CCD-OPERA","MP":115.4,"MP.Reference":"EPA-CCD-OPERA","MW":491.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"152-11-4"}
{"Compound":"Quinestrol","CAS":"152-43-2","CAS.Checksum":true,"DTXSID":"DTXSID6046553","Formula":"C25H32O2","All.Compound.Names":"Quinestrol|Dtxsid6046553|152-43-2","logHenry":-7.146,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.118,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.328,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.815,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.1,"MP.Reference":"EPA-CCD-OPERA","MW":364.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"152-43-2"}
{"Compound":"Sulfalene","CAS":"152-47-6","CAS.Checksum":true,"DTXSID":"DTXSID2046179","Formula":"C11H12N4O3S","All.Compound.Names":"Sulfalene|Dtxsid2046179|152-47-6","logHenry":-9.815,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.701,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.497,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.657,"logWSol.Reference":"EPA-CCD-OPERA","MP":176,"MP.Reference":"EPA-CCD-OPERA","MW":280.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"152-47-6"}
{"Compound":"Cycloguanil hydrochloride","CAS":"152-53-4","CAS.Checksum":true,"DTXSID":"DTXSID7049053","Formula":"C11H15Cl2N5","All.Compound.Names":"Cycloguanil hydrochloride|Dtxsid7049053|152-53-4","logHenry":-9.704,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1738,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.349,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.994,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.4,"MP.Reference":"EPA-CCD-OPERA","MW":288.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"152-53-4"}
{"Compound":"Cortodoxone","CAS":"152-58-9","CAS.Checksum":true,"DTXSID":"DTXSID8045642","Formula":"C21H30O4","All.Compound.Names":"Cortodoxone|Dtxsid8045642|152-58-9","logHenry":-9.219,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.075,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.278,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.828,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.9,"MP.Reference":"EPA-CCD-OPERA","MW":346.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"152-58-9"}
{"Compound":"Dydrogesterone","CAS":"152-62-5","CAS.Checksum":true,"DTXSID":"DTXSID1022974","Formula":"C21H28O2","All.Compound.Names":"Dydrogesterone|152-62-5|Dtxsid1022974","logHenry":-5.877,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.66,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.073,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.524,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.9,"MP.Reference":"EPA-CCD-OPERA","MW":312.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.28,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"152-62-5"}
{"Compound":"Metolachlor oa","CAS":"152019-73-3","CAS.Checksum":true,"DTXSID":"DTXSID6037568","Formula":"C15H21NO4","All.Compound.Names":"Metolachlor oa|Dtxsid6037568|152019-73-3","logHenry":-8.081,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.613,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.137,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.093,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.8,"MP.Reference":"EPA-CCD-OPERA","MW":279.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"152019-73-3"}
{"Compound":"2-acrylamido-2-methyl-1-propanesulfonic acid","CAS":"15214-89-8","CAS.Checksum":true,"DTXSID":"DTXSID5027770","Formula":"C7H13NO4S","All.Compound.Names":"2-acrylamido-2-methyl-1-propanesulfonic acid|Dtxsid5027770|15214-89-8","logHenry":-8.873,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.803,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.158,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5073,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.9,"MP.Reference":"EPA-CCD-OPERA","MW":207.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15214-89-8"}
{"Compound":"3-bromo-2,2-bis(bromomethyl)propanol","CAS":"1522-92-5","CAS.Checksum":true,"DTXSID":"DTXSID9024641","Formula":"C5H9Br3O","All.Compound.Names":"3-bromo-2,2-bis(bromomethyl)propanol|Dtxsid9024641|1522-92-5","logHenry":-6.929,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.812,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.684,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.15,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.41,"MP.Reference":"EPA-CCD-OPERA","MW":324.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1522-92-5"}
{"Compound":"1,4-benzenediamine, n-(1-methylheptyl)-n'-phenyl-","CAS":"15233-47-3","CAS.Checksum":true,"DTXSID":"DTXSID0027771","Formula":"C20H28N2","All.Compound.Names":"1,4-benzenediamine, n-(1-methylheptyl)-n'-phenyl-|N-(1-methylheptyl)-n'-phenyl-1,4-benzenediamine|Dtxsid0027771|15233-47-3","logHenry":-6.481,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.61,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.801,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.237,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.15,"MP.Reference":"EPA-CCD-OPERA","MW":296.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15233-47-3"}
{"Compound":"Flurandrenolide","CAS":"1524-88-5","CAS.Checksum":true,"DTXSID":"DTXSID2047434","Formula":"C24H33FO6","All.Compound.Names":"Flurandrenolide|Dtxsid2047434|1524-88-5","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.695,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.811,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.496,"logWSol.Reference":"EPA-CCD-OPERA","MP":258.4,"MP.Reference":"EPA-CCD-OPERA","MW":436.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1524-88-5"}
{"Compound":"Testosterone isocaproate","CAS":"15262-86-9","CAS.Checksum":true,"DTXSID":"DTXSID0046806","Formula":"C25H38O3","All.Compound.Names":"Testosterone isocaproate|Dtxsid0046806","logHenry":-6.844,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.702,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.036,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.333,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.1,"MP.Reference":"EPA-CCD-OPERA","MW":386.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15262-86-9"}
{"Compound":"Sevelamer hydrochloride","CAS":"152751-57-0","CAS.Checksum":true,"DTXSID":"DTXSID0048630","All.Compound.Names":"Sevelamer hydrochloride","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"152751-57-0"}
{"Compound":"(+)-epibatidine hydrochloride","CAS":"152885-09-1","CAS.Checksum":true,"DTXSID":"DTXSID4048939","Formula":"C11H14Cl2N2","All.Compound.Names":"(+)-epibatidine hydrochloride|Dtxsid4048939|152885-09-1","logHenry":-7.212,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6334,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.863,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.138,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.5,"MP.Reference":"EPA-CCD-OPERA","MW":245.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"152885-09-1"}
{"Compound":"Nolatrexed dihydrochloride","CAS":"152946-68-4","CAS.Checksum":true,"DTXSID":"DTXSID4046810","Formula":"C14H14Cl2N4OS","All.Compound.Names":"Nolatrexed dihydrochloride|Dtxsid4046810|152946-68-4","logHenry":-9.047,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.347,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.67,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.739,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.4,"MP.Reference":"EPA-CCD-OPERA","MW":357.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"152946-68-4"}
{"Compound":"Rutin trihydrate","CAS":"153-18-4","CAS.Checksum":true,"DTXSID":"DTXSID3022326","Formula":"C27H30O16","All.Compound.Names":"Rutin trihydrate|Rutin|Dtxsid3022326|153-18-4","logHenry":-10.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1341,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.735,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.477,"logWSol.Reference":"EPA-CCD-OPERA","MP":224,"MP.Reference":"EPA-CCD-OPERA","MW":610.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"153-18-4"}
{"Compound":"2-aminofluorene","CAS":"153-78-6","CAS.Checksum":true,"DTXSID":"DTXSID1049223","Formula":"C13H11N","All.Compound.Names":"2-aminofluorene|Dtxsid1049223|153-78-6","logHenry":-7.113,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.14,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.191,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.18,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.7,"MP.Reference":"EPA-CCD-OPERA","MW":181.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"153-78-6"}
{"Compound":"D-tryptophan","CAS":"153-94-6","CAS.Checksum":true,"DTXSID":"DTXSID0046989","Formula":"C11H12N2O2","All.Compound.Names":"D-tryptophan|Dtxsid0046989|153-94-6","logHenry":-10.36,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.047,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.58,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.199,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.1,"MP.Reference":"EPA-CCD-OPERA","MW":204.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"153-94-6"}
{"Compound":"Actinoquinol","CAS":"15301-40-3","CAS.Checksum":true,"DTXSID":"DTXSID4046521","Formula":"C11H11NO4S","All.Compound.Names":"Actinoquinol|Dtxsid4046521|15301-40-3","logHenry":-8.982,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.38,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.804,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.841,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.5,"MP.Reference":"EPA-CCD-OPERA","MW":253.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15301-40-3"}
{"Compound":"Formetorex","CAS":"15302-18-8","CAS.Checksum":true,"DTXSID":"DTXSID6046135","Formula":"C10H13NO","All.Compound.Names":"Formetorex|Dtxsid6046135|15302-18-8","logHenry":-7.85,"logHenry.Reference":"OPERA29","logP":1.19,"logP.Reference":"OPERA29","logPwa":7.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.85,"logWSol.Reference":"OPERA29","MP":105,"MP.Reference":"OPERA29","MW":163.1,"MW.Reference":"OPERA29","pKa_Donor":"9.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"OPERA29","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15302-18-8"}
{"Compound":"Pleconaril","CAS":"153168-05-9","CAS.Checksum":true,"DTXSID":"DTXSID8057649","Formula":"C18H18F3N3O3","All.Compound.Names":"Pleconaril|Dtxsid8057649|153168-05-9","logHenry":-5.803,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.481,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.443,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.553,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.73,"MP.Reference":"EPA-CCD-OPERA","MW":381.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"153168-05-9"}
{"Compound":"Thiamphenicol","CAS":"15318-45-3","CAS.Checksum":true,"DTXSID":"DTXSID5021338","Formula":"C12H15Cl2NO5S","All.Compound.Names":"Thiamphenicol|Dtxsid5021338|15318-45-3","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.27,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.54,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.051,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.3,"MP.Reference":"EPA-CCD-OPERA","MW":356.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15318-45-3"}
{"Compound":"Ethenyl[tris(prop-1-en-2-yloxy)]silane","CAS":"15332-99-7","CAS.Checksum":true,"DTXSID":"DTXSID3044839","Formula":"C11H18O3Si","All.Compound.Names":"Ethenyl[tris(prop-1-en-2-yloxy)]silane|Dtxsid3044839","logHenry":-2.176,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.069,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.149,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.023,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.04,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15332-99-7"}
{"Compound":"Fexofenadine hydrochloride","CAS":"153439-40-8","CAS.Checksum":true,"DTXSID":"DTXSID5048716","Formula":"C32H40ClNO4","All.Compound.Names":"Fexofenadine hydrochloride|Dtxsid5048716|153439-40-8","logHenry":-7.614,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.283,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.171,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.257,"logWSol.Reference":"EPA-CCD-OPERA","MP":208.9,"MP.Reference":"EPA-CCD-OPERA","MW":538.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.78","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"153439-40-8"}
{"Compound":"Desmethoxyyangonin","CAS":"15345-89-8","CAS.Checksum":true,"DTXSID":"DTXSID4033390","Formula":"C14H12O3","All.Compound.Names":"Desmethoxyyangonin|Dtxsid4033390","logHenry":-6.672,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.861,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.154,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.967,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.4,"MP.Reference":"EPA-CCD-OPERA","MW":228.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15345-89-8"}
{"Compound":"Metamfepramone","CAS":"15351-09-4","CAS.Checksum":true,"DTXSID":"DTXSID7057650","Formula":"C11H15NO","All.Compound.Names":"Metamfepramone|Dtxsid7057650|15351-09-4","logHenry":-5.948,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.257,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.466,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.152,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.299,"MP.Reference":"EPA-CCD-OPERA","MW":177.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15351-09-4"}
{"Compound":"Nicofuranose","CAS":"15351-13-0","CAS.Checksum":true,"DTXSID":"DTXSID6023365","Formula":"C30H24N4O10","All.Compound.Names":"Nicofuranose|Dtxsid6023365|15351-13-0","logHenry":-8.306,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.352,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.217,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.469,"logWSol.Reference":"EPA-CCD-OPERA","MP":141,"MP.Reference":"EPA-CCD-OPERA","MW":600.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15351-13-0"}
{"Compound":"Bexarotene","CAS":"153559-49-0","CAS.Checksum":true,"DTXSID":"DTXSID1040619","Formula":"C24H28O2","All.Compound.Names":"Bexarotene|Dtxsid1040619|153559-49-0","logHenry":-8.228,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.517,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.972,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.183,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.2,"MP.Reference":"EPA-CCD-OPERA","MW":348.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"153559-49-0"}
{"Compound":"(1s,2r,5s)-(+)-menthol","CAS":"15356-60-2","CAS.Checksum":true,"DTXSID":"DTXSID8029733","Formula":"C10H20O","All.Compound.Names":"(1s,2r,5s)-(+)-menthol|Dtxsid8029733|15356-60-2","logHenry":-4.779,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.343,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.774,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.22,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15356-60-2"}
{"Compound":"1-(2,6-dichlorophenyl)-2-indolinone","CAS":"15362-40-0","CAS.Checksum":true,"DTXSID":"DTXSID6046979","Formula":"C14H9Cl2NO","All.Compound.Names":"1-(2,6-dichlorophenyl)-2-indolinone|Dtxsid6046979|15362-40-0","logHenry":-7.575,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.884,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.565,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.569,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.3,"MP.Reference":"EPA-CCD-OPERA","MW":278.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-1.52","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15362-40-0"}
{"Compound":"Benzathine penicillin g","CAS":"1538-09-6","CAS.Checksum":true,"DTXSID":"DTXSID2047804","Formula":"C48H56N6O8S2","All.Compound.Names":"Benzathine penicillin g|Dtxsid2047804|1538-09-6","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8629,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.6,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.476,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.5,"MP.Reference":"EPA-CCD-OPERA","MW":909.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1538-09-6"}
{"Compound":"Fezatione","CAS":"15387-18-5","CAS.Checksum":true,"DTXSID":"DTXSID9048801","Formula":"C17H14N2S2","All.Compound.Names":"Fezatione|Dtxsid9048801|15387-18-5","logHenry":-6.95,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.101,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.723,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.406,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.4,"MP.Reference":"EPA-CCD-OPERA","MW":310.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15387-18-5"}
{"Compound":"Phenylpropanolamine hydrochloride","CAS":"154-41-6","CAS.Checksum":true,"DTXSID":"DTXSID2025896","Formula":"C9H14ClNO","All.Compound.Names":"Phenylpropanolamine hydrochloride|Alpha-(1-aminoethyl)benzyl alcohol hydrochloride|Dtxsid2025896|154-41-6","logHenry":-7.285,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.441,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.299,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8783,"logWSol.Reference":"EPA-CCD-OPERA","MP":221.8,"MP.Reference":"EPA-CCD-OPERA","MW":187.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"154-41-6"}
{"Compound":"Simetride","CAS":"154-82-5","CAS.Checksum":true,"DTXSID":"DTXSID2057651","Formula":"C28H38N2O6","All.Compound.Names":"Simetride|Dtxsid2057651|154-82-5","logHenry":-7.465,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.016,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.662,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.295,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.3,"MP.Reference":"EPA-CCD-OPERA","MW":498.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"154-82-5"}
{"Compound":"Cocarboxylase chloride","CAS":"154-87-0","CAS.Checksum":true,"DTXSID":"DTXSID6046262","Formula":"C12H19ClN4O7P2S","All.Compound.Names":"Cocarboxylase chloride|Dtxsid6046262|Thiamine diphosphate|154-87-0","logHenry":-9.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8547,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.606,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.132,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.8,"MP.Reference":"EPA-CCD-OPERA","MW":460.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"154-87-0"}
{"Compound":"Lauryldiethanolamine","CAS":"1541-67-9","CAS.Checksum":true,"DTXSID":"DTXSID4042090","Formula":"C16H35NO2","All.Compound.Names":"Lauryldiethanolamine|Dtxsid4042090|1541-67-9","logHenry":-8.727,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.025,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.006,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.677,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.62,"MP.Reference":"EPA-CCD-OPERA","MW":273.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1541-67-9"}
{"Compound":"4-dodecylmorpholine","CAS":"1541-81-7","CAS.Checksum":true,"DTXSID":"DTXSID4042171","Formula":"C16H33NO","All.Compound.Names":"4-dodecylmorpholine|Dtxsid4042171|1541-81-7","logHenry":-6.223,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.21,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.792,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.239,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.71,"MP.Reference":"EPA-CCD-OPERA","MW":255.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1541-81-7"}
{"Compound":"Trapidil","CAS":"15421-84-8","CAS.Checksum":true,"DTXSID":"DTXSID0045416","Formula":"C10H15N5","All.Compound.Names":"Trapidil|15421-84-8|Dtxsid0045416","logHenry":-5.888,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.45,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.872,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.957,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.59,"MP.Reference":"EPA-CCD-OPERA","MW":205.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.46","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.96,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"15421-84-8"}
{"Compound":"Abiraterone acetate","CAS":"154229-18-2","CAS.Checksum":true,"DTXSID":"DTXSID3049043","Formula":"C26H33NO2","All.Compound.Names":"Abiraterone acetate|Dtxsid3049043|154229-18-2","logHenry":-7.228,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.937,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.766,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.433,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.4,"MP.Reference":"EPA-CCD-OPERA","MW":391.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.29","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"154229-18-2"}
{"Compound":"Capecitabine","CAS":"154361-50-9","CAS.Checksum":true,"DTXSID":"DTXSID3046451","Formula":"C15H22FN3O6","All.Compound.Names":"Capecitabine|154361-50-9|Dtxsid3046451","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.01778,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.275,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.061,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.7,"MP.Reference":"EPA-CCD-OPERA","MW":359.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"154361-50-9"}
{"Compound":"Fluorodifen","CAS":"15457-05-3","CAS.Checksum":true,"DTXSID":"DTXSID7037553","Formula":"C13H7F3N2O5","All.Compound.Names":"Fluorodifen|Dtxsid7037553|15457-05-3","logHenry":-5.415,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.649,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.154,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.218,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.98,"MP.Reference":"EPA-CCD-OPERA","MW":328.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15457-05-3"}
{"Compound":"Efavirenz","CAS":"154598-52-4","CAS.Checksum":true,"DTXSID":"DTXSID9046029","Formula":"C14H9ClF3NO2","All.Compound.Names":"Efavirenz|154598-52-4|Dtxsid9046029","logHenry":-8.835,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.865,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.503,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.599,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.4,"MP.Reference":"EPA-CCD-OPERA","MW":315.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.425,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"154598-52-4"}
{"Compound":"4-butylchlorobenzene","CAS":"15499-27-1","CAS.Checksum":true,"DTXSID":"DTXSID9048192","Formula":"C10H13Cl","All.Compound.Names":"4-butylchlorobenzene|Dtxsid9048192","logHenry":-3.141,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.934,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.922,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.488,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.998,"MP.Reference":"EPA-CCD-OPERA","MW":168.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15499-27-1"}
{"Compound":"Scopolamine methylbromide","CAS":"155-41-9","CAS.Checksum":true,"DTXSID":"DTXSID2040608","Formula":"C18H24BrNO4","All.Compound.Names":"Scopolamine methylbromide|N-methylhyoscinium bromide|Dtxsid2040608|(-)-scopolamine methobromide|155-41-9","logHenry":-9.321,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.314,"logP.Reference":"EPA-CCD-OPERA","logPwa":13.02,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.813,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.8,"MP.Reference":"EPA-CCD-OPERA","MW":398.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"155-41-9"}
{"Compound":"Rosiglitazone maleate","CAS":"155141-29-0","CAS.Checksum":true,"DTXSID":"DTXSID2023569","Formula":"C22H23N3O7S","All.Compound.Names":"Rosiglitazone maleate|Dtxsid2023569|155141-29-0","logHenry":-8.689,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.676,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.592,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.602,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.6,"MP.Reference":"EPA-CCD-OPERA","MW":473.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"155141-29-0"}
{"Compound":"Myralact","CAS":"15518-87-3","CAS.Checksum":true,"DTXSID":"DTXSID8046400","Formula":"C19H41NO4","All.Compound.Names":"Myralact|Dtxsid8046400|15518-87-3","logHenry":-6.767,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4454,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.971,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.285,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.5,"MP.Reference":"EPA-CCD-OPERA","MW":347.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15518-87-3"}
{"Compound":"Crystal violet lactone","CAS":"1552-42-7","CAS.Checksum":true,"DTXSID":"DTXSID8024866","Formula":"C26H29N3O2","All.Compound.Names":"Crystal violet lactone|Dtxsid8024866|1552-42-7","logHenry":-7.241,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.346,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.333,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.103,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.7,"MP.Reference":"EPA-CCD-OPERA","MW":415.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.11","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1552-42-7"}
{"Compound":"1,5-pentanediamine, 2-methyl-","CAS":"15520-10-2","CAS.Checksum":true,"DTXSID":"DTXSID5027772","Formula":"C6H16N2","All.Compound.Names":"1,5-pentanediamine, 2-methyl-|2-methylpentanediamine|Dtxsid5027772|15520-10-2","logHenry":-8.529,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1065,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.345,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5956,"logWSol.Reference":"EPA-CCD-OPERA","MP":36.62,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15520-10-2"}
{"Compound":"Istradefylline","CAS":"155270-99-8","CAS.Checksum":true,"DTXSID":"DTXSID7057652","Formula":"C20H24N4O4","All.Compound.Names":"Istradefylline|Dtxsid7057652|155270-99-8","logHenry":-8.64,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.721,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.959,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.802,"logWSol.Reference":"EPA-CCD-OPERA","MP":127.6,"MP.Reference":"EPA-CCD-OPERA","MW":384.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"155270-99-8"}
{"Compound":"Metixene hydrochloride","CAS":"1553-34-0","CAS.Checksum":true,"DTXSID":"DTXSID8045359","Formula":"C20H24ClNS","All.Compound.Names":"Metixene hydrochloride|Dtxsid8045359|1553-34-0","logHenry":-5.069,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.45,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.922,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.475,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.3,"MP.Reference":"EPA-CCD-OPERA","MW":345.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1553-34-0"}
{"Compound":"Ibufenac","CAS":"1553-60-2","CAS.Checksum":true,"DTXSID":"DTXSID0044107","Formula":"C12H16O2","All.Compound.Names":"Ibufenac|Dtxsid0044107|1553-60-2","logHenry":-7.057,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.35,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.256,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.265,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.74,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1553-60-2"}
{"Compound":"1-ethyl-3-methylimidazolium hexafluorophosphate","CAS":"155371-19-0","CAS.Checksum":true,"DTXSID":"DTXSID8047921","Formula":"C6H11F6N2P","All.Compound.Names":"1-ethyl-3-methylimidazolium hexafluorophosphate|Dtxsid8047921|155371-19-0","logHenry":-2.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7188,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.427,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01646,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.6,"MP.Reference":"EPA-CCD-OPERA","MW":256.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"155371-19-0"}
{"Compound":"Mecarbinate","CAS":"15574-49-9","CAS.Checksum":true,"DTXSID":"DTXSID9046289","Formula":"C13H15NO3","All.Compound.Names":"Mecarbinate|Dtxsid9046289|15574-49-9","logHenry":-9.544,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.566,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.387,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.79,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.12,"MP.Reference":"EPA-CCD-OPERA","MW":233.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15574-49-9"}
{"Compound":"Pizotyline","CAS":"15574-96-6","CAS.Checksum":true,"DTXSID":"DTXSID6023490","Formula":"C19H21NS","All.Compound.Names":"Pizotyline|15574-96-6|Dtxsid6023490","logHenry":-5.581,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.365,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.228,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.612,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.17,"MP.Reference":"EPA-CCD-OPERA","MW":295.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.78,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"15574-96-6"}
{"Compound":"3,6,9,12-tetraoxahexadecan-1-ol","CAS":"1559-34-8","CAS.Checksum":true,"DTXSID":"DTXSID2027412","Formula":"C12H26O5","All.Compound.Names":"3,6,9,12-tetraoxahexadecan-1-ol|Dtxsid2027412|1559-34-8","logHenry":-8.229,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1363,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.708,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2231,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.956,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1559-34-8"}
{"Compound":"2-(2-ethylhexyloxy)ethanol","CAS":"1559-35-9","CAS.Checksum":true,"DTXSID":"DTXSID1041920","Formula":"C10H22O2","All.Compound.Names":"2-(2-ethylhexyloxy)ethanol|Dtxsid1041920|1559-35-9","logHenry":-4.894,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.362,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.105,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.461,"logWSol.Reference":"EPA-CCD-OPERA","MP":-13.97,"MP.Reference":"EPA-CCD-OPERA","MW":174.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1559-35-9"}
{"Compound":"Broquinaldol","CAS":"15599-52-7","CAS.Checksum":true,"DTXSID":"DTXSID9046235","Formula":"C10H7Br2NO","All.Compound.Names":"Broquinaldol|Dtxsid9046235|15599-52-7","logHenry":-7.176,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.852,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.01,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.121,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.2,"MP.Reference":"EPA-CCD-OPERA","MW":317,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.44","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15599-52-7"}
{"Compound":"Sr271425","CAS":"155990-20-8","CAS.Checksum":true,"DTXSID":"DTXSID8047347","Formula":"C22H27N3O3S","All.Compound.Names":"Sr271425|Dtxsid8047347|155990-20-8","logHenry":-10.8,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.767,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.878,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.605,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.8,"MP.Reference":"EPA-CCD-OPERA","MW":413.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"155990-20-8"}
{"Compound":"Phenylpyruvic acid","CAS":"156-06-9","CAS.Checksum":true,"DTXSID":"DTXSID1042281","Formula":"C9H8O3","All.Compound.Names":"Phenylpyruvic acid|Dtxsid1042281|156-06-9","logHenry":-7.913,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.686,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.027,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.298,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.1,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"156-06-9"}
{"Compound":"Phenylethylhydrazine sulfate","CAS":"156-51-4","CAS.Checksum":true,"DTXSID":"DTXSID3021144","Formula":"C8H14N2O4S","All.Compound.Names":"Phenylethylhydrazine sulfate|Dtxsid3021144|156-51-4","logHenry":-6.952,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6445,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.73,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4264,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.9,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"156-51-4"}
{"Compound":"Sodium butyrate","CAS":"156-54-7","CAS.Checksum":true,"DTXSID":"DTXSID3037672","Formula":"C4H7NaO2","All.Compound.Names":"Sodium butyrate|Dtxsid3037672|156-54-7","logHenry":-6.27,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.197,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.432,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1758,"logWSol.Reference":"EPA-CCD-OPERA","MP":250.7,"MP.Reference":"EPA-CCD-OPERA","MW":110.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"156-54-7"}
{"Compound":"Cysteamine hydrochloride","CAS":"156-57-0","CAS.Checksum":true,"DTXSID":"DTXSID8045779","Formula":"C2H8ClNS","All.Compound.Names":"Cysteamine hydrochloride|Dtxsid8045779|156-57-0","logHenry":-5.718,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.564,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.643,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6075,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.3,"MP.Reference":"EPA-CCD-OPERA","MW":113.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.08","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"156-57-0"}
{"Compound":"(z)-1,2-dichloroethylene","CAS":"156-59-2","CAS.Checksum":true,"DTXSID":"DTXSID2024030","Formula":"C2H2Cl2","All.Compound.Names":"(z)-1,2-dichloroethylene|Dtxsid2024030","logHenry":-2.249,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.86,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.837,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.329,"logWSol.Reference":"EPA-CCD-OPERA","MP":-62.48,"MP.Reference":"EPA-CCD-OPERA","MW":96.94,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"156-59-2"}
{"Compound":"(e)-1,2-dichloroethylene","CAS":"156-60-5","CAS.Checksum":true,"DTXSID":"DTXSID7024031","Formula":"C2H2Cl2","All.Compound.Names":"(e)-1,2-dichloroethylene|Dtxsid7024031","logHenry":-2.249,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.86,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.837,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.329,"logWSol.Reference":"EPA-CCD-OPERA","MP":-62.48,"MP.Reference":"EPA-CCD-OPERA","MW":96.94,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"156-60-5"}
{"Compound":"Sodium 2-methylprop-2-ene-1-sulfonate","CAS":"1561-92-8","CAS.Checksum":true,"DTXSID":"DTXSID2044840","Formula":"C4H7NaO3S","All.Compound.Names":"Sodium 2-methylprop-2-ene-1-sulfonate|Dtxsid2044840|1561-92-8","logHenry":-8.494,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.257,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.188,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5561,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.308,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1561-92-8"}
{"Compound":"Rapacuronium bromide","CAS":"156137-99-4","CAS.Checksum":true,"DTXSID":"DTXSID7048823","Formula":"C37H61BrN2O4","All.Compound.Names":"Rapacuronium bromide|Dtxsid7048823|156137-99-4","logHenry":-6.587,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.082,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.594,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.155,"logWSol.Reference":"EPA-CCD-OPERA","MP":224.7,"MP.Reference":"EPA-CCD-OPERA","MW":677.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"156137-99-4"}
{"Compound":"Sodium 2-hydroxyethanesulfonate","CAS":"1562-00-1","CAS.Checksum":true,"DTXSID":"DTXSID7027413","Formula":"C2H5NaO4S","All.Compound.Names":"Sodium 2-hydroxyethanesulfonate|Dtxsid7027413|1562-00-1","logHenry":-7.123,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.849,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.21,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8985,"logWSol.Reference":"EPA-CCD-OPERA","MP":170,"MP.Reference":"EPA-CCD-OPERA","MW":148.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1562-00-1"}
{"Compound":"4-azoxyanisole","CAS":"1562-94-3","CAS.Checksum":true,"DTXSID":"DTXSID5024554","Formula":"C14H14N2O3","All.Compound.Names":"4-azoxyanisole|4,4'-dimethoxyazoxybenzene|Dtxsid5024554|1562-94-3","logHenry":-6.688,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.056,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.382,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.609,"logWSol.Reference":"EPA-CCD-OPERA","MP":127,"MP.Reference":"EPA-CCD-OPERA","MW":258.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1562-94-3"}
{"Compound":"Molindone hydrochloride","CAS":"15622-65-8","CAS.Checksum":true,"DTXSID":"DTXSID5045417","Formula":"C16H25ClN2O2","All.Compound.Names":"Molindone hydrochloride|Indol-4(5h)-one, 3-ethyl-6,7-dihydro-2-methyl-5-(morpholinomethyl)-, monohydrochloride|Dtxsid5045417|15622-65-8","logHenry":-9.038,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4683,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.68,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.471,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.1,"MP.Reference":"EPA-CCD-OPERA","MW":312.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15622-65-8"}
{"Compound":"Trimethylolpropane triacrylate","CAS":"15625-89-5","CAS.Checksum":true,"DTXSID":"DTXSID0027773","Formula":"C15H20O6","All.Compound.Names":"Trimethylolpropane triacrylate|Dtxsid0027773","logHenry":-8.447,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.285,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.129,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.311,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.74,"MP.Reference":"EPA-CCD-OPERA","MW":296.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15625-89-5"}
{"Compound":"Safingol","CAS":"15639-50-6","CAS.Checksum":true,"DTXSID":"DTXSID9045768","Formula":"C18H39NO2","All.Compound.Names":"Safingol|Dtxsid9045768|15639-50-6","logHenry":-6.796,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.948,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.3,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.184,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.12,"MP.Reference":"EPA-CCD-OPERA","MW":301.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15639-50-6"}
{"Compound":"9-bromoanthracene","CAS":"1564-64-3","CAS.Checksum":true,"DTXSID":"DTXSID6049224","Formula":"C14H9Br","All.Compound.Names":"9-bromoanthracene|Dtxsid6049224","logHenry":-4.889,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.369,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.045,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.877,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.9,"MP.Reference":"EPA-CCD-OPERA","MW":257.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1564-64-3"}
{"Compound":"Oxazolone","CAS":"15646-46-5","CAS.Checksum":true,"DTXSID":"DTXSID1049225","Formula":"C12H11NO3","All.Compound.Names":"Oxazolone|Dtxsid1049225|15646-46-5","logHenry":-8.061,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.479,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.971,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.178,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.25,"MP.Reference":"EPA-CCD-OPERA","MW":217.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15646-46-5"}
{"Compound":"Bisphenol a glycidyl methacrylate","CAS":"1565-94-2","CAS.Checksum":true,"DTXSID":"DTXSID7044841","Formula":"C29H36O8","All.Compound.Names":"Bisphenol a glycidyl methacrylate|Dtxsid7044841|1565-94-2","logHenry":-7.032,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.07,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.575,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.671,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.4,"MP.Reference":"EPA-CCD-OPERA","MW":512.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1565-94-2"}
{"Compound":"Nepaprazole","CAS":"156601-79-5","CAS.Checksum":true,"DTXSID":"DTXSID2057653","Formula":"C18H19N3O2S","All.Compound.Names":"Nepaprazole|Dtxsid2057653|156601-79-5","logHenry":-5.778,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.566,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.705,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.646,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.5,"MP.Reference":"EPA-CCD-OPERA","MW":341.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"156601-79-5"}
{"Compound":"Cisplatin","CAS":"15663-27-1","CAS.Checksum":true,"DTXSID":"DTXSID4024983","Formula":"Cl2H4N2Pt","All.Compound.Names":"Cisplatin","MW":298,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15663-27-1"}
{"Compound":"Snc 80","CAS":"156727-74-1","CAS.Checksum":true,"DTXSID":"DTXSID6045662","Formula":"C28H39N3O2","All.Compound.Names":"Snc 80|4-[(r)-[(2s,5r)-2,5-dimethyl-4-(2-propen-1-yl)-1-piperazinyl](3-methoxyphenyl)methyl]-n,n-diethylbenzamide|Dtxsid6045662|156727-74-1","logHenry":-6.175,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.159,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.522,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.571,"logWSol.Reference":"EPA-CCD-OPERA","MP":119.2,"MP.Reference":"EPA-CCD-OPERA","MW":449.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"156727-74-1"}
{"Compound":"Tibrofan","CAS":"15686-72-3","CAS.Checksum":true,"DTXSID":"DTXSID9046156","Formula":"C11H6Br3NOS","All.Compound.Names":"Tibrofan|Dtxsid9046156|15686-72-3","logHenry":-5.703,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.52,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.999,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.764,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.9,"MP.Reference":"EPA-CCD-OPERA","MW":440,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15686-72-3"}
{"Compound":"Embutramide","CAS":"15687-14-6","CAS.Checksum":true,"DTXSID":"DTXSID7057654","Formula":"C17H27NO3","All.Compound.Names":"Embutramide|Dtxsid7057654|15687-14-6","logHenry":-8.21,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.967,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.277,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.733,"logWSol.Reference":"EPA-CCD-OPERA","MP":113,"MP.Reference":"EPA-CCD-OPERA","MW":293.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15687-14-6"}
{"Compound":"Guaiactamine","CAS":"15687-23-7","CAS.Checksum":true,"DTXSID":"DTXSID6046139","Formula":"C13H21NO2","All.Compound.Names":"Guaiactamine|Dtxsid6046139|15687-23-7","logHenry":-5.794,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.06,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.2,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.956,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.55,"MP.Reference":"EPA-CCD-OPERA","MW":223.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15687-23-7"}
{"Compound":"1-propoxy-2-propanol","CAS":"1569-01-3","CAS.Checksum":true,"DTXSID":"DTXSID5029217","Formula":"C6H14O2","All.Compound.Names":"1-propoxy-2-propanol|Dtxsid5029217|1569-01-3","logHenry":-6.018,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5893,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.177,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9233,"logWSol.Reference":"EPA-CCD-OPERA","MP":-79.73,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1569-01-3"}
{"Compound":"1-ethoxy-2-propanol","CAS":"1569-02-4","CAS.Checksum":true,"DTXSID":"DTXSID1041267","Formula":"C5H12O2","All.Compound.Names":"1-ethoxy-2-propanol|Dtxsid1041267|1569-02-4","logHenry":-6.091,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2726,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9864,"logWSol.Reference":"EPA-CCD-OPERA","MP":-36.53,"MP.Reference":"EPA-CCD-OPERA","MW":104.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1569-02-4"}
{"Compound":"6-methylhept-5-en-2-ol","CAS":"1569-60-4","CAS.Checksum":true,"DTXSID":"DTXSID8051754","Formula":"C8H16O","All.Compound.Names":"6-methylhept-5-en-2-ol|Dtxsid8051754|1569-60-4","logHenry":-5.542,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.247,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.438,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.545,"logWSol.Reference":"EPA-CCD-OPERA","MP":-52.57,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1569-60-4"}
{"Compound":"Cyclohexanethiol","CAS":"1569-69-3","CAS.Checksum":true,"DTXSID":"DTXSID2027416","Formula":"C6H12S","All.Compound.Names":"Cyclohexanethiol|Dtxsid2027416|1569-69-3","logHenry":-2.539,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.596,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.04,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.675,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.848,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1569-69-3"}
{"Compound":"4-chloro-2-methylphenol","CAS":"1570-64-5","CAS.Checksum":true,"DTXSID":"DTXSID5022510","Formula":"C7H7ClO","All.Compound.Names":"4-chloro-2-methylphenol|Dtxsid5022510|1570-64-5","logHenry":-5.957,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.782,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.851,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.55,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.31,"MP.Reference":"EPA-CCD-OPERA","MW":142.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1570-64-5"}
{"Compound":"Butyl 2-methylbutyrate","CAS":"15706-73-7","CAS.Checksum":true,"DTXSID":"DTXSID4047046","Formula":"C9H18O2","All.Compound.Names":"Butyl 2-methylbutyrate|Dtxsid4047046","logHenry":-3.284,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.231,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.203,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.559,"logWSol.Reference":"EPA-CCD-OPERA","MP":-73.1,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15706-73-7"}
{"Compound":"3-ethyl-2-methylpyrazine","CAS":"15707-23-0","CAS.Checksum":true,"DTXSID":"DTXSID4047464","Formula":"C7H10N2","All.Compound.Names":"3-ethyl-2-methylpyrazine|2-ethyl-3-methylpyrazine|Dtxsid4047464|15707-23-0","logHenry":-5.184,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.07,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.398,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2835,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.52,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15707-23-0"}
{"Compound":"2,3-diethylpyrazine","CAS":"15707-24-1","CAS.Checksum":true,"DTXSID":"DTXSID6047101","Formula":"C8H12N2","All.Compound.Names":"2,3-diethylpyrazine|Dtxsid6047101|15707-24-1","logHenry":-4.972,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.511,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.311,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.0056,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.19,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15707-24-1"}
{"Compound":"Ethylenediaminetetraacetic acid ferric sodium salt","CAS":"15708-41-5","CAS.Checksum":true,"DTXSID":"DTXSID5027774","Formula":"C10H12FeN2NaO8","All.Compound.Names":"Ethylenediaminetetraacetic acid ferric sodium salt|Dtxsid5027774|15708-41-5","logHenry":-10.64,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.889,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.27,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.466,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.3,"MP.Reference":"EPA-CCD-OPERA","MW":367,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15708-41-5"}
{"Compound":"Methyl 4-formylbenzoate","CAS":"1571-08-0","CAS.Checksum":true,"DTXSID":"DTXSID4025610","Formula":"C9H8O3","All.Compound.Names":"Methyl 4-formylbenzoate|Dtxsid4025610","logHenry":-6.922,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.106,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.455,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.515,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.5,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1571-08-0"}
{"Compound":"Phenylphosphonic acid","CAS":"1571-33-1","CAS.Checksum":true,"DTXSID":"DTXSID2044399","Formula":"C6H7O3P","All.Compound.Names":"Phenylphosphonic acid|Dtxsid2044399|1571-33-1","logHenry":-7.307,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5395,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.522,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6468,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.4,"MP.Reference":"EPA-CCD-OPERA","MW":158.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1571-33-1"}
{"Compound":"4,4'-(1-phenylethylidene)bisphenol","CAS":"1571-75-1","CAS.Checksum":true,"DTXSID":"DTXSID5051444","Formula":"C20H18O2","All.Compound.Names":"4,4'-(1-phenylethylidene)bisphenol|Dtxsid5051444|1571-75-1","logHenry":-7.537,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.713,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.588,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.673,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.7,"MP.Reference":"EPA-CCD-OPERA","MW":290.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1571-75-1"}
{"Compound":"2-methylenepentanedinitrile","CAS":"1572-52-7","CAS.Checksum":true,"DTXSID":"DTXSID2027418","Formula":"C6H6N2","All.Compound.Names":"2-methylenepentanedinitrile|2-methyleneglutaronitrile|Dtxsid2027418","logHenry":-6.503,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2371,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.73,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2303,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.319,"MP.Reference":"EPA-CCD-OPERA","MW":106.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1572-52-7"}
{"Compound":"2,2',5,5'-tetrachlorobenzidine","CAS":"15721-02-5","CAS.Checksum":true,"DTXSID":"DTXSID7021314","Formula":"C12H8Cl4N2","All.Compound.Names":"2,2',5,5'-tetrachlorobenzidine|Dtxsid7021314|15721-02-5","logHenry":-7.392,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.122,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.195,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.405,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.6,"MP.Reference":"EPA-CCD-OPERA","MW":322,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15721-02-5"}
{"Compound":"Sodium 4-isopropylbenzenesulfonate","CAS":"15763-76-5","CAS.Checksum":true,"DTXSID":"DTXSID6047523","Formula":"C9H11NaO3S","All.Compound.Names":"Sodium 4-isopropylbenzenesulfonate|Dtxsid6047523|15763-76-5","logHenry":-7.867,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.752,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.05157,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.91,"MP.Reference":"EPA-CCD-OPERA","MW":222.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15763-76-5"}
{"Compound":"(1e)-1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one","CAS":"1577-03-3","CAS.Checksum":true,"DTXSID":"DTXSID8044595","Formula":"C13H15ClO","All.Compound.Names":"(1e)-1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one|1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one|Dtxsid8044595","logHenry":-5.013,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.963,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.361,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.744,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.55,"MP.Reference":"EPA-CCD-OPERA","MW":222.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1577-03-3"}
{"Compound":"Perifosine","CAS":"157716-52-4","CAS.Checksum":true,"DTXSID":"DTXSID3048946","Formula":"C25H52NO4P","All.Compound.Names":"Perifosine|Dtxsid3048946|157716-52-4","logHenry":-6.234,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.837,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.849,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.2,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.3,"MP.Reference":"EPA-CCD-OPERA","MW":461.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"157716-52-4"}
{"Compound":"Indinavir sulfate","CAS":"157810-81-6","CAS.Checksum":true,"DTXSID":"DTXSID1044221","Formula":"C36H49N5O8S","All.Compound.Names":"Indinavir sulfate|Dtxsid1044221|157810-81-6","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6049,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.926,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.038,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.2,"MP.Reference":"EPA-CCD-OPERA","MW":711.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.38","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.03,0.457,2.32","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"157810-81-6"}
{"Compound":"C.i. disperse blue 27","CAS":"15791-78-3","CAS.Checksum":true,"DTXSID":"DTXSID3025209","Formula":"C22H16N2O7","All.Compound.Names":"C.i. disperse blue 27|Dtxsid3025209|15791-78-3","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.458,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.008,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.416,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.7,"MP.Reference":"EPA-CCD-OPERA","MW":420.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15791-78-3"}
{"Compound":"Cp-105696","CAS":"158081-99-3","CAS.Checksum":true,"DTXSID":"DTXSID7047308","Formula":"C28H28O4","All.Compound.Names":"Cp-105696|Dtxsid7047308|158081-99-3","logHenry":-9.962,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.813,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.822,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.415,"logWSol.Reference":"EPA-CCD-OPERA","MP":211,"MP.Reference":"EPA-CCD-OPERA","MW":428.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"158081-99-3"}
{"Compound":"Cromolyn sodium","CAS":"15826-37-6","CAS.Checksum":true,"DTXSID":"DTXSID7044554","Formula":"C23H14Na2O11","All.Compound.Names":"Cromolyn sodium|Dtxsid7044554|15826-37-6","logHenry":-9.062,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.523,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.914,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.519,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.4,"MP.Reference":"EPA-CCD-OPERA","MW":512.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15826-37-6"}
{"Compound":"2-bromo-4'-chloro-2'-(2-fluorobenzoyl)acetanilide","CAS":"1584-62-9","CAS.Checksum":true,"DTXSID":"DTXSID7057656","Formula":"C15H10BrClFNO2","All.Compound.Names":"2-bromo-4'-chloro-2'-(2-fluorobenzoyl)acetanilide|Dtxsid7057656|1584-62-9","logHenry":-9.413,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.964,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.508,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.696,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.6,"MP.Reference":"EPA-CCD-OPERA","MW":370.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1584-62-9"}
{"Compound":"1-bromo-4-ethylbenzene","CAS":"1585-07-5","CAS.Checksum":true,"DTXSID":"DTXSID0029218","Formula":"C8H9Br","All.Compound.Names":"1-bromo-4-ethylbenzene|Dtxsid0029218","logHenry":-2.999,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.67,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.32,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.585,"logWSol.Reference":"EPA-CCD-OPERA","MP":-42.44,"MP.Reference":"EPA-CCD-OPERA","MW":185.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1585-07-5"}
{"Compound":"Chloralose","CAS":"15879-93-3","CAS.Checksum":true,"DTXSID":"DTXSID4020088","Formula":"C8H11Cl3O6","All.Compound.Names":"Chloralose|Dtxsid4020088|15879-93-3","logHenry":-9.822,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.017,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.31,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.839,"logWSol.Reference":"EPA-CCD-OPERA","MP":183,"MP.Reference":"EPA-CCD-OPERA","MW":309.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15879-93-3"}
{"Compound":"Frovatriptan succinate monohydrate","CAS":"158930-17-7","CAS.Checksum":true,"DTXSID":"DTXSID2049056","Formula":"C18H25N3O6","All.Compound.Names":"Frovatriptan succinate monohydrate|Dtxsid2049056|158930-17-7","logHenry":-10.37,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.242,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.023,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.505,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.1,"MP.Reference":"EPA-CCD-OPERA","MW":379.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"158930-17-7"}
{"Compound":"N,n',n''-tricyclohexyl-1-methylsilanetriamine","CAS":"15901-40-3","CAS.Checksum":true,"DTXSID":"DTXSID2044842","Formula":"C19H39N3Si","All.Compound.Names":"N,n',n''-tricyclohexyl-1-methylsilanetriamine|Dtxsid2044842|15901-40-3","logHenry":-6.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.065,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.133,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.418,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.2,"MP.Reference":"EPA-CCD-OPERA","MW":337.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15901-40-3"}
{"Compound":"Erythrosin b","CAS":"15905-32-5","CAS.Checksum":true,"DTXSID":"DTXSID7044843","Formula":"C20H8I4O5","All.Compound.Names":"Erythrosin b|C.i. solvent red 140","logHenry":-4.577,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.6,"logP.Reference":"OPERA29","logWSol":-3.33,"logWSol.Reference":"OPERA29","MP":273.5,"MP.Reference":"EPA-CCD-OPERA","MW":835.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15905-32-5"}
{"Compound":"3-(octyloxy)propan-1-amine","CAS":"15930-66-2","CAS.Checksum":true,"DTXSID":"DTXSID2044844","Formula":"C11H25NO","All.Compound.Names":"3-(octyloxy)propan-1-amine|Dtxsid2044844|15930-66-2","logHenry":-4.699,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.514,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.005,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.37,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.61,"MP.Reference":"EPA-CCD-OPERA","MW":187.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.78","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15930-66-2"}
{"Compound":"Everolimus","CAS":"159351-69-6","CAS.Checksum":true,"DTXSID":"DTXSID0040599","Formula":"C53H83NO14","All.Compound.Names":"Everolimus|Dtxsid0040599|159351-69-6","logHenry":-9.888,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.817,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.837,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.149,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.3,"MP.Reference":"EPA-CCD-OPERA","MW":958.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"22.9,10.2,51.6","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"159351-69-6"}
{"Compound":"2,4-dinitrophenyl thiocyanate","CAS":"1594-56-5","CAS.Checksum":true,"DTXSID":"DTXSID4041367","Formula":"C7H3N3O4S","All.Compound.Names":"2,4-dinitrophenyl thiocyanate|Dtxsid4041367|1594-56-5","logHenry":-6.848,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8192,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.431,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.344,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.3,"MP.Reference":"EPA-CCD-OPERA","MW":225.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1594-56-5"}
{"Compound":"2,3,4-trichlorophenol","CAS":"15950-66-0","CAS.Checksum":true,"DTXSID":"DTXSID5026207","Formula":"C6H3Cl3O","All.Compound.Names":"2,3,4-trichlorophenol|Dtxsid5026207|15950-66-0","logHenry":-6.132,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.8,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.742,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.471,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.34,"MP.Reference":"EPA-CCD-OPERA","MW":197.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15950-66-0"}
{"Compound":"Paramethasone acetate","CAS":"1597-82-6","CAS.Checksum":true,"DTXSID":"DTXSID8023422","Formula":"C24H31FO6","All.Compound.Names":"Paramethasone acetate|Dtxsid8023422|1597-82-6","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.511,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.987,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.597,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.5,"MP.Reference":"EPA-CCD-OPERA","MW":434.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1597-82-6"}
{"Compound":"(-)-(5s,8r)-lisuride","CAS":"159701-44-7","CAS.Checksum":true,"DTXSID":"DTXSID3046320","Formula":"C20H26N4O","All.Compound.Names":"(-)-(5s,8r)-lisuride|Dtxsid3046320|159701-44-7","logHenry":-9.138,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8628,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.698,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.079,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.3,"MP.Reference":"EPA-CCD-OPERA","MW":338.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"159701-44-7"}
{"Compound":"Nelfinavir mesylate","CAS":"159989-65-8","CAS.Checksum":true,"DTXSID":"DTXSID2033736","Formula":"C33H51N3O8S2","All.Compound.Names":"Nelfinavir mesylate|Dtxsid2033736|159989-65-8","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6724,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.841,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.796,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.4,"MP.Reference":"EPA-CCD-OPERA","MW":681.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"159989-65-8"}
{"Compound":"Mercury(ii) acetate","CAS":"1600-27-7","CAS.Checksum":true,"DTXSID":"DTXSID4042123","Formula":"C4H6HgO4","All.Compound.Names":"Mercury(ii) acetate|Dtxsid4042123|1600-27-7","logHenry":-6.998,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.629,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.859,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.1,"MP.Reference":"EPA-CCD-OPERA","MW":318.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1600-27-7"}
{"Compound":"5-methylpyridin-2-amine","CAS":"1603-41-4","CAS.Checksum":true,"DTXSID":"DTXSID4029220","Formula":"C6H8N2","All.Compound.Names":"5-methylpyridin-2-amine|6-amino-3-methylpyridine|Dtxsid4029220|1603-41-4","logHenry":-6.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.012,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.113,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9025,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.13,"MP.Reference":"EPA-CCD-OPERA","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1603-41-4"}
{"Compound":"Iocetamic acid","CAS":"16034-77-8","CAS.Checksum":true,"DTXSID":"DTXSID2023149","Formula":"C12H13I3N2O3","All.Compound.Names":"Iocetamic acid|Dtxsid2023149|16034-77-8","logHenry":-10.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.836,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.721,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.011,"logWSol.Reference":"EPA-CCD-OPERA","MP":223.9,"MP.Reference":"EPA-CCD-OPERA","MW":614,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16034-77-8"}
{"Compound":"Sch 50911","CAS":"160415-07-6","CAS.Checksum":true,"DTXSID":"DTXSID0045670","Formula":"C8H16ClNO3","All.Compound.Names":"Sch 50911|Dtxsid0045670|160415-07-6","logHenry":-9.62,"logHenry.Reference":"OPERA29","logP":0.21,"logP.Reference":"OPERA29","logWSol":-0.43,"logWSol.Reference":"OPERA29","MP":215,"MP.Reference":"OPERA29","MW":209.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.47","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"160415-07-6"}
{"Compound":"Chlorobutanedioic acid","CAS":"16045-92-4","CAS.Checksum":true,"DTXSID":"DTXSID7021526","Formula":"C4H5ClO4","All.Compound.Names":"Chlorobutanedioic acid|Dtxsid7021526|16045-92-4","logHenry":-8.203,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.0049,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.585,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.04769,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.7,"MP.Reference":"EPA-CCD-OPERA","MW":152.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16045-92-4"}
{"Compound":"1,4-bis(2-hydroxyethoxy)-2-butyne","CAS":"1606-85-5","CAS.Checksum":true,"DTXSID":"DTXSID7041918","Formula":"C8H14O4","All.Compound.Names":"1,4-bis(2-hydroxyethoxy)-2-butyne|Dtxsid7041918|1606-85-5","logHenry":-6.666,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5637,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.409,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7513,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.61,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1606-85-5"}
{"Compound":"4-(propan-2-yl)benzenesulfonic acid","CAS":"16066-35-6","CAS.Checksum":true,"DTXSID":"DTXSID1044932","Formula":"C9H12O3S","All.Compound.Names":"4-(propan-2-yl)benzenesulfonic acid|4-isopropylbenzenesulfonic acid|Dtxsid1044932|16066-35-6","logHenry":-7.867,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.342,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.168,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.05157,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.28,"MP.Reference":"EPA-CCD-OPERA","MW":200.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16066-35-6"}
{"Compound":"Bromo-3-chloro-5,5-dimethylhydantoin","CAS":"16079-88-2","CAS.Checksum":true,"DTXSID":"DTXSID3032591","Formula":"C5H6BrClN2O2","All.Compound.Names":"Bromo-3-chloro-5,5-dimethylhydantoin|1-bromo-3-chloro-5,5-dimethylhydantoin|Dtxsid3032591|16079-88-2","logHenry":-4.1,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.931,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.975,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.111,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.5,"MP.Reference":"EPA-CCD-OPERA","MW":241.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-1.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16079-88-2"}
{"Compound":"Diethyl dicarbonate","CAS":"1609-47-8","CAS.Checksum":true,"DTXSID":"DTXSID2051764","Formula":"C6H10O5","All.Compound.Names":"Diethyl dicarbonate|Diethyl pyrocarbonate|Dtxsid2051764","logHenry":-4.245,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7943,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.363,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7794,"logWSol.Reference":"EPA-CCD-OPERA","MP":-20.48,"MP.Reference":"EPA-CCD-OPERA","MW":162.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1609-47-8"}
{"Compound":"Norfentanyl","CAS":"1609-66-1","CAS.Checksum":true,"DTXSID":"DTXSID2057657","Formula":"C14H20N2O","All.Compound.Names":"Norfentanyl|Dtxsid2057657|1609-66-1","logHenry":-8.957,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.774,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.785,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.62,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.3,"MP.Reference":"EPA-CCD-OPERA","MW":232.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1609-66-1"}
{"Compound":"Atraton","CAS":"1610-17-9","CAS.Checksum":true,"DTXSID":"DTXSID0037493","Formula":"C9H17N5O","All.Compound.Names":"Atraton|Dtxsid0037493|1610-17-9","logHenry":-7.757,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.69,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.696,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.069,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.1,"MP.Reference":"EPA-CCD-OPERA","MW":211.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1610-17-9"}
{"Compound":"Carbetamide","CAS":"16118-49-3","CAS.Checksum":true,"DTXSID":"DTXSID7041756","Formula":"C12H16N2O3","All.Compound.Names":"Carbetamide|Dtxsid7041756|16118-49-3","logHenry":-10.97,"logHenry.Reference":"OPERA29","logP":1.57,"logP.Reference":"OPERA29","logWSol":-1.84,"logWSol.Reference":"OPERA29","MP":119,"MP.Reference":"OPERA29","MW":236.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16118-49-3"}
{"Compound":"3-morpholinosydnonimine hydrochloride","CAS":"16142-27-1","CAS.Checksum":true,"DTXSID":"DTXSID9049039","Formula":"C6H11ClN4O2","All.Compound.Names":"3-morpholinosydnonimine hydrochloride|Dtxsid9049039|16142-27-1","logHenry":-7.033,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7151,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.149,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9866,"logWSol.Reference":"EPA-CCD-OPERA","MP":226.9,"MP.Reference":"EPA-CCD-OPERA","MW":206.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16142-27-1"}
{"Compound":"Fanapanel","CAS":"161605-73-8","CAS.Checksum":true,"DTXSID":"DTXSID7046093","Formula":"C14H15F3N3O6P","All.Compound.Names":"Fanapanel|Dtxsid7046093|161605-73-8","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.305,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.1,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.094,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.9,"MP.Reference":"EPA-CCD-OPERA","MW":409.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"161605-73-8"}
{"Compound":"Vincamine","CAS":"1617-90-9","CAS.Checksum":true,"DTXSID":"DTXSID9040134","Formula":"C21H26N2O3","All.Compound.Names":"Vincamine|1617-90-9|Dtxsid9040134","logHenry":-8.818,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.72,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.915,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.614,"logWSol.Reference":"EPA-CCD-OPERA","MP":231.4,"MP.Reference":"EPA-CCD-OPERA","MW":354.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.2,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"1617-90-9"}
{"Compound":"Rasagiline mesylate","CAS":"161735-79-1","CAS.Checksum":true,"DTXSID":"DTXSID8047848","Formula":"C13H17NO3S","All.Compound.Names":"Rasagiline mesylate|Dtxsid8047848|161735-79-1","logHenry":-6.031,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3845,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.372,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.588,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.1,"MP.Reference":"EPA-CCD-OPERA","MW":267.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"161735-79-1"}
{"Compound":"Amprenavir","CAS":"161814-49-9","CAS.Checksum":true,"DTXSID":"DTXSID5046061","Formula":"C25H35N3O6S","All.Compound.Names":"Amprenavir|Dtxsid5046061|161814-49-9","logHenry":-11.1,"logHenry.Reference":"OPERA29","logP":1.5,"logP.Reference":"OPERA29","logWSol":-4.06,"logWSol.Reference":"OPERA29","MP":150,"MP.Reference":"OPERA29","MW":505.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"17,7.54,38.3","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"161814-49-9"}
{"Compound":"Hydroxyvalerenic acid","CAS":"1619-16-5","CAS.Checksum":true,"DTXSID":"DTXSID8033564","Formula":"C15H22O3","All.Compound.Names":"Hydroxyvalerenic acid|Dtxsid8033564|1619-16-5","logHenry":-7.969,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.929,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.453,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.021,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.6,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1619-16-5"}
{"Compound":"Grepafloxacin hydrochloride","CAS":"161967-81-3","CAS.Checksum":true,"DTXSID":"DTXSID0046692","Formula":"C19H23ClFN3O3","All.Compound.Names":"Grepafloxacin hydrochloride|Dtxsid0046692|161967-81-3","logHenry":-11.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.403,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.089,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.382,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.5,"MP.Reference":"EPA-CCD-OPERA","MW":395.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.37","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"161967-81-3"}
{"Compound":"Chlorcyclizine hydrochloride","CAS":"1620-21-9","CAS.Checksum":true,"DTXSID":"DTXSID7045360","Formula":"C18H22Cl2N2","All.Compound.Names":"Chlorcyclizine hydrochloride|Dtxsid7045360|1620-21-9","logHenry":-5.365,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.958,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.647,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.475,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.5,"MP.Reference":"EPA-CCD-OPERA","MW":337.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1620-21-9"}
{"Compound":"3,5-di-tert-butyl-4-hydroxybenzaldehyde","CAS":"1620-98-0","CAS.Checksum":true,"DTXSID":"DTXSID7057658","Formula":"C15H22O2","All.Compound.Names":"3,5-di-tert-butyl-4-hydroxybenzaldehyde|Dtxsid7057658|1620-98-0","logHenry":-8.507,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.406,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.518,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.566,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.6,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1620-98-0"}
{"Compound":"Butyl 3-mercaptopropionate","CAS":"16215-21-7","CAS.Checksum":true,"DTXSID":"DTXSID7044845","Formula":"C7H14O2S","All.Compound.Names":"Butyl 3-mercaptopropionate|Dtxsid7044845|16215-21-7","logHenry":-6.983,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.441,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.987,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.512,"logWSol.Reference":"EPA-CCD-OPERA","MP":-27.3,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16215-21-7"}
{"Compound":"5-ethylidene-2-norbornene","CAS":"16219-75-3","CAS.Checksum":true,"DTXSID":"DTXSID1025306","Formula":"C9H12","All.Compound.Names":"5-ethylidene-2-norbornene|Dtxsid1025306","logHenry":-2.269,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.82,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7187,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.126,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.23,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16219-75-3"}
{"Compound":"Dibenzyl phosphate","CAS":"1623-08-1","CAS.Checksum":true,"DTXSID":"DTXSID1033402","Formula":"C14H15O4P","All.Compound.Names":"Dibenzyl phosphate|Dtxsid1033402|1623-08-1","logHenry":-6.126,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.145,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.176,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.552,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.96,"MP.Reference":"EPA-CCD-OPERA","MW":278.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1623-08-1"}
{"Compound":"Gr 103691","CAS":"162408-66-4","CAS.Checksum":true,"DTXSID":"DTXSID6042602","Formula":"C30H35N3O3","All.Compound.Names":"Gr 103691|Dtxsid6042602|162408-66-4","logHenry":-7.404,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.104,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.063,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.03,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.2,"MP.Reference":"EPA-CCD-OPERA","MW":485.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"162408-66-4"}
{"Compound":"4,4'-di-tert-butylbiphenyl","CAS":"1625-91-8","CAS.Checksum":true,"DTXSID":"DTXSID4048193","Formula":"C20H26","All.Compound.Names":"4,4'-di-tert-butylbiphenyl|Dtxsid4048193","logHenry":-5.716,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.048,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.862,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.705,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.2,"MP.Reference":"EPA-CCD-OPERA","MW":266.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1625-91-8"}
{"Compound":"3-phenylbutyraldehyde","CAS":"16251-77-7","CAS.Checksum":true,"DTXSID":"DTXSID4047098","Formula":"C10H12O","All.Compound.Names":"3-phenylbutyraldehyde|Dtxsid4047098","logHenry":-4.052,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.638,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.416,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.661,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.751,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16251-77-7"}
{"Compound":"Temsirolimus","CAS":"162635-04-3","CAS.Checksum":true,"DTXSID":"DTXSID2040945","Formula":"C56H87NO16","All.Compound.Names":"Temsirolimus|Dtxsid2040945|162635-04-3","logHenry":-9.787,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.426,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.187,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.28,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.1,"MP.Reference":"EPA-CCD-OPERA","MW":1030,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"162635-04-3"}
{"Compound":"Uk-156819","CAS":"162706-14-1","CAS.Checksum":true,"DTXSID":"DTXSID2047309","Formula":"C19H20N2O2","All.Compound.Names":"Uk-156819|Dtxsid2047309|162706-14-1","logHenry":-9.051,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.544,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.926,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.46,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.5,"MP.Reference":"EPA-CCD-OPERA","MW":308.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.11","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"162706-14-1"}
{"Compound":"Zinc salicylate","CAS":"16283-36-6","CAS.Checksum":true,"DTXSID":"DTXSID6048624","Formula":"C14H10O6Zn","All.Compound.Names":"Zinc salicylate|Dtxsid6048624|16283-36-6","logHenry":-7.056,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.314,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.757,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9697,"logWSol.Reference":"EPA-CCD-OPERA","MP":266.4,"MP.Reference":"EPA-CCD-OPERA","MW":339.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16283-36-6"}
{"Compound":"(phenylphosphoryl)bis[(2,4,6-trimethylphenyl)methanone]","CAS":"162881-26-7","CAS.Checksum":true,"DTXSID":"DTXSID8044597","Formula":"C26H27O3P","All.Compound.Names":"(phenylphosphoryl)bis[(2,4,6-trimethylphenyl)methanone]|Dtxsid8044597","logHenry":-7.988,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.121,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.558,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.279,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.3,"MP.Reference":"EPA-CCD-OPERA","MW":418.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"162881-26-7"}
{"Compound":"Ethyl vinyl ketone","CAS":"1629-58-9","CAS.Checksum":true,"DTXSID":"DTXSID5025318","Formula":"C5H8O","All.Compound.Names":"Ethyl vinyl ketone|Dtxsid5025318","logHenry":-4.259,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9006,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.368,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1407,"logWSol.Reference":"EPA-CCD-OPERA","MP":-63.83,"MP.Reference":"EPA-CCD-OPERA","MW":84.12,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1629-58-9"}
{"Compound":"Neboglamine","CAS":"163000-63-3","CAS.Checksum":true,"DTXSID":"DTXSID2045787","Formula":"C13H24N2O3","All.Compound.Names":"Neboglamine|Dtxsid2045787|163000-63-3","logHenry":-10.07,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.759,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.97,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.043,"logWSol.Reference":"EPA-CCD-OPERA","MP":200,"MP.Reference":"EPA-CCD-OPERA","MW":256.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"163000-63-3"}
{"Compound":"Fenchol","CAS":"1632-73-1","CAS.Checksum":true,"DTXSID":"DTXSID1041970","Formula":"C10H18O","All.Compound.Names":"Fenchol|Dtxsid1041970|1632-73-1","logHenry":-5.038,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.17,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.404,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.27,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.17,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1632-73-1"}
{"Compound":"Gestrinone","CAS":"16320-04-0","CAS.Checksum":true,"DTXSID":"DTXSID4023094","Formula":"C21H24O2","All.Compound.Names":"Gestrinone|Dtxsid4023094|16320-04-0","logHenry":-8.264,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.952,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.267,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.833,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.1,"MP.Reference":"EPA-CCD-OPERA","MW":308.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16320-04-0"}
{"Compound":"Ezetimibe","CAS":"163222-33-1","CAS.Checksum":true,"DTXSID":"DTXSID1044223","Formula":"C24H21F2NO3","All.Compound.Names":"Ezetimibe|163222-33-1|Dtxsid1044223","logHenry":-10.99,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.033,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.559,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.208,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.9,"MP.Reference":"EPA-CCD-OPERA","MW":409.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"163222-33-1"}
{"Compound":"3,3'-(1,4-phenylene)bis-2-propenoic acid","CAS":"16323-43-6","CAS.Checksum":true,"DTXSID":"DTXSID9025879","Formula":"C12H10O4","All.Compound.Names":"3,3'-(1,4-phenylene)bis-2-propenoic acid|3,3'-(p-phenylene)diacrylic acid|Dtxsid9025879|16323-43-6","logHenry":-9.216,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.994,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.161,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.036,"logWSol.Reference":"EPA-CCD-OPERA","MP":220,"MP.Reference":"EPA-CCD-OPERA","MW":218.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16323-43-6"}
{"Compound":"Clevudine","CAS":"163252-36-6","CAS.Checksum":true,"DTXSID":"DTXSID2057659","Formula":"C10H13FN2O5","All.Compound.Names":"Clevudine|Dtxsid2057659|163252-36-6","logHenry":-11.42,"logHenry.Reference":"OPERA29","logP":-0.83,"logP.Reference":"OPERA29","logWSol":-0.46,"logWSol.Reference":"OPERA29","MP":189,"MP.Reference":"OPERA29","MW":260.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"163252-36-6"}
{"Compound":"Carbonic acid, strontium salt (1:1)","CAS":"1633-05-2","CAS.Checksum":true,"DTXSID":"DTXSID3029651","Formula":"CO3Sr","All.Compound.Names":"Carbonic acid, strontium salt (1:1)|Dtxsid3029651|1633-05-2","logHenry":-8.423,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.475,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.841,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.769,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.2,"MP.Reference":"EPA-CCD-OPERA","MW":147.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1633-05-2"}
{"Compound":"Tetrabutylthiuram disulfide","CAS":"1634-02-2","CAS.Checksum":true,"DTXSID":"DTXSID6049226","Formula":"C18H36N2S4","All.Compound.Names":"Tetrabutylthiuram disulfide|Dtxsid6049226|1634-02-2","logHenry":-8.508,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.75,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.947,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.978,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.6,"MP.Reference":"EPA-CCD-OPERA","MW":408.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1634-02-2"}
{"Compound":"Methyl tert-butyl ether","CAS":"1634-04-4","CAS.Checksum":true,"DTXSID":"DTXSID3020833","Formula":"C5H12O","All.Compound.Names":"Methyl tert-butyl ether|Dtxsid3020833","logHenry":-3.227,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9421,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.742,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2438,"logWSol.Reference":"EPA-CCD-OPERA","MP":-108.4,"MP.Reference":"EPA-CCD-OPERA","MW":88.15,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.64","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.905","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"25.16","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.6272","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"1634-04-4"}
{"Compound":"Dimethenamid-p","CAS":"163515-14-8","CAS.Checksum":true,"DTXSID":"DTXSID2034542","Formula":"C12H18ClNO2S","All.Compound.Names":"Dimethenamid-p|Dtxsid2034542|163515-14-8","logHenry":-7.091,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.15,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.498,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.343,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.512,"MP.Reference":"EPA-CCD-OPERA","MW":275.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"163515-14-8"}
{"Compound":"Isoxadifen-ethyl","CAS":"163520-33-0","CAS.Checksum":true,"DTXSID":"DTXSID7040360","Formula":"C18H17NO3","All.Compound.Names":"Isoxadifen-ethyl|Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate|Dtxsid7040360|163520-33-0","logHenry":-7.381,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.152,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.488,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.605,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.36,"MP.Reference":"EPA-CCD-OPERA","MW":295.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"163520-33-0"}
{"Compound":"1,3,5-undecatriene","CAS":"16356-11-9","CAS.Checksum":true,"DTXSID":"DTXSID9047546","Formula":"C11H18","All.Compound.Names":"1,3,5-undecatriene|Dtxsid9047546","logHenry":-1.459,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.755,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.08828,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.361,"logWSol.Reference":"EPA-CCD-OPERA","MP":-51.34,"MP.Reference":"EPA-CCD-OPERA","MW":150.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16356-11-9"}
{"Compound":"Beta-chloralose","CAS":"16376-36-6","CAS.Checksum":true,"DTXSID":"DTXSID4046575","Formula":"C8H11Cl3O6","All.Compound.Names":"Beta-chloralose|Dtxsid4046575|16376-36-6","logHenry":-9.822,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.017,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.31,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.839,"logWSol.Reference":"EPA-CCD-OPERA","MP":183,"MP.Reference":"EPA-CCD-OPERA","MW":309.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16376-36-6"}
{"Compound":"2,3,3-trimethylindolenine","CAS":"1640-39-7","CAS.Checksum":true,"DTXSID":"DTXSID9049403","Formula":"C11H13N","All.Compound.Names":"2,3,3-trimethylindolenine|Dtxsid9049403|1640-39-7","logHenry":-4.218,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.509,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.337,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.899,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.46,"MP.Reference":"EPA-CCD-OPERA","MW":159.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1640-39-7"}
{"Compound":"4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2h-pyran","CAS":"16409-43-1","CAS.Checksum":true,"DTXSID":"DTXSID1051771","Formula":"C10H18O","All.Compound.Names":"4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2h-pyran|Dtxsid1051771","logHenry":-3.328,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.971,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.767,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.232,"logWSol.Reference":"EPA-CCD-OPERA","MP":-34.7,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16409-43-1"}
{"Compound":"Mexenone","CAS":"1641-17-4","CAS.Checksum":true,"DTXSID":"DTXSID8046242","Formula":"C15H14O3","All.Compound.Names":"Mexenone|Dtxsid8046242|1641-17-4","logHenry":-9.656,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.983,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.036,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.605,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.49,"MP.Reference":"EPA-CCD-OPERA","MW":242.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1641-17-4"}
{"Compound":"Nicametate citrate","CAS":"1641-74-3","CAS.Checksum":true,"DTXSID":"DTXSID4046733","Formula":"C18H26N2O9","All.Compound.Names":"Nicametate citrate|Dtxsid4046733|1641-74-3","logHenry":-8.284,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8376,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.413,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7859,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.5,"MP.Reference":"EPA-CCD-OPERA","MW":414.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1641-74-3"}
{"Compound":"Diethylcarbamazine citrate","CAS":"1642-54-2","CAS.Checksum":true,"DTXSID":"DTXSID4045555","Formula":"C16H29N3O8","All.Compound.Names":"Diethylcarbamazine citrate|Dtxsid4045555|1642-54-2","logHenry":-7.048,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8374,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.067,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.06423,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.6,"MP.Reference":"EPA-CCD-OPERA","MW":391.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1642-54-2"}
{"Compound":"Fd&c red 3","CAS":"16423-68-0","CAS.Checksum":true,"DTXSID":"DTXSID7021233","Formula":"C20H6I4Na2O5","All.Compound.Names":"Fd&c red 3","logHenry":-4.577,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.03,"logP.Reference":"OPERA29","logWSol":-3.33,"logWSol.Reference":"OPERA29","MP":256,"MP.Reference":"EPA-CCD-OPERA","MW":879.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16423-68-0"}
{"Compound":"Tetrabutylammonium bromide","CAS":"1643-19-2","CAS.Checksum":true,"DTXSID":"DTXSID4044400","Formula":"C16H36BrN","All.Compound.Names":"Tetrabutylammonium bromide|Tetrabutyl ammonium bromide|Dtxsid4044400|1643-19-2","logHenry":-2.004,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1885,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.759,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.806,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.8,"MP.Reference":"EPA-CCD-OPERA","MW":322.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.364","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0.9242,0.7223,1","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"1643-19-2"}
{"Compound":"3-methoxy-4-methylaniline","CAS":"16452-01-0","CAS.Checksum":true,"DTXSID":"DTXSID9024855","Formula":"C8H11NO","All.Compound.Names":"3-methoxy-4-methylaniline|Dtxsid9024855|16452-01-0","logHenry":-6.635,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.104,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.408,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.399,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.97,"MP.Reference":"EPA-CCD-OPERA","MW":137.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16452-01-0"}
{"Compound":"Aldicarb oxime","CAS":"1646-75-9","CAS.Checksum":true,"DTXSID":"DTXSID9024431","Formula":"C5H11NOS","All.Compound.Names":"Aldicarb oxime|Dtxsid9024431|1646-75-9","logHenry":-5.74,"logHenry.Reference":"OPERA29","logP":1.7,"logP.Reference":"OPERA29","logWSol":-0.93,"logWSol.Reference":"OPERA29","MP":21,"MP.Reference":"OPERA29","MW":133.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1646-75-9"}
{"Compound":"Aldicarb sulfoxide","CAS":"1646-87-3","CAS.Checksum":true,"DTXSID":"DTXSID1033161","Formula":"C7H14N2O3S","All.Compound.Names":"Aldicarb sulfoxide|Dtxsid1033161|1646-87-3","logHenry":-9.537,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4925,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.268,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8672,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.8,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1646-87-3"}
{"Compound":"Dutasteride","CAS":"164656-23-9","CAS.Checksum":true,"DTXSID":"DTXSID8046452","Formula":"C27H30F6N2O2","All.Compound.Names":"Dutasteride|164656-23-9|Dtxsid8046452","logHenry":-7.244,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.494,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.101,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.526,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.7,"MP.Reference":"EPA-CCD-OPERA","MW":528.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.6,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"164656-23-9"}
{"Compound":"1,9-decadiene","CAS":"1647-16-1","CAS.Checksum":true,"DTXSID":"DTXSID4022159","Formula":"C10H18","All.Compound.Names":"1,9-decadiene|Dtxsid4022159","logHenry":-1.182,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.891,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4604,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.371,"logWSol.Reference":"EPA-CCD-OPERA","MP":-107,"MP.Reference":"EPA-CCD-OPERA","MW":138.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1647-16-1"}
{"Compound":"Mecoprop-p","CAS":"16484-77-8","CAS.Checksum":true,"DTXSID":"DTXSID3032670","Formula":"C10H11ClO3","All.Compound.Names":"Mecoprop-p|(r)-2-(4-chloro-2-methylphenoxy)propionate|Dtxsid3032670|16484-77-8","logHenry":-8.781,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.129,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.537,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.13,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.6,"MP.Reference":"EPA-CCD-OPERA","MW":214.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16484-77-8"}
{"Compound":"Panthenol","CAS":"16485-10-2","CAS.Checksum":true,"DTXSID":"DTXSID3044598","Formula":"C9H19NO4","All.Compound.Names":"Panthenol|Dtxsid3044598|16485-10-2","logHenry":-7.944,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.188,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.593,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6863,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.7,"MP.Reference":"EPA-CCD-OPERA","MW":205.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.91","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16485-10-2"}
{"Compound":"Depolipon","CAS":"16488-48-5","CAS.Checksum":true,"DTXSID":"DTXSID4048777","Formula":"C17H29ClN2O2","All.Compound.Names":"Depolipon|Dtxsid4048777|16488-48-5","logHenry":-8.861,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.314,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.442,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.55,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.1,"MP.Reference":"EPA-CCD-OPERA","MW":328.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16488-48-5"}
{"Compound":"6-ethoxy-2,3,4-trimethyl-1,2,3,4-tetrahydroquinoline","CAS":"16489-90-0","CAS.Checksum":true,"DTXSID":"DTXSID6042365","Formula":"C14H21NO","All.Compound.Names":"6-ethoxy-2,3,4-trimethyl-1,2,3,4-tetrahydroquinoline|Dtxsid6042365|6-ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline|16489-90-0","logHenry":-5.707,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.945,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.606,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.281,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.93,"MP.Reference":"EPA-CCD-OPERA","MW":219.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16489-90-0"}
{"Compound":"Azaperone","CAS":"1649-18-9","CAS.Checksum":true,"DTXSID":"DTXSID2045361","Formula":"C19H22FN3O","All.Compound.Names":"Azaperone|Dtxsid2045361|1649-18-9","logHenry":-6.885,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.299,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.588,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.82,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.08,"MP.Reference":"EPA-CCD-OPERA","MW":327.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1649-18-9"}
{"Compound":"2,4-hexadienyl isobutyrate","CAS":"16491-24-0","CAS.Checksum":true,"DTXSID":"DTXSID4047414","Formula":"C10H16O2","All.Compound.Names":"2,4-hexadienyl isobutyrate|Hexa-2,4-dienyl isobutyrate|Dtxsid4047414","logHenry":-3.276,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.905,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.925,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.206,"logWSol.Reference":"EPA-CCD-OPERA","MP":-70.39,"MP.Reference":"EPA-CCD-OPERA","MW":168.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16491-24-0"}
{"Compound":"Dinotefuran","CAS":"165252-70-0","CAS.Checksum":true,"DTXSID":"DTXSID7034549","Formula":"C7H14N4O3","All.Compound.Names":"Dinotefuran|Dtxsid7034549|1-methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine|165252-70-0","logHenry":-7.872,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6426,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.412,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7083,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.5,"MP.Reference":"EPA-CCD-OPERA","MW":202.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"165252-70-0"}
{"Compound":"2-methyl-3-butenenitrile","CAS":"16529-56-9","CAS.Checksum":true,"DTXSID":"DTXSID5025578","Formula":"C5H7N","All.Compound.Names":"2-methyl-3-butenenitrile|Dtxsid5025578","logHenry":-4.411,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8248,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.286,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4815,"logWSol.Reference":"EPA-CCD-OPERA","MP":-70.75,"MP.Reference":"EPA-CCD-OPERA","MW":81.12,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16529-56-9"}
{"Compound":"Fosenazide","CAS":"16543-10-5","CAS.Checksum":true,"DTXSID":"DTXSID1046188","Formula":"C14H15N2O2P","All.Compound.Names":"Fosenazide|Dtxsid1046188|16543-10-5","logHenry":-9.396,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.357,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.868,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.95,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.2,"MP.Reference":"EPA-CCD-OPERA","MW":274.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16543-10-5"}
{"Compound":"3,3'-oxydipropionitrile","CAS":"1656-48-0","CAS.Checksum":true,"DTXSID":"DTXSID5044154","Formula":"C6H8N2O","All.Compound.Names":"3,3'-oxydipropionitrile|2,2'-dicyanodiethyl ether|Dtxsid5044154","logHenry":-6.602,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1182,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.191,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7283,"logWSol.Reference":"EPA-CCD-OPERA","MP":-26.04,"MP.Reference":"EPA-CCD-OPERA","MW":124.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1656-48-0"}
{"Compound":"4-(tert-pentyl)-cyclohexanone","CAS":"16587-71-6","CAS.Checksum":true,"DTXSID":"DTXSID4047127","Formula":"C11H20O","All.Compound.Names":"4-(tert-pentyl)-cyclohexanone|Dtxsid4047127","logHenry":-3.836,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.074,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.469,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.76,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.31,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16587-71-6"}
{"Compound":"4-chloro-3-nitrobenzaldehyde","CAS":"16588-34-4","CAS.Checksum":true,"DTXSID":"DTXSID2044846","Formula":"C7H4ClNO3","All.Compound.Names":"4-chloro-3-nitrobenzaldehyde|Dtxsid2044846|16588-34-4","logHenry":-5.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.685,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.191,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.637,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.15,"MP.Reference":"EPA-CCD-OPERA","MW":185.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16588-34-4"}
{"Compound":"Levamisole hydrochloride","CAS":"16595-80-5","CAS.Checksum":true,"DTXSID":"DTXSID7047518","Formula":"C11H13ClN2S","All.Compound.Names":"Levamisole hydrochloride|Dtxsid7047518|16595-80-5","logHenry":-7.541,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6103,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.381,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.262,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.1,"MP.Reference":"EPA-CCD-OPERA","MW":240.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16595-80-5"}
{"Compound":"Tetraisopropyl methylenediphosphonate","CAS":"1660-95-3","CAS.Checksum":true,"DTXSID":"DTXSID7044847","Formula":"C13H30O6P2","All.Compound.Names":"Tetraisopropyl methylenediphosphonate|Dtxsid7044847","logHenry":-6.457,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.348,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.47,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.196,"logWSol.Reference":"EPA-CCD-OPERA","MP":-28.84,"MP.Reference":"EPA-CCD-OPERA","MW":344.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1660-95-3"}
{"Compound":"Tert-butyl acrylate","CAS":"1663-39-4","CAS.Checksum":true,"DTXSID":"DTXSID8029652","Formula":"C7H12O2","All.Compound.Names":"Tert-butyl acrylate|Dtxsid8029652","logHenry":-3.411,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.929,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.468,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.877,"logWSol.Reference":"EPA-CCD-OPERA","MP":-42.5,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1663-39-4"}
{"Compound":"Diisononyl cyclohexane-1,2-dicarboxylate","CAS":"166412-78-8","CAS.Checksum":true,"DTXSID":"DTXSID8047395","All.Compound.Names":"Diisononyl cyclohexane-1,2-dicarboxylate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"166412-78-8"}
{"Compound":"Metaxalone","CAS":"1665-48-1","CAS.Checksum":true,"DTXSID":"DTXSID3023269","Formula":"C12H15NO3","All.Compound.Names":"Metaxalone|Dtxsid3023269|1665-48-1","logHenry":-8.855,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.764,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.221,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.667,"logWSol.Reference":"EPA-CCD-OPERA","MP":122,"MP.Reference":"EPA-CCD-OPERA","MW":221.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1665-48-1"}
{"Compound":"Gallopamil hydrochloride","CAS":"16662-46-7","CAS.Checksum":true,"DTXSID":"DTXSID2047858","Formula":"C28H41ClN2O5","All.Compound.Names":"Gallopamil hydrochloride|Dtxsid2047858|16662-46-7","logHenry":-6.167,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.174,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.507,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.684,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.6,"MP.Reference":"EPA-CCD-OPERA","MW":521.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16662-46-7"}
{"Compound":"N-(isobutoxymethyl)acrylamide","CAS":"16669-59-3","CAS.Checksum":true,"DTXSID":"DTXSID2044848","Formula":"C8H15NO2","All.Compound.Names":"N-(isobutoxymethyl)acrylamide|Dtxsid2044848|16669-59-3","logHenry":-8.075,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2935,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.222,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3568,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.99,"MP.Reference":"EPA-CCD-OPERA","MW":157.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16669-59-3"}
{"Compound":"N-(2-(4-sulfamoyl)phenyl)ethyl-5-chloro-2-methoxybenzamide","CAS":"16673-34-0","CAS.Checksum":true,"DTXSID":"DTXSID1057660","Formula":"C16H17ClN2O4S","All.Compound.Names":"N-(2-(4-sulfamoyl)phenyl)ethyl-5-chloro-2-methoxybenzamide|Dtxsid1057660|16673-34-0","logHenry":-9.637,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.978,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.448,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.222,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.2,"MP.Reference":"EPA-CCD-OPERA","MW":368.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16673-34-0"}
{"Compound":"Desmopressin","CAS":"16679-58-6","CAS.Checksum":true,"DTXSID":"DTXSID1048259","Formula":"C46H64N14O12S2","All.Compound.Names":"Desmopressin|16679-58-6|Dtxsid1048259","logHenry":-11.81,"logHenry.Reference":"OPERA29","logP":-0.45,"logP.Reference":"OPERA29","logWSol":-3.76,"logWSol.Reference":"OPERA29","MP":335,"MP.Reference":"OPERA29","MW":1069,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.15,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"16679-58-6"}
{"Compound":"1,3,5-triazin-2-amine, 4-methoxy-6-methyl-","CAS":"1668-54-8","CAS.Checksum":true,"DTXSID":"DTXSID4041230","Formula":"C5H8N4O","All.Compound.Names":"1,3,5-triazin-2-amine, 4-methoxy-6-methyl-|2-methyl-4-amino-6-methoxy-s-triazine|Dtxsid4041230|2-amino-4-methoxy-6-methyl-1,3,5-triazine|1668-54-8","logHenry":-6.788,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.02038,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.736,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.268,"logWSol.Reference":"EPA-CCD-OPERA","MP":259.4,"MP.Reference":"EPA-CCD-OPERA","MW":140.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.07","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1668-54-8"}
{"Compound":"5-amino-1,2-dihydro-3h-1,2,4-triazole-3-thione","CAS":"16691-43-3","CAS.Checksum":true,"DTXSID":"DTXSID7044849","Formula":"C2H4N4S","All.Compound.Names":"5-amino-1,2-dihydro-3h-1,2,4-triazole-3-thione|3-amino-1,2,4-triazole-5-thiol|Dtxsid7044849|16691-43-3","logHenry":-8.547,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.18,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.326,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6815,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.1,"MP.Reference":"EPA-CCD-OPERA","MW":116.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16691-43-3"}
{"Compound":"Benzenecarboximidamide, monohydrochloride","CAS":"1670-14-0","CAS.Checksum":true,"DTXSID":"DTXSID9044401","Formula":"C7H9ClN2","All.Compound.Names":"Benzenecarboximidamide, monohydrochloride|Dtxsid9044401|1670-14-0","logHenry":-8.411,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.098,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.509,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.496,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.2,"MP.Reference":"EPA-CCD-OPERA","MW":156.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1670-14-0"}
{"Compound":"Heptanophenone","CAS":"1671-75-6","CAS.Checksum":true,"DTXSID":"DTXSID9048194","Formula":"C13H18O","All.Compound.Names":"Heptanophenone|Dtxsid9048194","logHenry":-4.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.178,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.432,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.32,"MP.Reference":"EPA-CCD-OPERA","MW":190.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1671-75-6"}
{"Compound":"6-hydroxy-2-naphthoic acid","CAS":"16712-64-4","CAS.Checksum":true,"DTXSID":"DTXSID3029312","Formula":"C11H8O3","All.Compound.Names":"6-hydroxy-2-naphthoic acid|Dtxsid3029312|16712-64-4","logHenry":-8.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.16,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.978,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.063,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.1,"MP.Reference":"EPA-CCD-OPERA","MW":188.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16712-64-4"}
{"Compound":"Digoxigenin","CAS":"1672-46-4","CAS.Checksum":true,"DTXSID":"DTXSID6051778","Formula":"C23H34O5","All.Compound.Names":"Digoxigenin|Dtxsid6051778|1672-46-4","logHenry":-10.2,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.104,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.25,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.207,"logWSol.Reference":"EPA-CCD-OPERA","MP":225.7,"MP.Reference":"EPA-CCD-OPERA","MW":390.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1672-46-4"}
{"Compound":"3-(octyloxy)propanenitrile","CAS":"16728-49-7","CAS.Checksum":true,"DTXSID":"DTXSID8044599","Formula":"C11H21NO","All.Compound.Names":"3-(octyloxy)propanenitrile|Dtxsid8044599","logHenry":-4.026,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.609,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.483,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.849,"logWSol.Reference":"EPA-CCD-OPERA","MP":-47.77,"MP.Reference":"EPA-CCD-OPERA","MW":183.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16728-49-7"}
{"Compound":"Ly335979 trihydrochloride","CAS":"167465-36-3","CAS.Checksum":true,"DTXSID":"DTXSID1057662","Formula":"C32H34Cl3F2N3O2","All.Compound.Names":"Ly335979 trihydrochloride|Dtxsid1057662|167465-36-3","logHenry":-8.006,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.868,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.314,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.275,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.9,"MP.Reference":"EPA-CCD-OPERA","MW":637,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"167465-36-3"}
{"Compound":"Bisphenol a diglycidyl ether","CAS":"1675-54-3","CAS.Checksum":true,"DTXSID":"DTXSID6024624","Formula":"C21H24O4","All.Compound.Names":"Bisphenol a diglycidyl ether|Dtxsid6024624","logHenry":-5.378,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.364,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.107,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.482,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.74,"MP.Reference":"EPA-CCD-OPERA","MW":340.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1675-54-3"}
{"Compound":"L-oxyfedrine hydrochloride","CAS":"16777-42-7","CAS.Checksum":true,"DTXSID":"DTXSID0048632","Formula":"C19H24ClNO3","All.Compound.Names":"L-oxyfedrine hydrochloride|Dtxsid0048632|16777-42-7","logHenry":-9.68,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3418,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.944,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.848,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.5,"MP.Reference":"EPA-CCD-OPERA","MW":349.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16777-42-7"}
{"Compound":"Ethylcyclohexane","CAS":"1678-91-7","CAS.Checksum":true,"DTXSID":"DTXSID1051779","Formula":"C8H16","All.Compound.Names":"Ethylcyclohexane|Dtxsid1051779","logHenry":-0.8801,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.559,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6833,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.268,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.5,"MP.Reference":"EPA-CCD-OPERA","MW":112.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1678-91-7"}
{"Compound":"Cyclopentanethiol","CAS":"1679-07-8","CAS.Checksum":true,"DTXSID":"DTXSID1047108","Formula":"C5H10S","All.Compound.Names":"Cyclopentanethiol|Dtxsid1047108|1679-07-8","logHenry":-2.536,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.101,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.117,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.177,"logWSol.Reference":"EPA-CCD-OPERA","MP":-126.2,"MP.Reference":"EPA-CCD-OPERA","MW":102.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1679-07-8"}
{"Compound":"Cyclohex-3-en-1-ylmethanol","CAS":"1679-51-2","CAS.Checksum":true,"DTXSID":"DTXSID0044600","Formula":"C7H12O","All.Compound.Names":"Cyclohex-3-en-1-ylmethanol|Dtxsid0044600|1679-51-2","logHenry":-5.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.261,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.745,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6278,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.56,"MP.Reference":"EPA-CCD-OPERA","MW":112.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1679-51-2"}
{"Compound":"1,4-benzenedicarboxylic acid, monomethyl ester","CAS":"1679-64-7","CAS.Checksum":true,"DTXSID":"DTXSID1027425","Formula":"C9H8O4","All.Compound.Names":"1,4-benzenedicarboxylic acid, monomethyl ester|Methyl hydrogen terephthalate|Dtxsid1027425|1679-64-7","logHenry":-8.561,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.63,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.123,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.958,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.1,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1679-64-7"}
{"Compound":"Pantethine","CAS":"16816-67-4","CAS.Checksum":true,"DTXSID":"DTXSID9046815","Formula":"C22H42N4O8S2","All.Compound.Names":"Pantethine|Dtxsid9046815","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.311,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.89,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.38,"logWSol.Reference":"EPA-CCD-OPERA","MP":181,"MP.Reference":"EPA-CCD-OPERA","MW":554.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16816-67-4"}
{"Compound":"Rimonabant","CAS":"168273-06-1","CAS.Checksum":true,"DTXSID":"DTXSID3046453","Formula":"C22H21Cl3N4O","All.Compound.Names":"Rimonabant|Dtxsid3046453|168273-06-1","logHenry":-8.056,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.667,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.558,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.295,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.4,"MP.Reference":"EPA-CCD-OPERA","MW":463.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"168273-06-1"}
{"Compound":"1,2,3,4-tetrahydro-9-acridinamine hydrochloride","CAS":"1684-40-8","CAS.Checksum":true,"DTXSID":"DTXSID1026112","Formula":"C13H15ClN2","All.Compound.Names":"1,2,3,4-tetrahydro-9-acridinamine hydrochloride|Dtxsid1026112|1684-40-8","logHenry":-7.558,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6926,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.947,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.689,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.7,"MP.Reference":"EPA-CCD-OPERA","MW":234.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1684-40-8"}
{"Compound":"Josamycin","CAS":"16846-24-5","CAS.Checksum":true,"DTXSID":"DTXSID8023183","Formula":"C42H69NO15","All.Compound.Names":"Josamycin|Dtxsid8023183|16846-24-5","logHenry":-10.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.394,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.195,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.989,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.4,"MP.Reference":"EPA-CCD-OPERA","MW":828,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16846-24-5"}
{"Compound":"Benzoclidine","CAS":"16852-81-6","CAS.Checksum":true,"DTXSID":"DTXSID0046191","Formula":"C14H17NO2","All.Compound.Names":"Benzoclidine|Dtxsid0046191|16852-81-6","logHenry":-7.846,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.359,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.024,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.703,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.9,"MP.Reference":"EPA-CCD-OPERA","MW":231.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16852-81-6"}
{"Compound":"3-hydroxy-2-pyridone","CAS":"16867-04-2","CAS.Checksum":true,"DTXSID":"DTXSID0051782","Formula":"C5H5NO2","All.Compound.Names":"3-hydroxy-2-pyridone|Dtxsid0051782|16867-04-2","logHenry":-6.524,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1112,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.078,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1872,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.59,"MP.Reference":"EPA-CCD-OPERA","MW":111.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16867-04-2"}
{"Compound":"Amogastrin","CAS":"16870-37-4","CAS.Checksum":true,"DTXSID":"DTXSID8048577","Formula":"C35H46N6O8S","All.Compound.Names":"Amogastrin|Dtxsid8048577|16870-37-4","logHenry":-10.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7981,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.38,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.292,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.1,"MP.Reference":"EPA-CCD-OPERA","MW":710.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16870-37-4"}
{"Compound":"Borate(1-), tetrafluoro-, hydrogen","CAS":"16872-11-0","CAS.Checksum":true,"DTXSID":"DTXSID8029739","Formula":"BF4H","All.Compound.Names":"Borate(1-), tetrafluoro-, hydrogen|Fluoboric acid","MW":87.81,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16872-11-0"}
{"Compound":"Pmic chloride","CAS":"16883-16-2","CAS.Checksum":true,"DTXSID":"DTXSID6057663","Formula":"C11H8ClNO2","All.Compound.Names":"Pmic chloride|3-phenyl-5-methylisoxazole-4-carbonyl chloride|Dtxsid6057663","logHenry":-7.561,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.82,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.564,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.196,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.54,"MP.Reference":"EPA-CCD-OPERA","MW":221.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16883-16-2"}
{"Compound":"P-phenylazophenol","CAS":"1689-82-3","CAS.Checksum":true,"DTXSID":"DTXSID3022160","Formula":"C12H10N2O","All.Compound.Names":"P-phenylazophenol|4-hydroxyazobenzene|Dtxsid3022160|1689-82-3","logHenry":-7.073,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.037,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.518,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.341,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.8,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1689-82-3"}
{"Compound":"Ioxynil","CAS":"1689-83-4","CAS.Checksum":true,"DTXSID":"DTXSID8022161","Formula":"C7H3I2NO","All.Compound.Names":"Ioxynil|Dtxsid8022161|1689-83-4","logHenry":-6.876,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.43,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.73,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.361,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.5,"MP.Reference":"EPA-CCD-OPERA","MW":370.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1689-83-4"}
{"Compound":"Bromoxynil octanoate","CAS":"1689-99-2","CAS.Checksum":true,"DTXSID":"DTXSID7023932","Formula":"C15H17Br2NO2","All.Compound.Names":"Bromoxynil octanoate|Dtxsid7023932","logHenry":-8.034,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.398,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.336,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.839,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.52,"MP.Reference":"EPA-CCD-OPERA","MW":403.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1689-99-2"}
{"Compound":"Sodium hexafluorosilicate","CAS":"16893-85-9","CAS.Checksum":true,"DTXSID":"DTXSID9036933","Formula":"F6Na2Si","All.Compound.Names":"Sodium hexafluorosilicate","MW":188.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16893-85-9"}
{"Compound":"1,2-dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide","CAS":"169051-76-7","CAS.Checksum":true,"DTXSID":"DTXSID1049227","Formula":"C10H15F6N3O4S2","All.Compound.Names":"1,2-dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide","MW":419.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"169051-76-7"}
{"Compound":"Nifursol","CAS":"16915-70-1","CAS.Checksum":true,"DTXSID":"DTXSID0046226","Formula":"C12H7N5O9","All.Compound.Names":"Nifursol|Dtxsid0046226|16915-70-1","logHenry":-9.183,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.928,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.928,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.142,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.8,"MP.Reference":"EPA-CCD-OPERA","MW":365.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16915-70-1"}
{"Compound":"Ammonium hexafluorosilicate","CAS":"16919-19-0","CAS.Checksum":true,"DTXSID":"DTXSID6047076","Formula":"F6H8N2Si","All.Compound.Names":"Ammonium hexafluorosilicate","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16919-19-0"}
{"Compound":"Rac nebivolol hydrochloride","CAS":"169293-50-9","CAS.Checksum":true,"DTXSID":"DTXSID1049065","Formula":"C22H26ClF2NO4","All.Compound.Names":"Rac nebivolol hydrochloride|Dtxsid1049065|169293-50-9","logHenry":-9.782,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9582,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.376,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.476,"logWSol.Reference":"EPA-CCD-OPERA","MP":253.2,"MP.Reference":"EPA-CCD-OPERA","MW":441.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"169293-50-9"}
{"Compound":"Parapropamol","CAS":"1693-37-4","CAS.Checksum":true,"DTXSID":"DTXSID7046419","Formula":"C9H11NO2","All.Compound.Names":"Parapropamol|Dtxsid7046419","logHenry":-8.261,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6469,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.453,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.787,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.7,"MP.Reference":"EPA-CCD-OPERA","MW":165.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1693-37-4"}
{"Compound":"Tert-butyl 3-oxobutanoate","CAS":"1694-31-1","CAS.Checksum":true,"DTXSID":"DTXSID4044402","Formula":"C8H14O3","All.Compound.Names":"Tert-butyl 3-oxobutanoate|Dtxsid4044402","logHenry":-4.877,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.501,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.921,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.608,"logWSol.Reference":"EPA-CCD-OPERA","MP":-30.68,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1694-31-1"}
{"Compound":"Deracoxib","CAS":"169590-41-4","CAS.Checksum":true,"DTXSID":"DTXSID4045975","Formula":"C17H14F3N3O3S","All.Compound.Names":"Deracoxib|Dtxsid4045975|169590-41-4","logHenry":-8.907,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.706,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.909,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.642,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.9,"MP.Reference":"EPA-CCD-OPERA","MW":397.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.37","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"169590-41-4"}
{"Compound":"Celecoxib","CAS":"169590-42-5","CAS.Checksum":true,"DTXSID":"DTXSID0022777","Formula":"C17H14F3N3O2S","All.Compound.Names":"Celecoxib|Dtxsid0022777|169590-42-5","logHenry":-8.288,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.566,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.302,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.376,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.1,"MP.Reference":"EPA-CCD-OPERA","MW":381.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.87","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"101,44.8,227","Human.Caco2.Pab.Reference":"ChEMBL,Lanevskij","Human.Clint":"25.7","Human.Clint.Reference":"Dawson 2021","Rat.Clint":"2.93","Rat.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"169590-42-5"}
{"Compound":"2-hydroxy-3-phenoxypropyl prop-2-enoate","CAS":"16969-10-1","CAS.Checksum":true,"DTXSID":"DTXSID1044851","Formula":"C12H14O4","All.Compound.Names":"2-hydroxy-3-phenoxypropyl prop-2-enoate|Dtxsid1044851|16969-10-1","logHenry":-9.583,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.154,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.102,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.87,"MP.Reference":"EPA-CCD-OPERA","MW":222.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16969-10-1"}
{"Compound":"3-amino-4-ethoxyacetanilide","CAS":"17026-81-2","CAS.Checksum":true,"DTXSID":"DTXSID7020053","Formula":"C10H14N2O2","All.Compound.Names":"3-amino-4-ethoxyacetanilide|Dtxsid7020053|17026-81-2","logHenry":-9.123,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.679,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.51,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.022,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.3,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17026-81-2"}
{"Compound":"1,2,3,4-butanetetracarboxylic acid","CAS":"1703-58-8","CAS.Checksum":true,"DTXSID":"DTXSID6024670","Formula":"C8H10O8","All.Compound.Names":"1,2,3,4-butanetetracarboxylic acid|Dtxsid6024670|1703-58-8","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3775,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.783,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3343,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.8,"MP.Reference":"EPA-CCD-OPERA","MW":234.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1703-58-8"}
{"Compound":"Enzastaurin","CAS":"170364-57-5","CAS.Checksum":true,"DTXSID":"DTXSID5044029","Formula":"C32H29N5O2","All.Compound.Names":"Enzastaurin|Dtxsid5044029|170364-57-5","logHenry":-7.61,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.662,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.713,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.356,"logWSol.Reference":"EPA-CCD-OPERA","MP":147,"MP.Reference":"EPA-CCD-OPERA","MW":515.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"170364-57-5"}
{"Compound":"2-[2-(dimethylamino)ethoxy]ethanol","CAS":"1704-62-7","CAS.Checksum":true,"DTXSID":"DTXSID1027427","Formula":"C6H15NO2","All.Compound.Names":"2-[2-(dimethylamino)ethoxy]ethanol|Dtxsid1027427|1704-62-7","logHenry":-8.475,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.02256,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.995,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9388,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.237,"MP.Reference":"EPA-CCD-OPERA","MW":133.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1704-62-7"}
{"Compound":"Demeton-s-methylsulphon","CAS":"17040-19-6","CAS.Checksum":true,"DTXSID":"DTXSID4037582","Formula":"C6H15O5PS2","All.Compound.Names":"Demeton-s-methylsulphon|Dtxsid4037582|Demeton-s-methyl sulfone","logHenry":-6.419,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8757,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.299,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.671,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.31,"MP.Reference":"EPA-CCD-OPERA","MW":262.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17040-19-6"}
{"Compound":"Phenmetrazine hydrochloride","CAS":"1707-14-8","CAS.Checksum":true,"DTXSID":"DTXSID0047822","Formula":"C11H16ClNO","All.Compound.Names":"Phenmetrazine hydrochloride|Dtxsid0047822|1707-14-8","logHenry":-6.322,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.112,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.536,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.825,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.1,"MP.Reference":"EPA-CCD-OPERA","MW":213.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1707-14-8"}
{"Compound":"Metazide","CAS":"1707-15-9","CAS.Checksum":true,"DTXSID":"DTXSID9046239","Formula":"C13H14N6O2","All.Compound.Names":"Metazide|Dtxsid9046239|1707-15-9","logHenry":-9.983,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.253,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.134,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.976,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.3,"MP.Reference":"EPA-CCD-OPERA","MW":286.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1707-15-9"}
{"Compound":"Calcium hopantenate","CAS":"17097-76-6","CAS.Checksum":true,"DTXSID":"DTXSID9046653","Formula":"C20H36CaN2O10","All.Compound.Names":"Calcium hopantenate|Dtxsid9046653|17097-76-6","logHenry":-8.652,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.775,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.18,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1222,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.3,"MP.Reference":"EPA-CCD-OPERA","MW":504.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.79","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17097-76-6"}
{"Compound":"(2e,4e)-hexa-2,4-dien-1-ol","CAS":"17102-64-6","CAS.Checksum":true,"DTXSID":"DTXSID3047631","Formula":"C6H10O","All.Compound.Names":"(2e,4e)-hexa-2,4-dien-1-ol|Dtxsid3047631|17102-64-6","logHenry":-5.253,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.364,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.183,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2395,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.2,"MP.Reference":"EPA-CCD-OPERA","MW":98.14,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17102-64-6"}
{"Compound":"Lotrafiban (isomer-i)","CAS":"171049-14-2","CAS.Checksum":true,"DTXSID":"DTXSID7057602","Formula":"C23H32N4O4","All.Compound.Names":"Lotrafiban (isomer-i)|Lotrafiban|Dtxsid7057602|171049-14-2","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.366,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.057,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.525,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.1,"MP.Reference":"EPA-CCD-OPERA","MW":428.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.87","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"171049-14-2"}
{"Compound":"1-hexyl-3-methylimidazolium chloride","CAS":"171058-17-6","CAS.Checksum":true,"DTXSID":"DTXSID1047948","Formula":"C10H19ClN2","All.Compound.Names":"1-hexyl-3-methylimidazolium chloride|Dtxsid1047948|171058-17-6","logHenry":-2.979,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2629,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.071,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.974,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.7,"MP.Reference":"EPA-CCD-OPERA","MW":202.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"171058-17-6"}
{"Compound":"1-decyl-3-methylimidazolium chloride","CAS":"171058-18-7","CAS.Checksum":true,"DTXSID":"DTXSID6049228","Formula":"C14H27ClN2","All.Compound.Names":"1-decyl-3-methylimidazolium chloride|Dtxsid6049228|171058-18-7","logHenry":-3.737,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6763,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.738,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.233,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.7,"MP.Reference":"EPA-CCD-OPERA","MW":258.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"171058-18-7"}
{"Compound":"1-methyl-3-tetradecylimidazolium chloride","CAS":"171058-21-2","CAS.Checksum":true,"DTXSID":"DTXSID1049229","Formula":"C18H35ClN2","All.Compound.Names":"1-methyl-3-tetradecylimidazolium chloride|Dtxsid1049229|171058-21-2","logHenry":-5.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5352,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.834,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.024,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.5,"MP.Reference":"EPA-CCD-OPERA","MW":314.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"171058-21-2"}
{"Compound":"Edifenphos","CAS":"17109-49-8","CAS.Checksum":true,"DTXSID":"DTXSID7041910","Formula":"C14H15O2PS2","All.Compound.Names":"Edifenphos|Dtxsid7041910","logHenry":-5.024,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.481,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.05,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.541,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.1,"MP.Reference":"EPA-CCD-OPERA","MW":310.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17109-49-8"}
{"Compound":"Metolachlor esa","CAS":"171118-09-5","CAS.Checksum":true,"DTXSID":"DTXSID1037567","Formula":"C15H23NO5S","All.Compound.Names":"Metolachlor esa|Dtxsid1037567|171118-09-5","logHenry":-9.363,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.866,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.759,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.166,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.1,"MP.Reference":"EPA-CCD-OPERA","MW":329.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"171118-09-5"}
{"Compound":"2,4-d-isobutyl","CAS":"1713-15-1","CAS.Checksum":true,"DTXSID":"DTXSID6041347","Formula":"C12H14Cl2O3","All.Compound.Names":"2,4-d-isobutyl|Dtxsid6041347","logHenry":-7.714,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.973,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.831,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.076,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.82,"MP.Reference":"EPA-CCD-OPERA","MW":277.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1713-15-1"}
{"Compound":"2-chloroanthracene","CAS":"17135-78-3","CAS.Checksum":true,"DTXSID":"DTXSID0049230","Formula":"C14H9Cl","All.Compound.Names":"2-chloroanthracene|Dtxsid0049230","logHenry":-3.674,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.18,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.028,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.808,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.48,"MP.Reference":"EPA-CCD-OPERA","MW":212.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17135-78-3"}
{"Compound":"Alexidine dihydrochloride","CAS":"1715-30-6","CAS.Checksum":true,"DTXSID":"DTXSID5045881","Formula":"C26H58Cl2N10","All.Compound.Names":"Alexidine dihydrochloride|Dtxsid5045881|1715-30-6","logHenry":-8.97,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.054,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.542,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.582,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.9,"MP.Reference":"EPA-CCD-OPERA","MW":581.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"12.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1715-30-6"}
{"Compound":"Bromociclen","CAS":"1715-40-8","CAS.Checksum":true,"DTXSID":"DTXSID6041680","Formula":"C8H5BrCl6","All.Compound.Names":"Bromociclen|Dtxsid6041680","logHenry":-4.07,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.901,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.091,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.323,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.04,"MP.Reference":"EPA-CCD-OPERA","MW":393.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1715-40-8"}
{"Compound":"Tadalafil","CAS":"171596-29-5","CAS.Checksum":true,"DTXSID":"DTXSID9046786","Formula":"C22H19N3O4","All.Compound.Names":"Tadalafil|171596-29-5|Dtxsid9046786","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.941,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.31,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.615,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.6,"MP.Reference":"EPA-CCD-OPERA","MW":389.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.16,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"171596-29-5"}
{"Compound":"Sildenafil citrate","CAS":"171599-83-0","CAS.Checksum":true,"DTXSID":"DTXSID4046076","Formula":"C28H38N6O11S","All.Compound.Names":"Sildenafil citrate|Dtxsid4046076|171599-83-0","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.837,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.422,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.739,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.6,"MP.Reference":"EPA-CCD-OPERA","MW":666.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"171599-83-0"}
{"Compound":"Sodium 4-phenylbutyrate","CAS":"1716-12-7","CAS.Checksum":true,"DTXSID":"DTXSID7040948","Formula":"C10H11NaO2","All.Compound.Names":"Sodium 4-phenylbutyrate|Dtxsid7040948|1716-12-7","logHenry":-7.394,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7652,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.501,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.234,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.3,"MP.Reference":"EPA-CCD-OPERA","MW":186.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1716-12-7"}
{"Compound":"Darusentan","CAS":"171714-84-4","CAS.Checksum":true,"DTXSID":"DTXSID1057664","Formula":"C22H22N2O6","All.Compound.Names":"Darusentan|Dtxsid1057664|171714-84-4","logHenry":-8.458,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.158,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.16,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.086,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.3,"MP.Reference":"EPA-CCD-OPERA","MW":410.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.42","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"1.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"171714-84-4"}
{"Compound":"Cp-283097","CAS":"171866-31-2","CAS.Checksum":true,"DTXSID":"DTXSID8047264","Formula":"C20H22FNO4","All.Compound.Names":"Cp-283097|Dtxsid8047264|171866-31-2","logHenry":-10.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.903,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.398,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.821,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.5,"MP.Reference":"EPA-CCD-OPERA","MW":359.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.32","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"171866-31-2"}
{"Compound":"Palmatine chloride hydrate","CAS":"171869-95-7","CAS.Checksum":true,"DTXSID":"DTXSID1047869","Formula":"C21H24ClNO5","All.Compound.Names":"Palmatine chloride hydrate|Dtxsid1047869|171869-95-7","logHenry":-5.017,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.646,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.065,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.633,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.4,"MP.Reference":"EPA-CCD-OPERA","MW":405.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"171869-95-7"}
{"Compound":"Chloro(dimethyl)vinylsilane","CAS":"1719-58-0","CAS.Checksum":true,"DTXSID":"DTXSID5042378","Formula":"C4H9ClSi","All.Compound.Names":"Chloro(dimethyl)vinylsilane|Dtxsid5042378","logHenry":-0.6884,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.842,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5886,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.634,"logWSol.Reference":"EPA-CCD-OPERA","MP":-66.06,"MP.Reference":"EPA-CCD-OPERA","MW":120.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1719-58-0"}
{"Compound":"3-[bis(2-hydroxyethyl)amino]propanenitrile","CAS":"17209-72-2","CAS.Checksum":true,"DTXSID":"DTXSID5044603","Formula":"C7H14N2O2","All.Compound.Names":"3-[bis(2-hydroxyethyl)amino]propanenitrile|Dtxsid5044603|17209-72-2","logHenry":-9.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7464,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.592,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8669,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.96,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17209-72-2"}
{"Compound":"Mepivicaine hydrochloride","CAS":"1722-62-9","CAS.Checksum":true,"DTXSID":"DTXSID4031566","Formula":"C15H23ClN2O","All.Compound.Names":"Mepivicaine hydrochloride|Dtxsid4031566|1722-62-9","logHenry":-9.529,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6808,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.957,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.552,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.4,"MP.Reference":"EPA-CCD-OPERA","MW":282.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1722-62-9"}
{"Compound":"Danazol","CAS":"17230-88-5","CAS.Checksum":true,"DTXSID":"DTXSID2022880","Formula":"C22H27NO2","All.Compound.Names":"Danazol|Dtxsid2022880|17230-88-5","logHenry":-8.494,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.929,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.841,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.508,"logWSol.Reference":"EPA-CCD-OPERA","MP":225.5,"MP.Reference":"EPA-CCD-OPERA","MW":337.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17230-88-5"}
{"Compound":"Cyclododecanol","CAS":"1724-39-6","CAS.Checksum":true,"DTXSID":"DTXSID1027429","Formula":"C12H24O","All.Compound.Names":"Cyclododecanol|Dtxsid1027429|1724-39-6","logHenry":-5.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.532,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.062,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.049,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.32,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1724-39-6"}
{"Compound":"Mefenorex","CAS":"17243-57-1","CAS.Checksum":true,"DTXSID":"DTXSID6057665","Formula":"C12H18ClN","All.Compound.Names":"Mefenorex|Dtxsid6057665|17243-57-1","logHenry":-5.708,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.883,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.918,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.753,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.747,"MP.Reference":"EPA-CCD-OPERA","MW":211.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17243-57-1"}
{"Compound":"4,4'-propane-1,3-diyldipyridine","CAS":"17252-51-6","CAS.Checksum":true,"DTXSID":"DTXSID6044852","Formula":"C13H14N2","All.Compound.Names":"4,4'-propane-1,3-diyldipyridine|Dtxsid6044852|17252-51-6","logHenry":-4.103,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.78,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.733,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.332,"logWSol.Reference":"EPA-CCD-OPERA","MP":105,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17252-51-6"}
{"Compound":"Dimetamfetamine","CAS":"17279-39-9","CAS.Checksum":true,"DTXSID":"DTXSID5046146","Formula":"C11H17N","All.Compound.Names":"Dimetamfetamine|Dtxsid5046146|17279-39-9","logHenry":-3.561,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.167,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.914,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.328,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.42,"MP.Reference":"EPA-CCD-OPERA","MW":163.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17279-39-9"}
{"Compound":"2-tert-butylcyclohexanone","CAS":"1728-46-7","CAS.Checksum":true,"DTXSID":"DTXSID5047081","Formula":"C10H18O","All.Compound.Names":"2-tert-butylcyclohexanone|Dtxsid5047081","logHenry":-3.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.187,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.678,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.366,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.99,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1728-46-7"}
{"Compound":"Dihydro-beta-ionone","CAS":"17283-81-7","CAS.Checksum":true,"DTXSID":"DTXSID4047200","Formula":"C13H22O","All.Compound.Names":"Dihydro-beta-ionone|Dtxsid4047200","logHenry":-3.461,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.269,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.395,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.58,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.41,"MP.Reference":"EPA-CCD-OPERA","MW":194.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17283-81-7"}
{"Compound":"Tetridamine","CAS":"17289-49-5","CAS.Checksum":true,"DTXSID":"DTXSID1046130","Formula":"C9H15N3","All.Compound.Names":"Tetridamine|Dtxsid1046130|17289-49-5","logHenry":-6.858,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.71,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.045,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.827,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.18,"MP.Reference":"EPA-CCD-OPERA","MW":165.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17289-49-5"}
{"Compound":"Methyl 2,3-dibromopropionate","CAS":"1729-67-5","CAS.Checksum":true,"DTXSID":"DTXSID2042145","Formula":"C4H6Br2O2","All.Compound.Names":"Methyl 2,3-dibromopropionate|Dtxsid2042145","logHenry":-6.397,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.063,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.258,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8222,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.54,"MP.Reference":"EPA-CCD-OPERA","MW":245.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1729-67-5"}
{"Compound":"Butafosfan","CAS":"17316-67-5","CAS.Checksum":true,"DTXSID":"DTXSID5048681","Formula":"C7H18NO2P","All.Compound.Names":"Butafosfan|Dtxsid5048681","logHenry":-6.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.022,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.931,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8577,"logWSol.Reference":"EPA-CCD-OPERA","MP":117,"MP.Reference":"EPA-CCD-OPERA","MW":179.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17316-67-5"}
{"Compound":"Dimethyl nonanedioate","CAS":"1732-10-1","CAS.Checksum":true,"DTXSID":"DTXSID1044807","Formula":"C11H20O4","All.Compound.Names":"Dimethyl nonanedioate|Dtxsid1044807","logHenry":-6.962,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.059,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.059,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.6,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.4,"MP.Reference":"EPA-CCD-OPERA","MW":216.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1732-10-1"}
{"Compound":"Phosphoramidothioic acid, o,o-dimethyl ester","CAS":"17321-47-0","CAS.Checksum":true,"DTXSID":"DTXSID4027789","Formula":"C2H8NO2PS","All.Compound.Names":"Phosphoramidothioic acid, o,o-dimethyl ester|O,o-dimethyl phosphoramidothioate|Dtxsid4027789|17321-47-0","logHenry":-6.774,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1467,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.738,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7288,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.4,"MP.Reference":"EPA-CCD-OPERA","MW":141.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17321-47-0"}
{"Compound":"Aliskiren hydrochloride","CAS":"173399-03-6","CAS.Checksum":true,"DTXSID":"DTXSID3049045","Formula":"C30H54ClN3O6","All.Compound.Names":"Aliskiren hydrochloride|Dtxsid3049045|173399-03-6","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.042,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.45,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.728,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.5,"MP.Reference":"EPA-CCD-OPERA","MW":588.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"173399-03-6"}
{"Compound":"1,4-bis[(ethenyloxy)methyl]cyclohexane","CAS":"17351-75-6","CAS.Checksum":true,"DTXSID":"DTXSID0044604","Formula":"C12H20O2","All.Compound.Names":"1,4-bis[(ethenyloxy)methyl]cyclohexane|Dtxsid0044604","logHenry":-3.299,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.652,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.115,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.247,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.66,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17351-75-6"}
{"Compound":"1,4-bis(butylamino)anthracene-9,10-dione","CAS":"17354-14-2","CAS.Checksum":true,"DTXSID":"DTXSID5044605","Formula":"C22H26N2O2","All.Compound.Names":"1,4-bis(butylamino)anthracene-9,10-dione|Dtxsid5044605|17354-14-2","logHenry":-9.444,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.903,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.659,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.356,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.5,"MP.Reference":"EPA-CCD-OPERA","MW":350.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17354-14-2"}
{"Compound":"3-propylidenephthalide","CAS":"17369-59-4","CAS.Checksum":true,"DTXSID":"DTXSID7025972","Formula":"C11H10O2","All.Compound.Names":"3-propylidenephthalide|Dtxsid7025972","logHenry":-5.223,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.679,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.196,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.29,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.61,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17369-59-4"}
{"Compound":"2-iodoethylbenzene","CAS":"17376-04-4","CAS.Checksum":true,"DTXSID":"DTXSID5025447","Formula":"C8H9I","All.Compound.Names":"2-iodoethylbenzene|Dtxsid5025447","logHenry":-3.263,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.441,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.321,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.006,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.569,"MP.Reference":"EPA-CCD-OPERA","MW":232.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17376-04-4"}
{"Compound":"3-dimethylaminopropionitrile","CAS":"1738-25-6","CAS.Checksum":true,"DTXSID":"DTXSID0027432","Formula":"C5H10N2","All.Compound.Names":"3-dimethylaminopropionitrile|Dtxsid0027432|1738-25-6","logHenry":-6.215,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.08882,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.755,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9789,"logWSol.Reference":"EPA-CCD-OPERA","MP":-63.64,"MP.Reference":"EPA-CCD-OPERA","MW":98.15,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.11","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1738-25-6"}
{"Compound":"Alpha-tomatine","CAS":"17406-45-0","CAS.Checksum":true,"DTXSID":"DTXSID5040413","Formula":"C50H83NO21","All.Compound.Names":"Alpha-tomatine|Dtxsid5040413|17406-45-0","logHenry":-10.62,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6785,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.3,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.18,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.2,"MP.Reference":"EPA-CCD-OPERA","MW":1034,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17406-45-0"}
{"Compound":"Dicarbine","CAS":"17411-19-7","CAS.Checksum":true,"DTXSID":"DTXSID0046193","Formula":"C13H18N2","All.Compound.Names":"Dicarbine|Dtxsid0046193|17411-19-7","logHenry":-6.875,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.312,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.449,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.708,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.7,"MP.Reference":"EPA-CCD-OPERA","MW":202.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17411-19-7"}
{"Compound":"C.i. disperse red 60","CAS":"17418-58-5","CAS.Checksum":true,"DTXSID":"DTXSID2025210","Formula":"C20H13NO4","All.Compound.Names":"C.i. disperse red 60|Dtxsid2025210|17418-58-5","logHenry":-9.863,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.603,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.903,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.705,"logWSol.Reference":"EPA-CCD-OPERA","MP":239.2,"MP.Reference":"EPA-CCD-OPERA","MW":331.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17418-58-5"}
{"Compound":"Fr167356","CAS":"174185-16-1","CAS.Checksum":true,"DTXSID":"DTXSID1048174","Formula":"C19H17Cl2NO3","All.Compound.Names":"Fr167356|Dtxsid1048174|174185-16-1","logHenry":-9.154,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.413,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.114,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.898,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.8,"MP.Reference":"EPA-CCD-OPERA","MW":378.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"174185-16-1"}
{"Compound":"1,1-bis(3,4-dimethylphenyl)ethane","CAS":"1742-14-9","CAS.Checksum":true,"DTXSID":"DTXSID9029223","Formula":"C18H22","All.Compound.Names":"1,1-bis(3,4-dimethylphenyl)ethane|Dtxsid9029223","logHenry":-3.392,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.826,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.048,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.384,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.45,"MP.Reference":"EPA-CCD-OPERA","MW":238.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1742-14-9"}
{"Compound":"Benzonitrile, 2-amino-5-nitro-","CAS":"17420-30-3","CAS.Checksum":true,"DTXSID":"DTXSID0038839","Formula":"C7H5N3O2","All.Compound.Names":"Benzonitrile, 2-amino-5-nitro-|2-amino-5-nitrobenzonitrile|Dtxsid0038839|17420-30-3","logHenry":-8.271,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5879,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.794,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.588,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.1,"MP.Reference":"EPA-CCD-OPERA","MW":163.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17420-30-3"}
{"Compound":"Tipranavir","CAS":"174484-41-4","CAS.Checksum":true,"DTXSID":"DTXSID6048622","Formula":"C31H33F3N2O5S","All.Compound.Names":"Tipranavir|Dtxsid6048622|174484-41-4","logHenry":-7.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.166,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.402,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.951,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.2,"MP.Reference":"EPA-CCD-OPERA","MW":602.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"174484-41-4"}
{"Compound":"2-allylphenol","CAS":"1745-81-9","CAS.Checksum":true,"DTXSID":"DTXSID3022164","Formula":"C9H10O","All.Compound.Names":"2-allylphenol|Dtxsid3022164|1745-81-9","logHenry":-6.296,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.391,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.416,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.646,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.475,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1745-81-9"}
{"Compound":"1-butyl-3-methylimidazolium hexafluorophosphate","CAS":"174501-64-5","CAS.Checksum":true,"DTXSID":"DTXSID4047911","Formula":"C8H15F6N2P","All.Compound.Names":"1-butyl-3-methylimidazolium hexafluorophosphate|Dtxsid4047911|174501-64-5","logHenry":-2.096,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7133,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.295,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.5,"MP.Reference":"EPA-CCD-OPERA","MW":284.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"174501-64-5"}
{"Compound":"1-butyl-3-methylimidazolium tetrafluoroborate","CAS":"174501-65-6","CAS.Checksum":true,"DTXSID":"DTXSID5049231","Formula":"C8H15BF4N2","All.Compound.Names":"1-butyl-3-methylimidazolium tetrafluoroborate|Dtxsid5049231|174501-65-6","logHenry":-2.096,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6609,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.348,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.2,"MP.Reference":"EPA-CCD-OPERA","MW":226,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"174501-65-6"}
{"Compound":"2,3,7,8-tetrachlorodibenzo-p-dioxin","CAS":"1746-01-6","CAS.Checksum":true,"DTXSID":"DTXSID2021315","Formula":"C12H4Cl4O2","All.Compound.Names":"2,3,7,8-tetrachlorodibenzo-p-dioxin|Dtxsid2021315|2,3,7,8-tetrachlorodibenzo-1,4-dioxin","logHenry":-5.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.609,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.368,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-9.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":303.1,"MP.Reference":"EPA-CCD-OPERA","MW":322,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1746-01-6"}
{"Compound":"4-tert-butylstyrene","CAS":"1746-23-2","CAS.Checksum":true,"DTXSID":"DTXSID0022305","Formula":"C12H16","All.Compound.Names":"4-tert-butylstyrene|Dtxsid0022305","logHenry":-2.103,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.073,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9998,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.946,"logWSol.Reference":"EPA-CCD-OPERA","MP":-60.7,"MP.Reference":"EPA-CCD-OPERA","MW":160.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1746-23-2"}
{"Compound":"Gamma-cyclodextrin","CAS":"17465-86-0","CAS.Checksum":true,"DTXSID":"DTXSID5047033","Formula":"C48H80O40","All.Compound.Names":"Gamma-cyclodextrin|Dtxsid5047033","logHenry":-11.6,"logHenry.Reference":"OPERA29","logP":1.35,"logP.Reference":"OPERA29","logWSol":-2.32,"logWSol.Reference":"OPERA29","MP":250,"MP.Reference":"OPERA29","MW":1297,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17465-86-0"}
{"Compound":"2-amino-6-methoxybenzothiazole","CAS":"1747-60-0","CAS.Checksum":true,"DTXSID":"DTXSID9024485","Formula":"C8H8N2OS","All.Compound.Names":"2-amino-6-methoxybenzothiazole|6-methoxy-2-benzothiazolamine|Dtxsid9024485|1747-60-0","logHenry":-8.598,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.204,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.98,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.419,"logWSol.Reference":"EPA-CCD-OPERA","MP":166,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1747-60-0"}
{"Compound":"Dihydroergocristine","CAS":"17479-19-5","CAS.Checksum":true,"DTXSID":"DTXSID3046322","Formula":"C35H41N5O5","All.Compound.Names":"Dihydroergocristine|Dtxsid3046322|17479-19-5","logHenry":-10.34,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.021,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.566,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.685,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.7,"MP.Reference":"EPA-CCD-OPERA","MW":611.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17479-19-5"}
{"Compound":"1-butyl-3-methylimidazolium trifluoromethanesulfonate","CAS":"174899-66-2","CAS.Checksum":true,"DTXSID":"DTXSID0049232","Formula":"C9H15F3N2O3S","All.Compound.Names":"1-butyl-3-methylimidazolium trifluoromethanesulfonate|Dtxsid0049232|174899-66-2","logHenry":-2.096,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7513,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.257,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.9,"MP.Reference":"EPA-CCD-OPERA","MW":288.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"174899-66-2"}
{"Compound":"1-ethyl-2,3-dimethylimidazolium trifluoromethanesulfonate","CAS":"174899-72-0","CAS.Checksum":true,"DTXSID":"DTXSID5049233","Formula":"C8H13F3N2O3S","All.Compound.Names":"1-ethyl-2,3-dimethylimidazolium trifluoromethanesulfonate|Dtxsid5049233|174899-72-0","logHenry":-2.115,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7518,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.567,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3802,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.9,"MP.Reference":"EPA-CCD-OPERA","MW":274.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"174899-72-0"}
{"Compound":"1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide","CAS":"174899-82-2","CAS.Checksum":true,"DTXSID":"DTXSID4047967","Formula":"C8H11F6N3O4S2","All.Compound.Names":"1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide","MW":391.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"174899-82-2"}
{"Compound":"1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide","CAS":"174899-83-3","CAS.Checksum":true,"DTXSID":"DTXSID0049234","Formula":"C10H15F6N3O4S2","All.Compound.Names":"1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide","MW":419.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"174899-83-3"}
{"Compound":"1-ethyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide","CAS":"174899-90-2","CAS.Checksum":true,"DTXSID":"DTXSID5049235","Formula":"C9H13F6N3O4S2","All.Compound.Names":"1-ethyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide","MW":405.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"174899-90-2"}
{"Compound":"Oxypertine hydrochloride","CAS":"17506-66-0","CAS.Checksum":true,"DTXSID":"DTXSID6048751","Formula":"C23H30ClN3O2","All.Compound.Names":"Oxypertine hydrochloride|Dtxsid6048751|17506-66-0","logHenry":-6.607,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.8,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.471,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.421,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.9,"MP.Reference":"EPA-CCD-OPERA","MW":416,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17506-66-0"}
{"Compound":"Tyrphostin","CAS":"175178-82-2","CAS.Checksum":true,"DTXSID":"DTXSID0051447","Formula":"C16H14ClN3O2","All.Compound.Names":"Tyrphostin|N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine|Dtxsid0051447|175178-82-2","logHenry":-8.577,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.51,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.896,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.662,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.9,"MP.Reference":"EPA-CCD-OPERA","MW":315.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"175178-82-2"}
{"Compound":"Acetone thiosemicarbazide","CAS":"1752-30-3","CAS.Checksum":true,"DTXSID":"DTXSID6044480","Formula":"C4H9N3S","All.Compound.Names":"Acetone thiosemicarbazide|Dtxsid6044480|1752-30-3","logHenry":-8.133,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3004,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.587,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7854,"logWSol.Reference":"EPA-CCD-OPERA","MP":127.8,"MP.Reference":"EPA-CCD-OPERA","MW":131.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1752-30-3"}
{"Compound":"3,3'-(4-methylbenzene-1,3-diyl)bis(1,1-dimethylurea)","CAS":"17526-94-2","CAS.Checksum":true,"DTXSID":"DTXSID0044606","Formula":"C13H20N4O2","All.Compound.Names":"3,3'-(4-methylbenzene-1,3-diyl)bis(1,1-dimethylurea)|Dtxsid0044606|17526-94-2","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.453,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.932,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.04,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.5,"MP.Reference":"EPA-CCD-OPERA","MW":264.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.74","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17526-94-2"}
{"Compound":"Methyl (e)-cinnamate","CAS":"1754-62-7","CAS.Checksum":true,"DTXSID":"DTXSID5044314","Formula":"C10H10O2","All.Compound.Names":"Methyl (e)-cinnamate|Dtxsid5044314","logHenry":-6.242,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.617,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.572,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.853,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.97,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1754-62-7"}
{"Compound":"4-(butan-2-yl)-2,6-di-tert-butylphenol","CAS":"17540-75-9","CAS.Checksum":true,"DTXSID":"DTXSID8029315","Formula":"C18H30O","All.Compound.Names":"4-(butan-2-yl)-2,6-di-tert-butylphenol|Dtxsid8029315|17540-75-9","logHenry":-4.713,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.889,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.916,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.074,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.98,"MP.Reference":"EPA-CCD-OPERA","MW":262.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17540-75-9"}
{"Compound":"Neopentyl glycol diglycidyl ether","CAS":"17557-23-2","CAS.Checksum":true,"DTXSID":"DTXSID8025707","Formula":"C11H20O4","All.Compound.Names":"Neopentyl glycol diglycidyl ether|Dtxsid8025707","logHenry":-5.524,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9632,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.373,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.22,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.33,"MP.Reference":"EPA-CCD-OPERA","MW":216.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17557-23-2"}
{"Compound":"2-(chloromethyl)-1h-isoindole-1,3(2h)-dione","CAS":"17564-64-6","CAS.Checksum":true,"DTXSID":"DTXSID3027790","Formula":"C9H6ClNO2","All.Compound.Names":"2-(chloromethyl)-1h-isoindole-1,3(2h)-dione|Dtxsid3027790|17564-64-6","logHenry":-6.289,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.085,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.329,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.72,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.78,"MP.Reference":"EPA-CCD-OPERA","MW":195.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17564-64-6"}
{"Compound":"Lanatoside a","CAS":"17575-20-1","CAS.Checksum":true,"DTXSID":"DTXSID7023196","Formula":"C49H76O19","All.Compound.Names":"Lanatoside a|Dtxsid7023196|17575-20-1","logHenry":-10.21,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.359,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.373,"logWSol.Reference":"EPA-CCD-OPERA","MP":255.2,"MP.Reference":"EPA-CCD-OPERA","MW":969.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17575-20-1"}
{"Compound":"Lanatoside b","CAS":"17575-21-2","CAS.Checksum":true,"DTXSID":"DTXSID2023197","Formula":"C49H76O20","All.Compound.Names":"Lanatoside b|Dtxsid2023197|17575-21-2","logHenry":-10.23,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.00411,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.6,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.76,"logWSol.Reference":"EPA-CCD-OPERA","MP":240,"MP.Reference":"EPA-CCD-OPERA","MW":985.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17575-21-2"}
{"Compound":"Lanatoside c","CAS":"17575-22-3","CAS.Checksum":true,"DTXSID":"DTXSID7023198","Formula":"C49H76O20","All.Compound.Names":"Lanatoside c|Dtxsid7023198|17575-22-3","logHenry":-10.23,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.06934,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.527,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.757,"logWSol.Reference":"EPA-CCD-OPERA","MP":240.3,"MP.Reference":"EPA-CCD-OPERA","MW":985.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17575-22-3"}
{"Compound":"Amino(imino)methanesulfinic acid","CAS":"1758-73-2","CAS.Checksum":true,"DTXSID":"DTXSID4029224","Formula":"CH4N2O2S","All.Compound.Names":"Amino(imino)methanesulfinic acid|Dtxsid4029224|1758-73-2","logHenry":-8.547,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5084,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.766,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.205,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.2,"MP.Reference":"EPA-CCD-OPERA","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1758-73-2"}
{"Compound":"Valganciclovir hydrochloride","CAS":"175865-59-5","CAS.Checksum":true,"DTXSID":"DTXSID9046784","Formula":"C14H23ClN6O5","All.Compound.Names":"Valganciclovir hydrochloride|Dtxsid9046784|175865-59-5","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8789,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.28,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.683,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.4,"MP.Reference":"EPA-CCD-OPERA","MW":390.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.08","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"175865-59-5"}
{"Compound":"Deslanoside","CAS":"17598-65-1","CAS.Checksum":true,"DTXSID":"DTXSID1022897","Formula":"C47H74O19","All.Compound.Names":"Deslanoside|Dtxsid1022897|17598-65-1","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2881,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.89,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.74,"logWSol.Reference":"EPA-CCD-OPERA","MP":239.6,"MP.Reference":"EPA-CCD-OPERA","MW":943.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17598-65-1"}
{"Compound":"N-[3-(trimethoxysilyl)propyl]ethane-1,2-diamine","CAS":"1760-24-3","CAS.Checksum":true,"DTXSID":"DTXSID5027433","Formula":"C8H22N2O3Si","All.Compound.Names":"N-[3-(trimethoxysilyl)propyl]ethane-1,2-diamine|Dtxsid5027433|1760-24-3","logHenry":-7.552,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9285,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.911,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2976,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.5,"MP.Reference":"EPA-CCD-OPERA","MW":222.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1760-24-3"}
{"Compound":"4,4'-diaminodicyclohexylmethane","CAS":"1761-71-3","CAS.Checksum":true,"DTXSID":"DTXSID0024921","Formula":"C13H26N2","All.Compound.Names":"4,4'-diaminodicyclohexylmethane|Dtxsid0024921|1761-71-3","logHenry":-6.162,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.115,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.04,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.329,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.03,"MP.Reference":"EPA-CCD-OPERA","MW":210.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1761-71-3"}
{"Compound":"Thiocyanic acid, ammonium salt","CAS":"1762-95-4","CAS.Checksum":true,"DTXSID":"DTXSID3029653","Formula":"CH4N2S","All.Compound.Names":"Thiocyanic acid, ammonium salt|Ammonium isothiocyanate|Dtxsid3029653|1762-95-4","logHenry":-6.038,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5956,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.6,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.142,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.7,"MP.Reference":"EPA-CCD-OPERA","MW":76.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1762-95-4"}
{"Compound":"5-chlorooxindole","CAS":"17630-75-0","CAS.Checksum":true,"DTXSID":"DTXSID6057667","Formula":"C8H6ClNO","All.Compound.Names":"5-chlorooxindole|Dtxsid6057667|17630-75-0","logHenry":-8.358,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.143,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.069,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.497,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.6,"MP.Reference":"EPA-CCD-OPERA","MW":167.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17630-75-0"}
{"Compound":"Penflutizide","CAS":"1766-91-2","CAS.Checksum":true,"DTXSID":"DTXSID3048815","Formula":"C13H18F3N3O4S2","All.Compound.Names":"Penflutizide|Dtxsid3048815|1766-91-2","logHenry":-10.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.657,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.558,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.47,"logWSol.Reference":"EPA-CCD-OPERA","MP":246.3,"MP.Reference":"EPA-CCD-OPERA","MW":401.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1766-91-2"}
{"Compound":"Ethyltriacetoxysilane","CAS":"17689-77-9","CAS.Checksum":true,"DTXSID":"DTXSID3027792","Formula":"C8H14O6Si","All.Compound.Names":"Ethyltriacetoxysilane|Dtxsid3027792","logHenry":-8.37,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.139,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.855,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4392,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.53,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17689-77-9"}
{"Compound":"Dropropizine","CAS":"17692-31-8","CAS.Checksum":true,"DTXSID":"DTXSID0045624","Formula":"C13H20N2O2","All.Compound.Names":"Dropropizine|Dtxsid0045624|17692-31-8","logHenry":-8.866,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.467,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.944,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.645,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.1,"MP.Reference":"EPA-CCD-OPERA","MW":236.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17692-31-8"}
{"Compound":"Fomocaine","CAS":"17692-39-6","CAS.Checksum":true,"DTXSID":"DTXSID0046222","Formula":"C20H25NO2","All.Compound.Names":"Fomocaine|Dtxsid0046222|17692-39-6","logHenry":-5.457,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.683,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.911,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.762,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.63,"MP.Reference":"EPA-CCD-OPERA","MW":311.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17692-39-6"}
{"Compound":"Picodralazine","CAS":"17692-43-2","CAS.Checksum":true,"DTXSID":"DTXSID0048715","Formula":"C14H13N5","All.Compound.Names":"Picodralazine|Dtxsid0048715|17692-43-2","logHenry":-8.427,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.289,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.869,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.513,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.4,"MP.Reference":"EPA-CCD-OPERA","MW":251.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17692-43-2"}
{"Compound":"Metergoline","CAS":"17692-51-2","CAS.Checksum":true,"DTXSID":"DTXSID5042584","Formula":"C25H29N3O2","All.Compound.Names":"Metergoline|(+)-n-(carboxy)-1-methyl-9,10-dihydrolysergamine benzyl ester|17692-51-2|Dtxsid5042584","logHenry":-7.428,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.755,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.495,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.425,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.3,"MP.Reference":"EPA-CCD-OPERA","MW":403.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.14","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.23,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"17692-51-2"}
{"Compound":"Vanitiolide","CAS":"17692-71-6","CAS.Checksum":true,"DTXSID":"DTXSID4046107","Formula":"C12H15NO3S","All.Compound.Names":"Vanitiolide|Dtxsid4046107|17692-71-6","logHenry":-9.063,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.011,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.022,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.368,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.2,"MP.Reference":"EPA-CCD-OPERA","MW":253.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17692-71-6"}
{"Compound":"Sec-butylparaben","CAS":"17696-61-6","CAS.Checksum":true,"DTXSID":"DTXSID5044607","Formula":"C11H14O3","All.Compound.Names":"Sec-butylparaben|Dtxsid5044607|17696-61-6","logHenry":-8.525,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.011,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.518,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.875,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.08,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17696-61-6"}
{"Compound":"2,3,4-trichloronitrobenzene","CAS":"17700-09-3","CAS.Checksum":true,"DTXSID":"DTXSID0026202","Formula":"C6H2Cl3NO2","All.Compound.Names":"2,3,4-trichloronitrobenzene|Dtxsid0026202","logHenry":-4.818,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.609,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.131,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.95,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.7,"MP.Reference":"EPA-CCD-OPERA","MW":226.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17700-09-3"}
{"Compound":"Ambrisentan","CAS":"177036-94-1","CAS.Checksum":true,"DTXSID":"DTXSID4046282","Formula":"C22H22N2O4","All.Compound.Names":"Ambrisentan|Dtxsid4046282|177036-94-1","logHenry":-7.992,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5422,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.825,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.295,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.3,"MP.Reference":"EPA-CCD-OPERA","MW":378.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.31","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"177036-94-1"}
{"Compound":"1-butyl-2-methylpyridinium trifluoromethanesulfonate","CAS":"1770850-20-8","CAS.Checksum":true,"DTXSID":"DTXSID3049388","Formula":"C11H16F3NO3S","All.Compound.Names":"1-butyl-2-methylpyridinium trifluoromethanesulfonate|Dtxsid3049388|1770850-20-8","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7493,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.744,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":159,"MP.Reference":"EPA-CCD-OPERA","MW":299.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1770850-20-8"}
{"Compound":"Galactosamine hydrochloride","CAS":"1772-03-8","CAS.Checksum":true,"DTXSID":"DTXSID4031356","Formula":"C6H14ClNO5","All.Compound.Names":"Galactosamine hydrochloride|Dtxsid4031356|1772-03-8","logHenry":-8.715,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.375,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.58,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1861,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.2,"MP.Reference":"EPA-CCD-OPERA","MW":215.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1772-03-8"}
{"Compound":"1,3,6-hexanetricarbonitrile","CAS":"1772-25-4","CAS.Checksum":true,"DTXSID":"DTXSID4041234","Formula":"C9H11N3","All.Compound.Names":"1,3,6-hexanetricarbonitrile|Dtxsid4041234","logHenry":-5.838,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3219,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.749,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1444,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.42,"MP.Reference":"EPA-CCD-OPERA","MW":161.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1772-25-4"}
{"Compound":"Clonixin","CAS":"17737-65-4","CAS.Checksum":true,"DTXSID":"DTXSID2046121","Formula":"C13H11ClN2O2","All.Compound.Names":"Clonixin|Dtxsid2046121|17737-65-4","logHenry":-9.403,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.384,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.862,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.783,"logWSol.Reference":"EPA-CCD-OPERA","MP":233.9,"MP.Reference":"EPA-CCD-OPERA","MW":262.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.45","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17737-65-4"}
{"Compound":"4-(diethylamino)salicylaldehyde","CAS":"17754-90-4","CAS.Checksum":true,"DTXSID":"DTXSID5022271","Formula":"C11H15NO2","All.Compound.Names":"4-(diethylamino)salicylaldehyde|Dtxsid5022271","logHenry":-7.026,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.036,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.185,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.561,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.74,"MP.Reference":"EPA-CCD-OPERA","MW":193.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17754-90-4"}
{"Compound":"Trisodium 2,4,6-trithioxo-1,3,5-triazinane-1,3,5-triide","CAS":"17766-26-6","CAS.Checksum":true,"DTXSID":"DTXSID1044853","Formula":"C3N3Na3S3","All.Compound.Names":"Trisodium 2,4,6-trithioxo-1,3,5-triazinane-1,3,5-triide|Dtxsid1044853|17766-26-6","logHenry":-8.873,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.294,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.42,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.929,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.1,"MP.Reference":"EPA-CCD-OPERA","MW":243.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17766-26-6"}
{"Compound":"2,4-dichlorobenzyl alcohol","CAS":"1777-82-8","CAS.Checksum":true,"DTXSID":"DTXSID9041362","Formula":"C7H6Cl2O","All.Compound.Names":"2,4-dichlorobenzyl alcohol|Dtxsid9041362|1777-82-8","logHenry":-8.764,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.454,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.99,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.245,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.99,"MP.Reference":"EPA-CCD-OPERA","MW":177,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1777-82-8"}
{"Compound":"Pharmagsid_47261","CAS":"177785-47-6","CAS.Checksum":true,"DTXSID":"DTXSID3047261","Formula":"C13H15NO3S","All.Compound.Names":"Pharmagsid_47261|(2s,3s)-3-methyl-2-(3-oxo-1,2-benzothiazol-2(3h)-yl)pentanoic acid|Dtxsid3047261|177785-47-6","logHenry":-8.482,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.962,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.7,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.775,"logWSol.Reference":"EPA-CCD-OPERA","MP":157,"MP.Reference":"EPA-CCD-OPERA","MW":265.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"177785-47-6"}
{"Compound":"3beta-acetoxy-5-pregnene-20-one","CAS":"1778-02-5","CAS.Checksum":true,"DTXSID":"DTXSID3048942","Formula":"C23H34O3","All.Compound.Names":"3beta-acetoxy-5-pregnene-20-one|Dtxsid3048942","logHenry":-7.057,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.404,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.051,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.261,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.3,"MP.Reference":"EPA-CCD-OPERA","MW":358.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1778-02-5"}
{"Compound":"Clorgyline hydrochloride","CAS":"17780-75-5","CAS.Checksum":true,"DTXSID":"DTXSID3045778","Formula":"C13H16Cl3NO","All.Compound.Names":"Clorgyline hydrochloride|N-methyl-n-propargyl-3-(2,4-dichlorophenoxy)propylamine hydrochloride|Dtxsid3045778|17780-75-5","logHenry":-4.38,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3158,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.065,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.103,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.4,"MP.Reference":"EPA-CCD-OPERA","MW":308.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17780-75-5"}
{"Compound":"Parinol","CAS":"17781-31-6","CAS.Checksum":true,"DTXSID":"DTXSID4042256","Formula":"C18H13Cl2NO","All.Compound.Names":"Parinol|Dtxsid4042256|17781-31-6","logHenry":-8.862,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.79,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.945,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.573,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.6,"MP.Reference":"EPA-CCD-OPERA","MW":330.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.08","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17781-31-6"}
{"Compound":"Sulfacytine","CAS":"17784-12-2","CAS.Checksum":true,"DTXSID":"DTXSID6023606","Formula":"C12H14N4O3S","All.Compound.Names":"Sulfacytine|Dtxsid6023606|17784-12-2","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.373,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.817,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.014,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.6,"MP.Reference":"EPA-CCD-OPERA","MW":294.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17784-12-2"}
{"Compound":"Phenylphosphinic acid","CAS":"1779-48-2","CAS.Checksum":true,"DTXSID":"DTXSID0027436","Formula":"C6H7O2P","All.Compound.Names":"Phenylphosphinic acid|Dtxsid0027436|1779-48-2","logHenry":-7.027,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6718,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.261,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7634,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.8,"MP.Reference":"EPA-CCD-OPERA","MW":142.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1779-48-2"}
{"Compound":"N-(cyclohexylthio)phthalimide","CAS":"17796-82-6","CAS.Checksum":true,"DTXSID":"DTXSID8027793","Formula":"C14H15NO2S","All.Compound.Names":"N-(cyclohexylthio)phthalimide|Dtxsid8027793|17796-82-6","logHenry":-6.652,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.658,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.196,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.939,"logWSol.Reference":"EPA-CCD-OPERA","MP":111.4,"MP.Reference":"EPA-CCD-OPERA","MW":261.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17796-82-6"}
{"Compound":"(4-carboxybutyl)triphenylphosphonium bromide","CAS":"17814-85-6","CAS.Checksum":true,"DTXSID":"DTXSID6057669","Formula":"C23H24BrO2P","All.Compound.Names":"(4-carboxybutyl)triphenylphosphonium bromide|17814-85-6","logHenry":-9.375,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6668,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.97,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.069,"logWSol.Reference":"EPA-CCD-OPERA","MP":213,"MP.Reference":"EPA-CCD-OPERA","MW":443.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17814-85-6"}
{"Compound":"Hydrocodone triphosphate","CAS":"178175-60-5","CAS.Checksum":true,"DTXSID":"DTXSID40873078","All.Compound.Names":"Hydrocodone triphosphate|Hydrocodone phosphate (1:x)","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"178175-60-5"}
{"Compound":"3,4,5,6-tetrachloro-2-pyridinecarbonitrile","CAS":"17824-83-8","CAS.Checksum":true,"DTXSID":"DTXSID8027795","Formula":"C6Cl4N2","All.Compound.Names":"3,4,5,6-tetrachloro-2-pyridinecarbonitrile|3,4,5,6-tetrachloropyridine-2-carbonitrile|Dtxsid8027795|17824-83-8","logHenry":-4.718,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.357,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.9,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.193,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.5,"MP.Reference":"EPA-CCD-OPERA","MW":241.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17824-83-8"}
{"Compound":"D-aspartic acid","CAS":"1783-96-6","CAS.Checksum":true,"DTXSID":"DTXSID2045650","Formula":"C4H7NO4","All.Compound.Names":"D-aspartic acid|Dtxsid2045650|1783-96-6","logHenry":-8.195,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.887,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.14,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4695,"logWSol.Reference":"EPA-CCD-OPERA","MP":272.3,"MP.Reference":"EPA-CCD-OPERA","MW":133.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.09","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1783-96-6"}
{"Compound":"Tetraethylene glycol diacrylate","CAS":"17831-71-9","CAS.Checksum":true,"DTXSID":"DTXSID2026107","Formula":"C14H22O7","All.Compound.Names":"Tetraethylene glycol diacrylate|Dtxsid2026107","logHenry":-7.769,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.261,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.92,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.602,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.559,"MP.Reference":"EPA-CCD-OPERA","MW":302.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17831-71-9"}
{"Compound":"4-(ethenyloxy)butan-1-ol","CAS":"17832-28-9","CAS.Checksum":true,"DTXSID":"DTXSID6044854","Formula":"C6H12O2","All.Compound.Names":"4-(ethenyloxy)butan-1-ol|Dtxsid6044854|17832-28-9","logHenry":-6.063,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.326,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.571,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.237,"logWSol.Reference":"EPA-CCD-OPERA","MP":-13.81,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17832-28-9"}
{"Compound":"Prilocaine hydrochloride","CAS":"1786-81-8","CAS.Checksum":true,"DTXSID":"DTXSID2031956","Formula":"C13H21ClN2O","All.Compound.Names":"Prilocaine hydrochloride|Dtxsid2031956|1786-81-8","logHenry":-9.702,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4264,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.819,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.178,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.1,"MP.Reference":"EPA-CCD-OPERA","MW":256.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1786-81-8"}
{"Compound":"Zd 2079","CAS":"178600-17-4","CAS.Checksum":true,"DTXSID":"DTXSID8049042","Formula":"C18H22ClNO4","All.Compound.Names":"Zd 2079|Dtxsid8049042|178600-17-4","logHenry":-8.709,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9674,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.24,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.169,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.5,"MP.Reference":"EPA-CCD-OPERA","MW":351.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"178600-17-4"}
{"Compound":"1-methyl-3-octylimidazolium bis(trifluoromethylsulfonyl)imide","CAS":"178631-04-4","CAS.Checksum":true,"DTXSID":"DTXSID0047955","Formula":"C14H23F6N3O4S2","All.Compound.Names":"1-methyl-3-octylimidazolium bis(trifluoromethylsulfonyl)imide","MW":475.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"178631-04-4"}
{"Compound":"1-hexyl-3-methylimidazolium iodide","CAS":"178631-05-5","CAS.Checksum":true,"DTXSID":"DTXSID0047951","Formula":"C10H19IN2","All.Compound.Names":"1-hexyl-3-methylimidazolium iodide|Dtxsid0047951|178631-05-5","logHenry":-2.979,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.036,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.974,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.4,"MP.Reference":"EPA-CCD-OPERA","MW":294.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"178631-05-5"}
{"Compound":"1-methyl-1-propylpiperidinium iodide","CAS":"17874-63-4","CAS.Checksum":true,"DTXSID":"DTXSID0049236","Formula":"C9H20IN","All.Compound.Names":"1-methyl-1-propylpiperidinium iodide|Dtxsid0049236|17874-63-4","logHenry":-1.159,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.665,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.82,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8193,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.4,"MP.Reference":"EPA-CCD-OPERA","MW":269.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17874-63-4"}
{"Compound":"Prothioconazole","CAS":"178928-70-6","CAS.Checksum":true,"DTXSID":"DTXSID4034869","Formula":"C14H15Cl2N3OS","All.Compound.Names":"Prothioconazole|Dtxsid4034869|178928-70-6","logHenry":-8.429,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.122,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.051,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.062,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.3,"MP.Reference":"EPA-CCD-OPERA","MW":344.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"178928-70-6"}
{"Compound":"N-arachidonylglycine","CAS":"179113-91-8","CAS.Checksum":true,"DTXSID":"DTXSID5045124","Formula":"C22H35NO3","All.Compound.Names":"N-arachidonylglycine|N-arachidonoyl glycine|Dtxsid5045124|179113-91-8","logHenry":-7.577,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.011,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.468,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.938,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.4,"MP.Reference":"EPA-CCD-OPERA","MW":361.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"179113-91-8"}
{"Compound":"N,n'-dibutylurea","CAS":"1792-17-2","CAS.Checksum":true,"DTXSID":"DTXSID3042188","Formula":"C9H20N2O","All.Compound.Names":"N,n'-dibutylurea|Dtxsid3042188|1792-17-2","logHenry":-7.569,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.776,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.309,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8241,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.89,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1792-17-2"}
{"Compound":"Ethyl [3-(triethoxysilyl)propyl]carbamate","CAS":"17945-05-0","CAS.Checksum":true,"DTXSID":"DTXSID6044856","Formula":"C12H27NO5Si","All.Compound.Names":"Ethyl [3-(triethoxysilyl)propyl]carbamate|Dtxsid6044856|17945-05-0","logHenry":-8.734,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.02,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.353,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.523,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.86,"MP.Reference":"EPA-CCD-OPERA","MW":293.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17945-05-0"}
{"Compound":"Cj-013790","CAS":"179465-71-5","CAS.Checksum":true,"DTXSID":"DTXSID2047303","Formula":"C18H17FN2O4","All.Compound.Names":"Cj-013790|Dtxsid2047303|179465-71-5","logHenry":-8.978,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.138,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.314,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.405,"logWSol.Reference":"EPA-CCD-OPERA","MP":172,"MP.Reference":"EPA-CCD-OPERA","MW":344.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"179465-71-5"}
{"Compound":"Fenclozic acid","CAS":"17969-20-9","CAS.Checksum":true,"DTXSID":"DTXSID4046157","Formula":"C11H8ClNO2S","All.Compound.Names":"Fenclozic acid|Dtxsid4046157|17969-20-9","logHenry":-8.952,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.264,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.961,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.659,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.6,"MP.Reference":"EPA-CCD-OPERA","MW":253.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17969-20-9"}
{"Compound":"Triethoxy(2-methylpropyl)silane","CAS":"17980-47-1","CAS.Checksum":true,"DTXSID":"DTXSID1044857","Formula":"C10H24O3Si","All.Compound.Names":"Triethoxy(2-methylpropyl)silane|Dtxsid1044857","logHenry":-3.398,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.954,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.053,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.881,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.12,"MP.Reference":"EPA-CCD-OPERA","MW":220.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17980-47-1"}
{"Compound":"1,7-dioxaspiro[5.5]undecane","CAS":"180-84-7","CAS.Checksum":true,"DTXSID":"DTXSID2040735","Formula":"C9H16O2","All.Compound.Names":"1,7-dioxaspiro[5.5]undecane|Dtxsid2040735","logHenry":-4.603,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.14,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.862,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9368,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.69,"MP.Reference":"EPA-CCD-OPERA","MW":156.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"180-84-7"}
{"Compound":"Minodronic acid","CAS":"180064-38-4","CAS.Checksum":true,"DTXSID":"DTXSID4048779","Formula":"C9H12N2O7P2","All.Compound.Names":"Minodronic acid|Dtxsid4048779|180064-38-4","logHenry":-8.503,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6439,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.14,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.02601,"logWSol.Reference":"EPA-CCD-OPERA","MP":221,"MP.Reference":"EPA-CCD-OPERA","MW":322.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"180064-38-4"}
{"Compound":"C.i. basic green 4 oxalate (1:x)","CAS":"18015-76-4","CAS.Checksum":true,"DTXSID":"DTXSID1051808","All.Compound.Names":"C.i. basic green 4 oxalate (1:x)","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18015-76-4"}
{"Compound":"Tilmacoxib","CAS":"180200-68-4","CAS.Checksum":true,"DTXSID":"DTXSID0057671","Formula":"C16H19FN2O3S","All.Compound.Names":"Tilmacoxib|Dtxsid0057671|180200-68-4","logHenry":-7.689,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.22,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.826,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.483,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.4,"MP.Reference":"EPA-CCD-OPERA","MW":338.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"180200-68-4"}
{"Compound":"(s)-4-isopropenyl-1-cyclohexene-1-carboxaldehyde","CAS":"18031-40-8","CAS.Checksum":true,"DTXSID":"DTXSID5041190","Formula":"C10H14O","All.Compound.Names":"(s)-4-isopropenyl-1-cyclohexene-1-carboxaldehyde|(4s)-4-(1-methylethenyl)-1-cyclohexene-1-carboxaldehyde|Dtxsid5041190","logHenry":-4.28,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.126,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.928,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.917,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.27,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18031-40-8"}
{"Compound":"5-phenyl-1h-tetrazole","CAS":"18039-42-4","CAS.Checksum":true,"DTXSID":"DTXSID6044858","Formula":"C7H6N4","All.Compound.Names":"5-phenyl-1h-tetrazole|Dtxsid6044858|18039-42-4","logHenry":-7.658,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.649,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.313,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.591,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.8,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18039-42-4"}
{"Compound":"Fentiazac","CAS":"18046-21-4","CAS.Checksum":true,"DTXSID":"DTXSID8023050","Formula":"C17H12ClNO2S","All.Compound.Names":"Fentiazac|Dtxsid8023050|18046-21-4","logHenry":-9.537,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.187,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.284,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.963,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.6,"MP.Reference":"EPA-CCD-OPERA","MW":329.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18046-21-4"}
{"Compound":"Solifenacin hydrochloride","CAS":"180468-39-7","CAS.Checksum":true,"DTXSID":"DTXSID4046783","Formula":"C23H27ClN2O2","All.Compound.Names":"Solifenacin hydrochloride|Dtxsid4046783|180468-39-7","logHenry":-6.26,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.426,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.191,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.4,"MP.Reference":"EPA-CCD-OPERA","MW":398.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"180468-39-7"}
{"Compound":"Dibutyl phosphite","CAS":"1809-19-4","CAS.Checksum":true,"DTXSID":"DTXSID0027438","Formula":"C8H19O3P","All.Compound.Names":"Dibutyl phosphite|Dtxsid0027438","logHenry":-6.204,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.425,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.452,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.423,"logWSol.Reference":"EPA-CCD-OPERA","MP":-70.39,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1809-19-4"}
{"Compound":"Butamirate citrate","CAS":"18109-81-4","CAS.Checksum":true,"DTXSID":"DTXSID0046270","Formula":"C24H37NO10","All.Compound.Names":"Butamirate citrate|Dtxsid0046270|18109-81-4","logHenry":-6.898,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8372,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.578,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.257,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.5,"MP.Reference":"EPA-CCD-OPERA","MW":499.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18109-81-4"}
{"Compound":"Proflavin hemisulfate","CAS":"1811-28-5","CAS.Checksum":true,"DTXSID":"DTXSID4043777","Formula":"C26H24N6O4S","All.Compound.Names":"Proflavin hemisulfate|Dtxsid4043777|1811-28-5","logHenry":-7.009,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6475,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.476,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3729,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.4,"MP.Reference":"EPA-CCD-OPERA","MW":516.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1811-28-5"}
{"Compound":"N-acetylgalactosamine","CAS":"1811-31-0","CAS.Checksum":true,"DTXSID":"DTXSID0048711","Formula":"C8H15NO6","All.Compound.Names":"N-acetylgalactosamine|Dtxsid0048711|1811-31-0","logHenry":-9.768,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.224,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.9,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3718,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.3,"MP.Reference":"EPA-CCD-OPERA","MW":221.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1811-31-0"}
{"Compound":"3-(4-tert-butylphenyl)propanal","CAS":"18127-01-0","CAS.Checksum":true,"DTXSID":"DTXSID6044808","Formula":"C13H18O","All.Compound.Names":"3-(4-tert-butylphenyl)propanal|Dtxsid6044808","logHenry":-3.414,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.027,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.534,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.25,"MP.Reference":"EPA-CCD-OPERA","MW":190.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18127-01-0"}
{"Compound":"Flucarbazone-sodium","CAS":"181274-17-9","CAS.Checksum":true,"DTXSID":"DTXSID3034614","Formula":"C12H10F3N4NaO6S","All.Compound.Names":"Flucarbazone-sodium|Dtxsid3034614|181274-17-9","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.313,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.074,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9812,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.5,"MP.Reference":"EPA-CCD-OPERA","MW":418.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"181274-17-9"}
{"Compound":"Sr144190","CAS":"181640-09-5","CAS.Checksum":true,"DTXSID":"DTXSID4047339","Formula":"C33H39ClF2N4O3","All.Compound.Names":"Sr144190|Dtxsid4047339|181640-09-5","logHenry":-7.426,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.129,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.439,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.121,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.8,"MP.Reference":"EPA-CCD-OPERA","MW":613.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"181640-09-5"}
{"Compound":"2-bromo-4,6-dinitroaniline","CAS":"1817-73-8","CAS.Checksum":true,"DTXSID":"DTXSID4024646","Formula":"C6H4BrN3O4","All.Compound.Names":"2-bromo-4,6-dinitroaniline|Dtxsid4024646|1817-73-8","logHenry":-7.271,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.807,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.413,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.641,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.5,"MP.Reference":"EPA-CCD-OPERA","MW":262,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-1.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1817-73-8"}
{"Compound":"(-)-beta-pinene","CAS":"18172-67-3","CAS.Checksum":true,"DTXSID":"DTXSID1041184","Formula":"C10H16","All.Compound.Names":"(-)-beta-pinene|Dtxsid1041184","logHenry":-1.215,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.161,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3154,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.566,"logWSol.Reference":"EPA-CCD-OPERA","MP":-60.6,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18172-67-3"}
{"Compound":"Pipoxolan hydrochloride","CAS":"18174-58-8","CAS.Checksum":true,"DTXSID":"DTXSID5057672","Formula":"C22H26ClNO3","All.Compound.Names":"Pipoxolan hydrochloride|Dtxsid5057672|18174-58-8","logHenry":-6.846,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.801,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.934,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.533,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.9,"MP.Reference":"EPA-CCD-OPERA","MW":387.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18174-58-8"}
{"Compound":"Iodenphos","CAS":"18181-70-9","CAS.Checksum":true,"DTXSID":"DTXSID8040278","Formula":"C8H8Cl2IO3PS","All.Compound.Names":"Iodenphos|Dtxsid8040278","logHenry":-5.113,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.509,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.239,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.179,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.39,"MP.Reference":"EPA-CCD-OPERA","MW":413,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18181-70-9"}
{"Compound":"2-oxopentanoic acid","CAS":"1821-02-9","CAS.Checksum":true,"DTXSID":"DTXSID3021647","Formula":"C5H8O3","All.Compound.Names":"2-oxopentanoic acid|Alpha-ketovaleric acid|Dtxsid3021647|1821-02-9","logHenry":-7.142,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1131,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.644,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4719,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.805,"MP.Reference":"EPA-CCD-OPERA","MW":116.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1821-02-9"}
{"Compound":"2,2-di-4-tolylpropane","CAS":"1823-31-0","CAS.Checksum":true,"DTXSID":"DTXSID3046243","Formula":"C17H20","All.Compound.Names":"2,2-di-4-tolylpropane|Dtxsid3046243","logHenry":-3.386,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.246,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.293,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.373,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.6,"MP.Reference":"EPA-CCD-OPERA","MW":224.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1823-31-0"}
{"Compound":"5,5'-oxybis(2-benzofuran-1,3-dione)","CAS":"1823-59-2","CAS.Checksum":true,"DTXSID":"DTXSID1044859","Formula":"C16H6O7","All.Compound.Names":"5,5'-oxybis(2-benzofuran-1,3-dione)|Dtxsid1044859","logHenry":-8.14,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.134,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.57,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.39,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.7,"MP.Reference":"EPA-CCD-OPERA","MW":310.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1823-59-2"}
{"Compound":"Benzylhydrochlorothiazide","CAS":"1824-50-6","CAS.Checksum":true,"DTXSID":"DTXSID1045114","Formula":"C14H14ClN3O4S2","All.Compound.Names":"Benzylhydrochlorothiazide|Dtxsid1045114|1824-50-6","logHenry":-10.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9318,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.347,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.458,"logWSol.Reference":"EPA-CCD-OPERA","MP":232.2,"MP.Reference":"EPA-CCD-OPERA","MW":387.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1824-50-6"}
{"Compound":"Ethiazide","CAS":"1824-58-4","CAS.Checksum":true,"DTXSID":"DTXSID1046215","Formula":"C9H12ClN3O4S2","All.Compound.Names":"Ethiazide|Dtxsid1046215|1824-58-4","logHenry":-9.566,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3007,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.897,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.972,"logWSol.Reference":"EPA-CCD-OPERA","MP":269.4,"MP.Reference":"EPA-CCD-OPERA","MW":325.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1824-58-4"}
{"Compound":"6-methylpyridin-2-amine","CAS":"1824-81-3","CAS.Checksum":true,"DTXSID":"DTXSID0044860","Formula":"C6H8N2","All.Compound.Names":"6-methylpyridin-2-amine|Dtxsid0044860|1824-81-3","logHenry":-6.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.614,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.511,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.18,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.99,"MP.Reference":"EPA-CCD-OPERA","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1824-81-3"}
{"Compound":"Pentachlorothioanisole","CAS":"1825-19-0","CAS.Checksum":true,"DTXSID":"DTXSID3042263","Formula":"C7H3Cl5S","All.Compound.Names":"Pentachlorothioanisole|Dtxsid3042263","logHenry":-3.903,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.297,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.483,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.817,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.98,"MP.Reference":"EPA-CCD-OPERA","MW":296.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1825-19-0"}
{"Compound":"Pentachloroanisole","CAS":"1825-21-4","CAS.Checksum":true,"DTXSID":"DTXSID2021103","Formula":"C7H3Cl5O","All.Compound.Names":"Pentachloroanisole|Dtxsid2021103","logHenry":-3.554,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.448,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.811,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.814,"logWSol.Reference":"EPA-CCD-OPERA","MP":107.9,"MP.Reference":"EPA-CCD-OPERA","MW":280.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1825-21-4"}
{"Compound":"2-bromohexadecanoic acid","CAS":"18263-25-7","CAS.Checksum":true,"DTXSID":"DTXSID0037734","Formula":"C16H31BrO2","All.Compound.Names":"2-bromohexadecanoic acid|Dtxsid0037734|18263-25-7","logHenry":-7.472,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.271,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.364,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.777,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.67,"MP.Reference":"EPA-CCD-OPERA","MW":335.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18263-25-7"}
{"Compound":"Hexanoic acid, 2-ethyl-, oxybis(2,1-ethanediyloxy-2,1-ethanediyl) ester","CAS":"18268-70-7","CAS.Checksum":true,"DTXSID":"DTXSID8027797","Formula":"C24H46O7","All.Compound.Names":"Hexanoic acid, 2-ethyl-, oxybis(2,1-ethanediyloxy-2,1-ethanediyl) ester|Tetraethylene glycol di(2-ethylhexanoate)|Dtxsid8027797","logHenry":-6.563,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.466,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.239,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.406,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.17,"MP.Reference":"EPA-CCD-OPERA","MW":446.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18268-70-7"}
{"Compound":"2-{[(2e)-2-(1-azabicyclo[2.2.2]oct-3-ylidene)-2-fluoroethyl]oxy}-9h-carbazole","CAS":"182959-33-7","CAS.Checksum":true,"DTXSID":"DTXSID1046508","Formula":"C21H22ClFN2O","All.Compound.Names":"2-{[(2e)-2-(1-azabicyclo[2.2.2]oct-3-ylidene)-2-fluoroethyl]oxy}-9h-carbazole|Dtxsid1046508|182959-33-7","logHenry":-8.867,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.904,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.46,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.904,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.6,"MP.Reference":"EPA-CCD-OPERA","MW":372.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"182959-33-7"}
{"Compound":"N-ethyl-2-methyl-2-propen-1-amine","CAS":"18328-90-0","CAS.Checksum":true,"DTXSID":"DTXSID3027798","Formula":"C6H13N","All.Compound.Names":"N-ethyl-2-methyl-2-propen-1-amine|N-ethyl-2-methylallylamine|Dtxsid3027798|18328-90-0","logHenry":-6.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.102,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.181,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.482,"logWSol.Reference":"EPA-CCD-OPERA","MP":-72.24,"MP.Reference":"EPA-CCD-OPERA","MW":99.18,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18328-90-0"}
{"Compound":"Androstenone","CAS":"18339-16-7","CAS.Checksum":true,"DTXSID":"DTXSID0040965","Formula":"C19H28O","All.Compound.Names":"Androstenone|Dtxsid0040965","logHenry":-6.701,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.026,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.732,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.993,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.4,"MP.Reference":"EPA-CCD-OPERA","MW":272.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18339-16-7"}
{"Compound":"Nitrofen","CAS":"1836-75-5","CAS.Checksum":true,"DTXSID":"DTXSID7020970","Formula":"C12H7Cl2NO3","All.Compound.Names":"Nitrofen|Dtxsid7020970|1836-75-5","logHenry":-4.168,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.64,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.974,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.452,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.12,"MP.Reference":"EPA-CCD-OPERA","MW":284.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1836-75-5"}
{"Compound":"Plicamycin","CAS":"18378-89-7","CAS.Checksum":true,"DTXSID":"DTXSID6023492","Formula":"C52H76O24","All.Compound.Names":"Plicamycin|Dtxsid6023492|18378-89-7","logHenry":-9.918,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4311,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.187,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.835,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.5,"MP.Reference":"EPA-CCD-OPERA","MW":1085,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18378-89-7"}
{"Compound":"Formoterol hemifumarate dihydrate","CAS":"183814-30-4","CAS.Checksum":true,"DTXSID":"DTXSID5045679","Formula":"C42H56N4O14","All.Compound.Names":"Formoterol hemifumarate dihydrate|Dtxsid5045679|183814-30-4","logHenry":-10.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.255,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.167,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.08,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.3,"MP.Reference":"EPA-CCD-OPERA","MW":840.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"183814-30-4"}
{"Compound":"Sitaxentan","CAS":"184036-34-8","CAS.Checksum":true,"DTXSID":"DTXSID0057673","Formula":"C18H15ClN2O6S2","All.Compound.Names":"Sitaxentan|Dtxsid0057673|184036-34-8","logHenry":-7.961,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.551,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.704,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.314,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.2,"MP.Reference":"EPA-CCD-OPERA","MW":454.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"184036-34-8"}
{"Compound":"Fluspirilene","CAS":"1841-19-6","CAS.Checksum":true,"DTXSID":"DTXSID7045152","Formula":"C29H31F2N3O","All.Compound.Names":"Fluspirilene|Dtxsid7045152|1841-19-6","logHenry":-7.532,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.86,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.338,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.68,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.7,"MP.Reference":"EPA-CCD-OPERA","MW":475.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1841-19-6"}
{"Compound":"Alpha-hexyl-gamma-butyrolactone","CAS":"18436-37-8","CAS.Checksum":true,"DTXSID":"DTXSID7047437","Formula":"C10H18O2","All.Compound.Names":"Alpha-hexyl-gamma-butyrolactone|Dtxsid7047437","logHenry":-6.354,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.257,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.572,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.909,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.912,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18436-37-8"}
{"Compound":"Dikegulac","CAS":"18467-77-1","CAS.Checksum":true,"DTXSID":"DTXSID0047454","Formula":"C12H18O7","All.Compound.Names":"Dikegulac|Diprogulic acid|Dtxsid0047454|18467-77-1","logHenry":-8.039,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.349,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.573,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.14,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.08,"MP.Reference":"EPA-CCD-OPERA","MW":274.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18467-77-1"}
{"Compound":"3,7-dimethyloct-6-en-3-ol","CAS":"18479-51-1","CAS.Checksum":true,"DTXSID":"DTXSID1044809","Formula":"C10H20O","All.Compound.Names":"3,7-dimethyloct-6-en-3-ol|Dtxsid1044809|18479-51-1","logHenry":-5.183,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.077,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.678,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.406,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.99,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18479-51-1"}
{"Compound":"2,6-dimethyloctan-2-ol","CAS":"18479-57-7","CAS.Checksum":true,"DTXSID":"DTXSID0044810","Formula":"C10H22O","All.Compound.Names":"2,6-dimethyloctan-2-ol|Dtxsid0044810|18479-57-7","logHenry":-4.614,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.619,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.805,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.756,"logWSol.Reference":"EPA-CCD-OPERA","MP":-30.56,"MP.Reference":"EPA-CCD-OPERA","MW":158.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18479-57-7"}
{"Compound":"Dihydromyrcenol","CAS":"18479-58-8","CAS.Checksum":true,"DTXSID":"DTXSID8029317","Formula":"C10H20O","All.Compound.Names":"Dihydromyrcenol|1,1,5-trimethyl-6-heptenol|Dtxsid8029317|18479-58-8","logHenry":-4.601,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.059,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.184,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.731,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.61,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18479-58-8"}
{"Compound":"3,4-dichloro-5-isothiazolecarboxylic acid","CAS":"18480-53-0","CAS.Checksum":true,"DTXSID":"DTXSID7041467","Formula":"C4HCl2NO2S","All.Compound.Names":"3,4-dichloro-5-isothiazolecarboxylic acid|Dtxsid7041467|18480-53-0","logHenry":-8.403,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.227,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.531,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.179,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.4,"MP.Reference":"EPA-CCD-OPERA","MW":198,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18480-53-0"}
{"Compound":"Metochalcone","CAS":"18493-30-6","CAS.Checksum":true,"DTXSID":"DTXSID9046152","Formula":"C18H18O4","All.Compound.Names":"Metochalcone|Dtxsid9046152","logHenry":-8.054,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.441,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.746,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.137,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.17,"MP.Reference":"EPA-CCD-OPERA","MW":298.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18493-30-6"}
{"Compound":"Decoquinate","CAS":"18507-89-6","CAS.Checksum":true,"DTXSID":"DTXSID5046851","Formula":"C24H35NO5","All.Compound.Names":"Decoquinate|Dtxsid5046851|18507-89-6","logHenry":-9.031,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.67,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.609,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.333,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.9,"MP.Reference":"EPA-CCD-OPERA","MW":417.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18507-89-6"}
{"Compound":"Undecanedioic acid","CAS":"1852-04-6","CAS.Checksum":true,"DTXSID":"DTXSID0044862","Formula":"C11H20O4","All.Compound.Names":"Undecanedioic acid|Dtxsid0044862|1852-04-6","logHenry":-9.182,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.737,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.371,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.633,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.8,"MP.Reference":"EPA-CCD-OPERA","MW":216.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1852-04-6"}
{"Compound":"N-(butoxymethyl)acrylamide","CAS":"1852-16-0","CAS.Checksum":true,"DTXSID":"DTXSID9027443","Formula":"C8H15NO2","All.Compound.Names":"N-(butoxymethyl)acrylamide|Dtxsid9027443|1852-16-0","logHenry":-8.678,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5053,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.207,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2482,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.14,"MP.Reference":"EPA-CCD-OPERA","MW":157.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1852-16-0"}
{"Compound":"Octanoic acid, 2-propyl-, (2r)-","CAS":"185517-21-9","CAS.Checksum":true,"DTXSID":"DTXSID5048841","Formula":"C11H22O2","All.Compound.Names":"Octanoic acid, 2-propyl-, (2r)-|(2r)-2-propyloctanoic acid|Dtxsid5048841|185517-21-9","logHenry":-6.816,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.876,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.892,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.712,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.55,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"185517-21-9"}
{"Compound":"Vinblastine sulfate","CAS":"18556-44-0","CAS.Checksum":true,"DTXSID":"DTXSID7047853","All.Compound.Names":"Vinblastine sulfate|Vinrosidine sulfate (1:x)","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18556-44-0"}
{"Compound":"Trimethoquinol","CAS":"18559-59-6","CAS.Checksum":true,"DTXSID":"DTXSID1048756","Formula":"C19H24ClNO5","All.Compound.Names":"Trimethoquinol|Dtxsid1048756|18559-59-6","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4624,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.839,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.635,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.3,"MP.Reference":"EPA-CCD-OPERA","MW":381.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18559-59-6"}
{"Compound":"Methyl l-cysteinate hydrochloride","CAS":"18598-63-5","CAS.Checksum":true,"DTXSID":"DTXSID9046520","Formula":"C4H10ClNO2S","All.Compound.Names":"Methyl l-cysteinate hydrochloride|Dtxsid9046520|18598-63-5","logHenry":-8.284,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.518,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.415,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8813,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.9,"MP.Reference":"EPA-CCD-OPERA","MW":171.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.9","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18598-63-5"}
{"Compound":"1-butylpyridinium hexafluorophosphate","CAS":"186088-50-6","CAS.Checksum":true,"DTXSID":"DTXSID7047932","Formula":"C9H14F6NP","All.Compound.Names":"1-butylpyridinium hexafluorophosphate|Dtxsid7047932|186088-50-6","logHenry":-2.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7129,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.148,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.761,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.4,"MP.Reference":"EPA-CCD-OPERA","MW":281.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"186088-50-6"}
{"Compound":"2-(2-methylpropyl)thiazole","CAS":"18640-74-9","CAS.Checksum":true,"DTXSID":"DTXSID5025653","Formula":"C7H11NS","All.Compound.Names":"2-(2-methylpropyl)thiazole|2-isobutylthiazole|Dtxsid5025653|18640-74-9","logHenry":-5.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.483,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.832,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.776,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.779,"MP.Reference":"EPA-CCD-OPERA","MW":141.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18640-74-9"}
{"Compound":"1,2-ditetradecanoyl-rac-glycerol-3-phosphocholine","CAS":"18656-38-7","CAS.Checksum":true,"DTXSID":"DTXSID4046816","Formula":"C36H72NO8P","All.Compound.Names":"1,2-ditetradecanoyl-rac-glycerol-3-phosphocholine|Dl-dimyristoylphosphatidylcholine|Dtxsid4046816|18656-38-7","logHenry":-6.346,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.448,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.226,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.405,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.6,"MP.Reference":"EPA-CCD-OPERA","MW":677.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18656-38-7"}
{"Compound":"Moxifloxacin hydrochloride","CAS":"186826-86-8","CAS.Checksum":true,"DTXSID":"DTXSID4045921","Formula":"C21H25ClFN3O4","All.Compound.Names":"Moxifloxacin hydrochloride|Dtxsid4045921|186826-86-8","logHenry":-10.37,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.476,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.091,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.471,"logWSol.Reference":"EPA-CCD-OPERA","MP":224.2,"MP.Reference":"EPA-CCD-OPERA","MW":437.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"186826-86-8"}
{"Compound":"Methabenzthiazuron","CAS":"18691-97-9","CAS.Checksum":true,"DTXSID":"DTXSID0037570","Formula":"C10H11N3OS","All.Compound.Names":"Methabenzthiazuron|Dtxsid0037570|18691-97-9","logHenry":-9.069,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.637,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.103,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.569,"logWSol.Reference":"EPA-CCD-OPERA","MP":120,"MP.Reference":"EPA-CCD-OPERA","MW":221.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18691-97-9"}
{"Compound":"Epirizole","CAS":"18694-40-1","CAS.Checksum":true,"DTXSID":"DTXSID4045422","Formula":"C11H14N4O2","All.Compound.Names":"Epirizole|Dtxsid4045422|18694-40-1","logHenry":-6.597,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.262,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.665,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.557,"logWSol.Reference":"EPA-CCD-OPERA","MP":91,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.84","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18694-40-1"}
{"Compound":"4-acetylaminophenylacetic acid","CAS":"18699-02-0","CAS.Checksum":true,"DTXSID":"DTXSID0020020","Formula":"C10H11NO3","All.Compound.Names":"4-acetylaminophenylacetic acid|Actarit|Dtxsid0020020|18699-02-0","logHenry":-9.37,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.111,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.058,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.732,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.9,"MP.Reference":"EPA-CCD-OPERA","MW":193.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18699-02-0"}
{"Compound":"Acetochlor esa","CAS":"187022-11-3","CAS.Checksum":true,"DTXSID":"DTXSID6037483","Formula":"C14H21NO5S","All.Compound.Names":"Acetochlor esa|Dtxsid6037483|187022-11-3","logHenry":-9.256,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.399,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.312,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.15,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.8,"MP.Reference":"EPA-CCD-OPERA","MW":315.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"187022-11-3"}
{"Compound":"2,4,6-trichloronitrobenzene","CAS":"18708-70-8","CAS.Checksum":true,"DTXSID":"DTXSID0026204","Formula":"C6H2Cl3NO2","All.Compound.Names":"2,4,6-trichloronitrobenzene|Dtxsid0026204","logHenry":-5.039,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.689,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.081,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.529,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.85,"MP.Reference":"EPA-CCD-OPERA","MW":226.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18708-70-8"}
{"Compound":"Luliconazole","CAS":"187164-19-8","CAS.Checksum":true,"DTXSID":"DTXSID3048607","Formula":"C14H9Cl2N3S2","All.Compound.Names":"Luliconazole|Dtxsid3048607|187164-19-8","logHenry":-7.626,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.413,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.305,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.594,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.9,"MP.Reference":"EPA-CCD-OPERA","MW":354.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"187164-19-8"}
{"Compound":"Bimosiamose","CAS":"187269-40-5","CAS.Checksum":true,"DTXSID":"DTXSID8048783","Formula":"C46H54O16","All.Compound.Names":"Bimosiamose|Dtxsid8048783|187269-40-5","logHenry":-9.985,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.129,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.481,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.733,"logWSol.Reference":"EPA-CCD-OPERA","MP":247.3,"MP.Reference":"EPA-CCD-OPERA","MW":862.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.39","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"187269-40-5"}
{"Compound":"1,1,1,3,5,5,5-heptamethyltrisiloxane","CAS":"1873-88-7","CAS.Checksum":true,"DTXSID":"DTXSID1038795","Formula":"C7H22O2Si3","All.Compound.Names":"1,1,1,3,5,5,5-heptamethyltrisiloxane|Dtxsid1038795","logHenry":0.7723,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.272,"logP.Reference":"EPA-CCD-OPERA","logPwa":-3.034,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.269,"logWSol.Reference":"EPA-CCD-OPERA","MP":-70.02,"MP.Reference":"EPA-CCD-OPERA","MW":222.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1873-88-7"}
{"Compound":"(2-methylphenoxy)acetic acid","CAS":"1878-49-5","CAS.Checksum":true,"DTXSID":"DTXSID9041441","Formula":"C9H10O3","All.Compound.Names":"(2-methylphenoxy)acetic acid|Dtxsid9041441|1878-49-5","logHenry":-8.002,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.977,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.736,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.438,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.7,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1878-49-5"}
{"Compound":"6-tert-butyl-2,4-dimethylphenol","CAS":"1879-09-0","CAS.Checksum":true,"DTXSID":"DTXSID6041551","Formula":"C12H18O","All.Compound.Names":"6-tert-butyl-2,4-dimethylphenol|6-tert-butyl-2,4-xylenol|Dtxsid6041551|1879-09-0","logHenry":-5.806,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.065,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.325,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.45,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.49,"MP.Reference":"EPA-CCD-OPERA","MW":178.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1879-09-0"}
{"Compound":"Trans-beta-farnesene","CAS":"18794-84-8","CAS.Checksum":true,"DTXSID":"DTXSID9047049","Formula":"C15H24","All.Compound.Names":"Trans-beta-farnesene|Dtxsid9047049","logHenry":-2.212,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.545,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3581,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.452,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.06,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18794-84-8"}
{"Compound":"Pyricarbate","CAS":"1882-26-4","CAS.Checksum":true,"DTXSID":"DTXSID5045708","Formula":"C11H15N3O4","All.Compound.Names":"Pyricarbate|Dtxsid5045708|1882-26-4","logHenry":-9.194,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.241,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.787,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.336,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.6,"MP.Reference":"EPA-CCD-OPERA","MW":253.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.79","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1882-26-4"}
{"Compound":"(e)-2-nonenal","CAS":"18829-56-6","CAS.Checksum":true,"DTXSID":"DTXSID0047086","Formula":"C9H16O","All.Compound.Names":"(e)-2-nonenal|Dtxsid0047086","logHenry":-3.385,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.105,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.346,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.557,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.659,"MP.Reference":"EPA-CCD-OPERA","MW":140.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18829-56-6"}
{"Compound":"Furfuryl isopropyl sulfide","CAS":"1883-78-9","CAS.Checksum":true,"DTXSID":"DTXSID5047665","Formula":"C8H12OS","All.Compound.Names":"Furfuryl isopropyl sulfide|Dtxsid5047665|1883-78-9","logHenry":-5.012,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.959,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8948,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.875,"logWSol.Reference":"EPA-CCD-OPERA","MP":-19.34,"MP.Reference":"EPA-CCD-OPERA","MW":156.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1883-78-9"}
{"Compound":"Ethyl 3-acetyl-4-oxopentanoate","CAS":"18835-02-4","CAS.Checksum":true,"DTXSID":"DTXSID5044863","Formula":"C9H14O4","All.Compound.Names":"Ethyl 3-acetyl-4-oxopentanoate|Dtxsid5044863","logHenry":-5.991,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7922,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.017,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9676,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.44,"MP.Reference":"EPA-CCD-OPERA","MW":186.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18835-02-4"}
{"Compound":"Phenyl carbonochloridate","CAS":"1885-14-9","CAS.Checksum":true,"DTXSID":"DTXSID9044403","Formula":"C7H5ClO2","All.Compound.Names":"Phenyl carbonochloridate|Dtxsid9044403","logHenry":-7.361,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.318,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.135,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.389,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.27,"MP.Reference":"EPA-CCD-OPERA","MW":156.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1885-14-9"}
{"Compound":"2-aminobenzonitrile","CAS":"1885-29-6","CAS.Checksum":true,"DTXSID":"DTXSID9051824","Formula":"C7H6N2","All.Compound.Names":"2-aminobenzonitrile|Dtxsid9051824|1885-29-6","logHenry":-6.828,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.4,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.831,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.468,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.44,"MP.Reference":"EPA-CCD-OPERA","MW":118.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1885-29-6"}
{"Compound":"(2e)-3-phenylprop-2-enenitrile","CAS":"1885-38-7","CAS.Checksum":true,"DTXSID":"DTXSID8044385","Formula":"C9H7N","All.Compound.Names":"(2e)-3-phenylprop-2-enenitrile|Dtxsid8044385","logHenry":-5.135,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.961,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.008,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.086,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.8,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1885-38-7"}
{"Compound":"1,10-phenanthroline hydrochloride hydrate","CAS":"18851-33-7","CAS.Checksum":true,"DTXSID":"DTXSID6044309","Formula":"C12H11ClN2O","All.Compound.Names":"1,10-phenanthroline hydrochloride hydrate|Dtxsid6044309|18851-33-7","logHenry":-4.013,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3059,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.077,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.865,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.3,"MP.Reference":"EPA-CCD-OPERA","MW":234.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18851-33-7"}
{"Compound":"Isoxathion","CAS":"18854-01-8","CAS.Checksum":true,"DTXSID":"DTXSID0042080","Formula":"C13H16NO4PS","All.Compound.Names":"Isoxathion|Dtxsid0042080|18854-01-8","logHenry":-6.461,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.728,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.184,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.218,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.58,"MP.Reference":"EPA-CCD-OPERA","MW":313.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18854-01-8"}
{"Compound":"1-decyl-3-methylimidazolium bromide","CAS":"188589-32-4","CAS.Checksum":true,"DTXSID":"DTXSID5049237","Formula":"C14H27BrN2","All.Compound.Names":"1-decyl-3-methylimidazolium bromide|Dtxsid5049237|188589-32-4","logHenry":-3.737,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9912,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.406,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.233,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.5,"MP.Reference":"EPA-CCD-OPERA","MW":303.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"188589-32-4"}
{"Compound":"Streptozocin","CAS":"18883-66-4","CAS.Checksum":true,"DTXSID":"DTXSID2021282","Formula":"C8H15N3O7","All.Compound.Names":"Streptozocin|Streptozotocin|18883-66-4|Dtxsid2021282","logHenry":-8.95,"logHenry.Reference":"OPERA29","logP":-1.17,"logP.Reference":"OPERA29","logWSol":-0.49,"logWSol.Reference":"OPERA29","MP":115,"MP.Reference":"OPERA29","MW":265.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.21,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"18883-66-4"}
{"Compound":"Magnesium salicylate tetrahydrate","CAS":"18917-95-8","CAS.Checksum":true,"DTXSID":"DTXSID6046896","Formula":"C14H20MgO10","All.Compound.Names":"Magnesium salicylate tetrahydrate|Magnesium, bis(salicylato)-, tetrahydrate|Dtxsid6046896|18917-95-8","logHenry":-7.89,"logHenry.Reference":"OPERA29","logP":-0.08,"logP.Reference":"OPERA29","logWSol":-0.97,"logWSol.Reference":"OPERA29","MP":165,"MP.Reference":"OPERA29","MW":372.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18917-95-8"}
{"Compound":"2-hydroxyethyl disulfide","CAS":"1892-29-1","CAS.Checksum":true,"DTXSID":"DTXSID4044404","Formula":"C4H10O2S2","All.Compound.Names":"2-hydroxyethyl disulfide|Dtxsid4044404|1892-29-1","logHenry":-7.026,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8975,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.943,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1726,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.05,"MP.Reference":"EPA-CCD-OPERA","MW":154.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1892-29-1"}
{"Compound":"Fenethylline hydrochloride","CAS":"1892-80-4","CAS.Checksum":true,"DTXSID":"DTXSID3048869","Formula":"C18H24ClN5O2","All.Compound.Names":"Fenethylline hydrochloride|Dtxsid3048869|1892-80-4","logHenry":-10.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.693,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.581,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.029,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.8,"MP.Reference":"EPA-CCD-OPERA","MW":377.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1892-80-4"}
{"Compound":"2,2'-(tetradecylimino)diethanol","CAS":"18924-66-8","CAS.Checksum":true,"DTXSID":"DTXSID5044865","Formula":"C18H39NO2","All.Compound.Names":"2,2'-(tetradecylimino)diethanol|Dtxsid5044865|18924-66-8","logHenry":-8.758,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.363,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.822,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.962,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.83,"MP.Reference":"EPA-CCD-OPERA","MW":301.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18924-66-8"}
{"Compound":"Methyl trans-styryl ketone","CAS":"1896-62-4","CAS.Checksum":true,"DTXSID":"DTXSID1031626","Formula":"C10H10O","All.Compound.Names":"Methyl trans-styryl ketone|Dtxsid1031626","logHenry":-5.484,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.071,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.138,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.883,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.89,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1896-62-4"}
{"Compound":"2,6-difluorobenzonitrile","CAS":"1897-52-5","CAS.Checksum":true,"DTXSID":"DTXSID5044609","Formula":"C7H3F2N","All.Compound.Names":"2,6-difluorobenzonitrile|Dtxsid5044609","logHenry":-2.456,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.296,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.663,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.952,"logWSol.Reference":"EPA-CCD-OPERA","MP":31,"MP.Reference":"EPA-CCD-OPERA","MW":139.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1897-52-5"}
{"Compound":"1-ethylpyridinium bromide","CAS":"1906-79-2","CAS.Checksum":true,"DTXSID":"DTXSID0049238","Formula":"C7H10BrN","All.Compound.Names":"1-ethylpyridinium bromide|Dtxsid0049238|1906-79-2","logHenry":-2.455,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.6,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.509,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.21,"logWSol.Reference":"EPA-CCD-OPERA","MP":119.1,"MP.Reference":"EPA-CCD-OPERA","MW":188.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1906-79-2"}
{"Compound":"N-butyl-p-toluenesulfonamide","CAS":"1907-65-9","CAS.Checksum":true,"DTXSID":"DTXSID7042198","Formula":"C11H17NO2S","All.Compound.Names":"N-butyl-p-toluenesulfonamide|Dtxsid7042198|1907-65-9","logHenry":-6.645,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.512,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.186,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.174,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.28,"MP.Reference":"EPA-CCD-OPERA","MW":227.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1907-65-9"}
{"Compound":"Methisazone","CAS":"1910-68-5","CAS.Checksum":true,"DTXSID":"DTXSID7046413","Formula":"C10H10N4OS","All.Compound.Names":"Methisazone|Dtxsid7046413|1910-68-5","logHenry":-8.996,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.145,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.328,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.43,"logWSol.Reference":"EPA-CCD-OPERA","MP":244.9,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1910-68-5"}
{"Compound":"Pramipexole dihydrochloride monohydrate","CAS":"191217-81-9","CAS.Checksum":true,"DTXSID":"DTXSID1044227","Formula":"C10H21Cl2N3OS","All.Compound.Names":"Pramipexole dihydrochloride monohydrate|Dtxsid1044227|191217-81-9","logHenry":-9.093,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5754,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.762,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.12,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.1,"MP.Reference":"EPA-CCD-OPERA","MW":302.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"191217-81-9"}
{"Compound":"5-methyl-2-furancarboxylic acid","CAS":"1917-15-3","CAS.Checksum":true,"DTXSID":"DTXSID5021627","Formula":"C6H6O3","All.Compound.Names":"5-methyl-2-furancarboxylic acid|Dtxsid5021627|1917-15-3","logHenry":-6.876,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.63,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.337,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8259,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.2,"MP.Reference":"EPA-CCD-OPERA","MW":126.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1917-15-3"}
{"Compound":"Lenalidomide","CAS":"191732-72-6","CAS.Checksum":true,"DTXSID":"DTXSID8046664","Formula":"C13H13N3O3","All.Compound.Names":"Lenalidomide|Dtxsid8046664|191732-72-6","logHenry":-9.516,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.00652,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.395,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.206,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.9,"MP.Reference":"EPA-CCD-OPERA","MW":259.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"191732-72-6"}
{"Compound":"Terbucarb","CAS":"1918-11-2","CAS.Checksum":true,"DTXSID":"DTXSID1042441","Formula":"C17H27NO2","All.Compound.Names":"Terbucarb|Dtxsid1042441|1918-11-2","logHenry":-7.299,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.218,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.063,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.601,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.66,"MP.Reference":"EPA-CCD-OPERA","MW":277.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1918-11-2"}
{"Compound":"Chlorthiamid","CAS":"1918-13-4","CAS.Checksum":true,"DTXSID":"DTXSID4041783","Formula":"C7H5Cl2NS","All.Compound.Names":"Chlorthiamid|Dtxsid4041783|1918-13-4","logHenry":-8.583,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.836,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.95,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.338,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.4,"MP.Reference":"EPA-CCD-OPERA","MW":206.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1918-13-4"}
{"Compound":"Swep","CAS":"1918-18-9","CAS.Checksum":true,"DTXSID":"DTXSID7042437","Formula":"C8H7Cl2NO2","All.Compound.Names":"Swep|Dtxsid7042437|1918-18-9","logHenry":-8.197,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.317,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.745,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.197,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.5,"MP.Reference":"EPA-CCD-OPERA","MW":220,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1918-18-9"}
{"Compound":"Benzo(e)pyrene","CAS":"192-97-2","CAS.Checksum":true,"DTXSID":"DTXSID3023764","Formula":"C20H12","All.Compound.Names":"Benzo(e)pyrene|Benzo[e]pyrene|Dtxsid3023764","logHenry":-5.971,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.428,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.916,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.866,"logWSol.Reference":"EPA-CCD-OPERA","MP":225.8,"MP.Reference":"EPA-CCD-OPERA","MW":252.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"192-97-2"}
{"Compound":"1,2-propanediol, dibenzoate","CAS":"19224-26-1","CAS.Checksum":true,"DTXSID":"DTXSID0027802","Formula":"C17H16O4","All.Compound.Names":"1,2-propanediol, dibenzoate|Propylene glycol dibenzoate|Dtxsid0027802","logHenry":-7.178,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.246,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.287,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.49,"logWSol.Reference":"EPA-CCD-OPERA","MP":81.19,"MP.Reference":"EPA-CCD-OPERA","MW":284.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19224-26-1"}
{"Compound":"N-ethyl-n-(3-methylphenyl)ethane-1,2-diamine","CAS":"19248-13-6","CAS.Checksum":true,"DTXSID":"DTXSID5027803","Formula":"C11H18N2","All.Compound.Names":"N-ethyl-n-(3-methylphenyl)ethane-1,2-diamine|Dtxsid5027803|19248-13-6","logHenry":-5.763,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.405,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.398,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.68,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.04,"MP.Reference":"EPA-CCD-OPERA","MW":178.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19248-13-6"}
{"Compound":"Choline bromide","CAS":"1927-06-6","CAS.Checksum":true,"DTXSID":"DTXSID6049012","Formula":"C5H14BrNO","All.Compound.Names":"Choline bromide|Dtxsid6049012|1927-06-6","logHenry":-4.743,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.367,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.442,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.667,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.5,"MP.Reference":"EPA-CCD-OPERA","MW":184.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1927-06-6"}
{"Compound":"Lopinavir","CAS":"192725-17-0","CAS.Checksum":true,"DTXSID":"DTXSID8046456","Formula":"C37H48N4O5","All.Compound.Names":"Lopinavir|Dtxsid8046456|192725-17-0","logHenry":-10.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.733,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.814,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.564,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.1,"MP.Reference":"EPA-CCD-OPERA","MW":628.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"192725-17-0"}
{"Compound":"2,4-d-methyl","CAS":"1928-38-7","CAS.Checksum":true,"DTXSID":"DTXSID6041349","Formula":"C9H8Cl2O3","All.Compound.Names":"2,4-d-methyl|Dtxsid6041349","logHenry":-7.096,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.16,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.744,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.96,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.6,"MP.Reference":"EPA-CCD-OPERA","MW":235.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1928-38-7"}
{"Compound":"2,4,5-t-2-ethylhexyl","CAS":"1928-47-8","CAS.Checksum":true,"DTXSID":"DTXSID8041329","Formula":"C16H21Cl3O3","All.Compound.Names":"2,4,5-t-2-ethylhexyl|2,4,5-t 2-ethylhexyl|Dtxsid8041329","logHenry":-7.036,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.153,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.736,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.871,"logWSol.Reference":"EPA-CCD-OPERA","MP":7.44,"MP.Reference":"EPA-CCD-OPERA","MW":367.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1928-47-8"}
{"Compound":"Dl-glutamic acid monohydrate","CAS":"19285-83-7","CAS.Checksum":true,"DTXSID":"DTXSID5049239","Formula":"C5H11NO5","All.Compound.Names":"Dl-glutamic acid monohydrate|Dtxsid5049239|19285-83-7","logHenry":-9.303,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.359,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.62,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1617,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.4,"MP.Reference":"EPA-CCD-OPERA","MW":165.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.15","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19285-83-7"}
{"Compound":"2,4-d-butotyl","CAS":"1929-73-3","CAS.Checksum":true,"DTXSID":"DTXSID1032309","Formula":"C14H18Cl2O4","All.Compound.Names":"2,4-d-butotyl|Dtxsid1032309","logHenry":-7.534,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.862,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.133,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.426,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.48,"MP.Reference":"EPA-CCD-OPERA","MW":321.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1929-73-3"}
{"Compound":"Moxifloxacin hydrochloride monohydrate","CAS":"192927-63-2","CAS.Checksum":true,"DTXSID":"DTXSID1049063","Formula":"C21H27ClFN3O5","All.Compound.Names":"Moxifloxacin hydrochloride monohydrate|Dtxsid1049063|192927-63-2","logHenry":-10.37,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.852,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.714,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.471,"logWSol.Reference":"EPA-CCD-OPERA","MP":224.4,"MP.Reference":"EPA-CCD-OPERA","MW":455.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"192927-63-2"}
{"Compound":"Ximelagatran","CAS":"192939-46-1","CAS.Checksum":true,"DTXSID":"DTXSID5049075","Formula":"C24H35N5O5","All.Compound.Names":"Ximelagatran|192939-46-1|Dtxsid5049075","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5113,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.976,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.541,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.3,"MP.Reference":"EPA-CCD-OPERA","MW":473.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.21,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"192939-46-1"}
{"Compound":"Indeno(1,2,3-cd)pyrene","CAS":"193-39-5","CAS.Checksum":true,"DTXSID":"DTXSID8024153","Formula":"C22H12","All.Compound.Names":"Indeno(1,2,3-cd)pyrene|Indeno[1,2,3-cd]pyrene|Dtxsid8024153","logHenry":-6.457,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.758,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.966,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-9.111,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.5,"MP.Reference":"EPA-CCD-OPERA","MW":276.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"193-39-5"}
{"Compound":"4-hydroxy-5-methyl-3-furanone","CAS":"19322-27-1","CAS.Checksum":true,"DTXSID":"DTXSID9047417","Formula":"C5H6O3","All.Compound.Names":"4-hydroxy-5-methyl-3-furanone|Dtxsid9047417","logHenry":-6.532,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3026,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.034,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2566,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.49,"MP.Reference":"EPA-CCD-OPERA","MW":114.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19322-27-1"}
{"Compound":"Fd&c yellow 5","CAS":"1934-21-0","CAS.Checksum":true,"DTXSID":"DTXSID1021455","Formula":"C16H9N4Na3O9S2","All.Compound.Names":"Fd&c yellow 5|C.i. acid yellow 23|Dtxsid1021455|1934-21-0","logHenry":-10.51,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3858,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.976,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.666,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.6,"MP.Reference":"EPA-CCD-OPERA","MW":534.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1934-21-0"}
{"Compound":"1-phenylcyclohexylamine hydrochloride","CAS":"1934-71-0","CAS.Checksum":true,"DTXSID":"DTXSID2048901","Formula":"C12H18ClN","All.Compound.Names":"1-phenylcyclohexylamine hydrochloride|Dtxsid2048901|1934-71-0","logHenry":-5.135,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3931,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.026,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.853,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.6,"MP.Reference":"EPA-CCD-OPERA","MW":211.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1934-71-0"}
{"Compound":"Cyanamide,cyano-,sodium salt","CAS":"1934-75-4","CAS.Checksum":true,"DTXSID":"DTXSID4049404","Formula":"C2N3Na","All.Compound.Names":"Cyanamide,cyano-,sodium salt|Dtxsid4049404|Sodium cyanocyanamide|1934-75-4","logHenry":-6.727,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7914,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.032,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5018,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.8,"MP.Reference":"EPA-CCD-OPERA","MW":89.03,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1934-75-4"}
{"Compound":"Propanenitrile, 2-amino-2-methyl-","CAS":"19355-69-2","CAS.Checksum":true,"DTXSID":"DTXSID0027804","Formula":"C4H8N2","All.Compound.Names":"Propanenitrile, 2-amino-2-methyl-|2-amino-2-methylpropionitrile|Dtxsid0027804|19355-69-2","logHenry":-6.755,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7313,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.939,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6342,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.25,"MP.Reference":"EPA-CCD-OPERA","MW":84.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19355-69-2"}
{"Compound":"Calcifediol","CAS":"19356-17-3","CAS.Checksum":true,"DTXSID":"DTXSID0022721","Formula":"C27H44O2","All.Compound.Names":"Calcifediol|Dtxsid0022721|19356-17-3","logHenry":-7.64,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.135,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.385,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.9,"MP.Reference":"EPA-CCD-OPERA","MW":400.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19356-17-3"}
{"Compound":"C.i. acid orange 10","CAS":"1936-15-8","CAS.Checksum":true,"DTXSID":"DTXSID6021082","Formula":"C16H10N2Na2O7S2","All.Compound.Names":"C.i. acid orange 10|Dtxsid6021082|1936-15-8","logHenry":-10.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.792,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.544,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5632,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.2,"MP.Reference":"EPA-CCD-OPERA","MW":452.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1936-15-8"}
{"Compound":"Ftaxilide","CAS":"19368-18-4","CAS.Checksum":true,"DTXSID":"DTXSID5046300","Formula":"C16H15NO3","All.Compound.Names":"Ftaxilide|Dtxsid5046300|19368-18-4","logHenry":-9.615,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.122,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.153,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.306,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.1,"MP.Reference":"EPA-CCD-OPERA","MW":269.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19368-18-4"}
{"Compound":"Aminoguanidine hydrochloride","CAS":"1937-19-5","CAS.Checksum":true,"DTXSID":"DTXSID9044405","Formula":"CH7ClN4","All.Compound.Names":"Aminoguanidine hydrochloride|Dtxsid9044405|1937-19-5","logHenry":-8.275,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.797,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.778,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.191,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.5,"MP.Reference":"EPA-CCD-OPERA","MW":110.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1937-19-5"}
{"Compound":"C.i. direct black 38","CAS":"1937-37-7","CAS.Checksum":true,"DTXSID":"DTXSID7020184","Formula":"C34H25N9Na2O7S2","All.Compound.Names":"C.i. direct black 38|Dtxsid7020184|1937-37-7","logHenry":-8.705,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.561,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.001,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7755,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.2,"MP.Reference":"EPA-CCD-OPERA","MW":781.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1937-37-7"}
{"Compound":"3-trifluoromethylisobutyranilide","CAS":"1939-27-1","CAS.Checksum":true,"DTXSID":"DTXSID5057674","Formula":"C11H12F3NO","All.Compound.Names":"3-trifluoromethylisobutyranilide|Dtxsid5057674|1939-27-1","logHenry":-8.163,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.936,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.62,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.346,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.2,"MP.Reference":"EPA-CCD-OPERA","MW":231.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1939-27-1"}
{"Compound":"Trimethylenediaminetetraacetic acid","CAS":"1939-36-2","CAS.Checksum":true,"DTXSID":"DTXSID9029225","Formula":"C11H18N2O8","All.Compound.Names":"Trimethylenediaminetetraacetic acid|Dtxsid9029225|1939-36-2","logHenry":-10.72,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.095,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.494,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.2,"MP.Reference":"EPA-CCD-OPERA","MW":306.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1939-36-2"}
{"Compound":"3-amino-4-methylbenzamide","CAS":"19406-86-1","CAS.Checksum":true,"DTXSID":"DTXSID9044407","Formula":"C8H10N2O","All.Compound.Names":"3-amino-4-methylbenzamide|Dtxsid9044407|19406-86-1","logHenry":-8.525,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.03647,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.044,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.493,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.7,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19406-86-1"}
{"Compound":"Kasugamycin hydrochloride","CAS":"19408-46-9","CAS.Checksum":true,"DTXSID":"DTXSID2040739","Formula":"C14H26ClN3O9","All.Compound.Names":"Kasugamycin hydrochloride|Dtxsid2040739|19408-46-9","logHenry":-10.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.808,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.39,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.524,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.6,"MP.Reference":"EPA-CCD-OPERA","MW":415.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.02","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19408-46-9"}
{"Compound":"Cp-409092","CAS":"194098-25-4","CAS.Checksum":true,"DTXSID":"DTXSID2047276","Formula":"C17H19N3O2","All.Compound.Names":"Cp-409092|Dtxsid2047276|194098-25-4","logHenry":-10.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.115,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.391,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.6,"MP.Reference":"EPA-CCD-OPERA","MW":297.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"194098-25-4"}
{"Compound":"Tetrapropylammonium bromide","CAS":"1941-30-6","CAS.Checksum":true,"DTXSID":"DTXSID9026130","Formula":"C12H28BrN","All.Compound.Names":"Tetrapropylammonium bromide|Dtxsid9026130|1941-30-6","logHenry":-1.173,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.026,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.107,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.798,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.5,"MP.Reference":"EPA-CCD-OPERA","MW":266.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1941-30-6"}
{"Compound":"2-(4-tert-butylphenoxy)cyclohexan-1-ol","CAS":"1942-71-8","CAS.Checksum":true,"DTXSID":"DTXSID3051834","Formula":"C16H24O2","All.Compound.Names":"2-(4-tert-butylphenoxy)cyclohexan-1-ol|2-(4-tert-butylphenoxy)cyclohexanol|Dtxsid3051834|1942-71-8","logHenry":-4.923,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.89,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.823,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.08,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.23,"MP.Reference":"EPA-CCD-OPERA","MW":248.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1942-71-8"}
{"Compound":"4,4'-octahydro-1h-4,7-methanoindene-5,5-diyldiphenol","CAS":"1943-97-1","CAS.Checksum":true,"DTXSID":"DTXSID3047893","Formula":"C22H24O2","All.Compound.Names":"4,4'-octahydro-1h-4,7-methanoindene-5,5-diyldiphenol|Dtxsid3047893|1943-97-1","logHenry":-7.598,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.793,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.61,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.693,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.5,"MP.Reference":"EPA-CCD-OPERA","MW":320.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1943-97-1"}
{"Compound":"1,3-isobenzofurandione, 5-methyl-","CAS":"19438-61-0","CAS.Checksum":true,"DTXSID":"DTXSID5027805","Formula":"C9H6O3","All.Compound.Names":"1,3-isobenzofurandione, 5-methyl-|4-methylphthalic anhydride|Dtxsid5027805","logHenry":-9.411,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.15,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.042,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.483,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.4,"MP.Reference":"EPA-CCD-OPERA","MW":162.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19438-61-0"}
{"Compound":"Fenoterol hydrobromide","CAS":"1944-12-3","CAS.Checksum":true,"DTXSID":"DTXSID5045419","Formula":"C17H22BrNO4","All.Compound.Names":"Fenoterol hydrobromide|Dtxsid5045419|1944-12-3","logHenry":-9.949,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.47,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.91,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.7,"MP.Reference":"EPA-CCD-OPERA","MW":384.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.49","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1944-12-3"}
{"Compound":"Potassium pentanoate","CAS":"19455-21-1","CAS.Checksum":true,"DTXSID":"DTXSID6048709","Formula":"C5H9KO2","All.Compound.Names":"Potassium pentanoate|Dtxsid6048709|19455-21-1","logHenry":-6.323,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.88,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.211,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5201,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.6,"MP.Reference":"EPA-CCD-OPERA","MW":140.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19455-21-1"}
{"Compound":"Tert-butylhydroquinone","CAS":"1948-33-0","CAS.Checksum":true,"DTXSID":"DTXSID6020220","Formula":"C10H14O2","All.Compound.Names":"Tert-butylhydroquinone|Dtxsid6020220|1948-33-0","logHenry":-6.744,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.302,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.537,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.025,"logWSol.Reference":"EPA-CCD-OPERA","MP":127.6,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1948-33-0"}
{"Compound":"Oxalamine citrate","CAS":"1949-20-8","CAS.Checksum":true,"DTXSID":"DTXSID9045556","Formula":"C20H27N3O8","All.Compound.Names":"Oxalamine citrate|Dtxsid9045556|1949-20-8","logHenry":-6.676,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8376,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.008,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.665,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.5,"MP.Reference":"EPA-CCD-OPERA","MW":437.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1949-20-8"}
{"Compound":"Variotin","CAS":"19504-77-9","CAS.Checksum":true,"DTXSID":"DTXSID5057676","Formula":"C17H25NO3","All.Compound.Names":"Variotin|Dtxsid5057676|19504-77-9","logHenry":-8.652,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.715,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.225,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.358,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.98,"MP.Reference":"EPA-CCD-OPERA","MW":291.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19504-77-9"}
{"Compound":"Glycine, n-phenyl-, monopotassium salt","CAS":"19525-59-8","CAS.Checksum":true,"DTXSID":"DTXSID0027806","Formula":"C8H8KNO2","All.Compound.Names":"Glycine, n-phenyl-, monopotassium salt|Potassium anilinoacetate|Dtxsid0027806|19525-59-8","logHenry":-7.541,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.062,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.904,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.362,"logWSol.Reference":"EPA-CCD-OPERA","MP":209,"MP.Reference":"EPA-CCD-OPERA","MW":189.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19525-59-8"}
{"Compound":"Sodium 2-amino-5-sulfonaphthalene-1-sulfonate","CAS":"19532-03-7","CAS.Checksum":true,"DTXSID":"DTXSID9044611","Formula":"C10H8NNaO6S2","All.Compound.Names":"Sodium 2-amino-5-sulfonaphthalene-1-sulfonate|1,5-naphthalenedisulfonic acid, 2-amino-, sodium salt (1:1)|Dtxsid9044611|19532-03-7","logHenry":-8.222,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.06548,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.188,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.115,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.6,"MP.Reference":"EPA-CCD-OPERA","MW":325.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19532-03-7"}
{"Compound":"Mecloralurea","CAS":"1954-79-6","CAS.Checksum":true,"DTXSID":"DTXSID2046383","Formula":"C4H7Cl3N2O2","All.Compound.Names":"Mecloralurea|Dtxsid2046383|1954-79-6","logHenry":-8.555,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.06386,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.382,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2423,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.1,"MP.Reference":"EPA-CCD-OPERA","MW":221.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1954-79-6"}
{"Compound":"Piromidic acid","CAS":"19562-30-2","CAS.Checksum":true,"DTXSID":"DTXSID4045424","Formula":"C14H16N4O3","All.Compound.Names":"Piromidic acid|Dtxsid4045424|19562-30-2","logHenry":-8.764,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.04296,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.893,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.167,"logWSol.Reference":"EPA-CCD-OPERA","MP":314.9,"MP.Reference":"EPA-CCD-OPERA","MW":288.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19562-30-2"}
{"Compound":"Chlormadinone","CAS":"1961-77-9","CAS.Checksum":true,"DTXSID":"DTXSID3022796","Formula":"C21H27ClO3","All.Compound.Names":"Chlormadinone|Dtxsid3022796|1961-77-9","logHenry":-6.657,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.985,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.552,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.744,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.4,"MP.Reference":"EPA-CCD-OPERA","MW":362.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1961-77-9"}
{"Compound":"2,3-dibromopropyl acrylate","CAS":"19660-16-3","CAS.Checksum":true,"DTXSID":"DTXSID7024950","Formula":"C6H8Br2O2","All.Compound.Names":"2,3-dibromopropyl acrylate|Dtxsid7024950","logHenry":-7.294,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.027,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.533,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.708,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.18,"MP.Reference":"EPA-CCD-OPERA","MW":271.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19660-16-3"}
{"Compound":"Farglitazar","CAS":"196808-45-4","CAS.Checksum":true,"DTXSID":"DTXSID1047310","Formula":"C34H30N2O5","All.Compound.Names":"Farglitazar|Dtxsid1047310|196808-45-4","logHenry":-7.533,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.55,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.187,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.608,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.4,"MP.Reference":"EPA-CCD-OPERA","MW":546.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"196808-45-4"}
{"Compound":"Uk-333747","CAS":"197077-55-7","CAS.Checksum":true,"DTXSID":"DTXSID1047287","Formula":"C17H12Cl2N6O4","All.Compound.Names":"Uk-333747|Dtxsid1047287|197077-55-7","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.789,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.925,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.868,"logWSol.Reference":"EPA-CCD-OPERA","MP":233.4,"MP.Reference":"EPA-CCD-OPERA","MW":435.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"197077-55-7"}
{"Compound":"2,4-dichlorophenylacetic acid","CAS":"19719-28-9","CAS.Checksum":true,"DTXSID":"DTXSID4041363","Formula":"C8H6Cl2O2","All.Compound.Names":"2,4-dichlorophenylacetic acid|Dtxsid4041363|19719-28-9","logHenry":-7.659,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.547,"logP.Reference":"EPA-CCD-OPERA","logPwa":6,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.142,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.4,"MP.Reference":"EPA-CCD-OPERA","MW":205,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19719-28-9"}
{"Compound":"3-mercapto-1-propanol","CAS":"19721-22-3","CAS.Checksum":true,"DTXSID":"DTXSID3051836","Formula":"C3H8OS","All.Compound.Names":"3-mercapto-1-propanol|Dtxsid3051836|19721-22-3","logHenry":-6.197,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3397,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.875,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4947,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.54,"MP.Reference":"EPA-CCD-OPERA","MW":92.16,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19721-22-3"}
{"Compound":"2-methyl-3-nitrobenzoic acid","CAS":"1975-50-4","CAS.Checksum":true,"DTXSID":"DTXSID7025637","Formula":"C8H7NO4","All.Compound.Names":"2-methyl-3-nitrobenzoic acid|Dtxsid7025637|1975-50-4","logHenry":-7.621,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.154,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.577,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.086,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.9,"MP.Reference":"EPA-CCD-OPERA","MW":181.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1975-50-4"}
{"Compound":"Decanenitrile","CAS":"1975-78-6","CAS.Checksum":true,"DTXSID":"DTXSID9027449","Formula":"C10H19N","All.Compound.Names":"Decanenitrile|Dtxsid9027449","logHenry":-3.609,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.976,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.278,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.177,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.92,"MP.Reference":"EPA-CCD-OPERA","MW":153.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1975-78-6"}
{"Compound":"Chlordimeform hydrochloride","CAS":"19750-95-9","CAS.Checksum":true,"DTXSID":"DTXSID5044811","Formula":"C10H14Cl2N2","All.Compound.Names":"Chlordimeform hydrochloride|Dtxsid5044811|19750-95-9","logHenry":-4.43,"logHenry.Reference":"OPERA29","logP":1.79,"logP.Reference":"OPERA29","logWSol":-2.86,"logWSol.Reference":"OPERA29","MP":48,"MP.Reference":"OPERA29","MW":233.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19750-95-9"}
{"Compound":"Sodium 2-mercaptoethanesulfonate","CAS":"19767-45-4","CAS.Checksum":true,"DTXSID":"DTXSID1020809","Formula":"C2H5NaO3S2","All.Compound.Names":"Sodium 2-mercaptoethanesulfonate|Dtxsid1020809|19767-45-4","logHenry":-8.303,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.969,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.867,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4862,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.1,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19767-45-4"}
{"Compound":"Perlapine","CAS":"1977-11-3","CAS.Checksum":true,"DTXSID":"DTXSID1048758","Formula":"C19H21N3","All.Compound.Names":"Perlapine|Dtxsid1048758|1977-11-3","logHenry":-8.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.078,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.483,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.655,"logWSol.Reference":"EPA-CCD-OPERA","MP":137,"MP.Reference":"EPA-CCD-OPERA","MW":291.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"12.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1977-11-3"}
{"Compound":"(2-dodecenyl)succinic anhydride","CAS":"19780-11-1","CAS.Checksum":true,"DTXSID":"DTXSID7025217","Formula":"C16H26O3","All.Compound.Names":"(2-dodecenyl)succinic anhydride|Dtxsid7025217","logHenry":-7.524,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.468,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.902,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.126,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.77,"MP.Reference":"EPA-CCD-OPERA","MW":266.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19780-11-1"}
{"Compound":"2-methylphenethyl alcohol","CAS":"19819-98-8","CAS.Checksum":true,"DTXSID":"DTXSID1047071","Formula":"C9H12O","All.Compound.Names":"2-methylphenethyl alcohol|Dtxsid1047071|19819-98-8","logHenry":-6.213,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.972,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.176,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.104,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.902,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19819-98-8"}
{"Compound":"Chloroxuron","CAS":"1982-47-4","CAS.Checksum":true,"DTXSID":"DTXSID7040287","Formula":"C15H15ClN2O2","All.Compound.Names":"Chloroxuron|Dtxsid7040287|1982-47-4","logHenry":-9.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.698,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.962,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.891,"logWSol.Reference":"EPA-CCD-OPERA","MP":151,"MP.Reference":"EPA-CCD-OPERA","MW":290.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1982-47-4"}
{"Compound":"Siduron","CAS":"1982-49-6","CAS.Checksum":true,"DTXSID":"DTXSID7032474","Formula":"C14H20N2O","All.Compound.Names":"Siduron|Dtxsid7032474|1982-49-6","logHenry":-9.701,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.798,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.327,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.102,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.6,"MP.Reference":"EPA-CCD-OPERA","MW":232.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1982-49-6"}
{"Compound":"Medronic acid","CAS":"1984-15-2","CAS.Checksum":true,"DTXSID":"DTXSID8045696","Formula":"CH6O6P2","All.Compound.Names":"Medronic acid|Dtxsid8045696|1984-15-2","logHenry":-8.028,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4633,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.87,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01987,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.5,"MP.Reference":"EPA-CCD-OPERA","MW":176,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1984-15-2"}
{"Compound":"2,5-dichloroanisole","CAS":"1984-58-3","CAS.Checksum":true,"DTXSID":"DTXSID8027452","Formula":"C7H6Cl2O","All.Compound.Names":"2,5-dichloroanisole|1,4-dichloro-2-methoxybenzene|Dtxsid8027452","logHenry":-4.694,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.234,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.82,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.375,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.16,"MP.Reference":"EPA-CCD-OPERA","MW":177,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1984-58-3"}
{"Compound":"Parecoxib sodium","CAS":"198470-85-8","CAS.Checksum":true,"DTXSID":"DTXSID6048670","Formula":"C19H17N2NaO4S","All.Compound.Names":"Parecoxib sodium|Dtxsid6048670|198470-85-8","logHenry":-9.038,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.085,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.275,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.248,"logWSol.Reference":"EPA-CCD-OPERA","MP":202,"MP.Reference":"EPA-CCD-OPERA","MW":392.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"198470-85-8"}
{"Compound":"Bazedoxifene acetate","CAS":"198481-33-3","CAS.Checksum":true,"DTXSID":"DTXSID3048657","Formula":"C32H38N2O5","All.Compound.Names":"Bazedoxifene acetate|Dtxsid3048657|198481-33-3","logHenry":-9.856,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9922,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.712,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.157,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.7,"MP.Reference":"EPA-CCD-OPERA","MW":530.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"198481-33-3"}
{"Compound":"2,2-dimethylpropane-1,3-diyl bis(2-methylprop-2-enoate)","CAS":"1985-51-9","CAS.Checksum":true,"DTXSID":"DTXSID5044867","Formula":"C13H20O4","All.Compound.Names":"2,2-dimethylpropane-1,3-diyl bis(2-methylprop-2-enoate)|Dtxsid5044867","logHenry":-5.046,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.79,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.922,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.654,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.52,"MP.Reference":"EPA-CCD-OPERA","MW":240.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1985-51-9"}
{"Compound":"Tranylcypromine hydrochloride","CAS":"1986-47-6","CAS.Checksum":true,"DTXSID":"DTXSID6047781","Formula":"C9H12ClN","All.Compound.Names":"Tranylcypromine hydrochloride|Dtxsid6047781|1986-47-6","logHenry":-5.423,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9415,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.211,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.895,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.5,"MP.Reference":"EPA-CCD-OPERA","MW":169.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1986-47-6"}
{"Compound":"Bolandiol dipropionate","CAS":"1986-53-4","CAS.Checksum":true,"DTXSID":"DTXSID0057677","Formula":"C24H36O4","All.Compound.Names":"Bolandiol dipropionate|Dtxsid0057677","logHenry":-7.254,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.005,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.568,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.298,"logWSol.Reference":"EPA-CCD-OPERA","MP":119,"MP.Reference":"EPA-CCD-OPERA","MW":388.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1986-53-4"}
{"Compound":"Nitroscanate","CAS":"19881-18-6","CAS.Checksum":true,"DTXSID":"DTXSID9048772","Formula":"C13H8N2O3S","All.Compound.Names":"Nitroscanate|Dtxsid9048772|19881-18-6","logHenry":-7.053,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.866,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.547,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.339,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.1,"MP.Reference":"EPA-CCD-OPERA","MW":272.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19881-18-6"}
{"Compound":"Atazanavir","CAS":"198904-31-3","CAS.Checksum":true,"DTXSID":"DTXSID9048691","Formula":"C38H52N6O7","All.Compound.Names":"Atazanavir|198904-31-3|Dtxsid9048691","logHenry":-10.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.205,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.344,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.641,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.2,"MP.Reference":"EPA-CCD-OPERA","MW":704.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"5.3,2.35,11.9","Human.Caco2.Pab.Reference":"ChEMBL","Human.Foral":0.64,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"198904-31-3"}
{"Compound":"Cp-401387","CAS":"199171-88-5","CAS.Checksum":true,"DTXSID":"DTXSID9047253","Formula":"C23H29N3O2","All.Compound.Names":"Cp-401387|Dtxsid9047253|199171-88-5","logHenry":-7.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.93,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.413,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.821,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.1,"MP.Reference":"EPA-CCD-OPERA","MW":379.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"199171-88-5"}
{"Compound":"6-chloro-2,3-dihydrobenzoxazol-2-one","CAS":"19932-84-4","CAS.Checksum":true,"DTXSID":"DTXSID2041545","Formula":"C7H4ClNO2","All.Compound.Names":"6-chloro-2,3-dihydrobenzoxazol-2-one|Dtxsid2041545|19932-84-4","logHenry":-8.563,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.413,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.861,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.347,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.4,"MP.Reference":"EPA-CCD-OPERA","MW":169.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19932-84-4"}
{"Compound":"2-amino-4-chlorobenzothiazole","CAS":"19952-47-7","CAS.Checksum":true,"DTXSID":"DTXSID0024470","Formula":"C7H5ClN2S","All.Compound.Names":"2-amino-4-chlorobenzothiazole|4-chlorobenzothiazol-2-ylamine|Dtxsid0024470|19952-47-7","logHenry":-6.943,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.773,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.427,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.657,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.1,"MP.Reference":"EPA-CCD-OPERA","MW":184.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19952-47-7"}
{"Compound":"1-methoxy-4-tert-pentylcyclohexane","CAS":"199584-38-8","CAS.Checksum":true,"DTXSID":"DTXSID0048187","Formula":"C12H24O","All.Compound.Names":"1-methoxy-4-tert-pentylcyclohexane|Dtxsid0048187","logHenry":-2.984,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.388,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1637,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.146,"logWSol.Reference":"EPA-CCD-OPERA","MP":-37.3,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"199584-38-8"}
{"Compound":"Memantine","CAS":"19982-08-2","CAS.Checksum":true,"DTXSID":"DTXSID5045174","Formula":"C12H21N","All.Compound.Names":"Memantine|19982-08-2|Dtxsid5045174","logHenry":-4.772,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.281,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.126,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.31,"logWSol.Reference":"EPA-CCD-OPERA","MP":257.7,"MP.Reference":"EPA-CCD-OPERA","MW":179.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"19982-08-2"}
{"Compound":"Geliomycin","CAS":"20004-62-0","CAS.Checksum":true,"DTXSID":"DTXSID4046101","Formula":"C22H16O6","All.Compound.Names":"Geliomycin|Dtxsid4046101|20004-62-0","logHenry":-10.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.117,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.326,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.467,"logWSol.Reference":"EPA-CCD-OPERA","MP":247.9,"MP.Reference":"EPA-CCD-OPERA","MW":376.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20004-62-0"}
{"Compound":"Diponium bromide","CAS":"2001-81-2","CAS.Checksum":true,"DTXSID":"DTXSID2048797","Formula":"C20H38BrNO2","All.Compound.Names":"Diponium bromide|Dtxsid2048797|2001-81-2","logHenry":-6.608,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8227,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.083,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.4,"MP.Reference":"EPA-CCD-OPERA","MW":404.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2001-81-2"}
{"Compound":"Diiodomethyl 4-methylphenyl sulfone","CAS":"20018-09-1","CAS.Checksum":true,"DTXSID":"DTXSID3032541","Formula":"C8H8I2O2S","All.Compound.Names":"Diiodomethyl 4-methylphenyl sulfone|Dtxsid3032541","logHenry":-4.949,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.702,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.497,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.93,"MP.Reference":"EPA-CCD-OPERA","MW":422,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20018-09-1"}
{"Compound":"Flumethasone pivalate","CAS":"2002-29-1","CAS.Checksum":true,"DTXSID":"DTXSID7049005","Formula":"C27H36F2O6","All.Compound.Names":"Flumethasone pivalate|Dtxsid7049005|2002-29-1","logHenry":-11.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.859,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.697,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.864,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.6,"MP.Reference":"EPA-CCD-OPERA","MW":494.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2002-29-1"}
{"Compound":"Cetirizine amide dihydrochloride","CAS":"200707-85-3","CAS.Checksum":true,"DTXSID":"DTXSID2049052","Formula":"C21H28Cl3N3O2","All.Compound.Names":"Cetirizine amide dihydrochloride|Dtxsid2049052|200707-85-3","logHenry":-9.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.915,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.383,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.997,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.2,"MP.Reference":"EPA-CCD-OPERA","MW":460.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"200707-85-3"}
{"Compound":"2,4-d, dimethylamine salt","CAS":"2008-39-1","CAS.Checksum":true,"DTXSID":"DTXSID0024896","Formula":"C10H13Cl2NO3","All.Compound.Names":"2,4-d, dimethylamine salt|2,4-d dimethylamine salt|Dtxsid0024896|(2,4-dichlorophenoxy)acetic acid dimethylamine|2008-39-1","logHenry":-8.529,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.371,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.278,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.165,"logWSol.Reference":"EPA-CCD-OPERA","MP":86,"MP.Reference":"EPA-CCD-OPERA","MW":266.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2008-39-1"}
{"Compound":"2,6-dichlorobenzamide","CAS":"2008-58-4","CAS.Checksum":true,"DTXSID":"DTXSID7022170","Formula":"C7H5Cl2NO","All.Compound.Names":"2,6-dichlorobenzamide|Dtxsid7022170|2008-58-4","logHenry":-8.549,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7726,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.448,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.9,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.4,"MP.Reference":"EPA-CCD-OPERA","MW":190,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2008-58-4"}
{"Compound":"6-chlorohexan-1-ol","CAS":"2009-83-8","CAS.Checksum":true,"DTXSID":"DTXSID4049240","Formula":"C6H13ClO","All.Compound.Names":"6-chlorohexan-1-ol|Dtxsid4049240|2009-83-8","logHenry":-5.536,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.951,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.902,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2339,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.24,"MP.Reference":"EPA-CCD-OPERA","MW":136.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2009-83-8"}
{"Compound":"Sb243213a","CAS":"200940-23-4","CAS.Checksum":true,"DTXSID":"DTXSID5047322","Formula":"C22H20ClF3N4O2","All.Compound.Names":"Sb243213a|Dtxsid5047322|200940-23-4","logHenry":-8.278,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.807,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.501,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.661,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.1,"MP.Reference":"EPA-CCD-OPERA","MW":464.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.38","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"200940-23-4"}
{"Compound":"Idramantone","CAS":"20098-14-0","CAS.Checksum":true,"DTXSID":"DTXSID8046581","Formula":"C10H14O2","All.Compound.Names":"Idramantone|Dtxsid8046581|20098-14-0","logHenry":-7.678,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.149,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.21,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.125,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.8,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20098-14-0"}
{"Compound":"3,4,5-trichloronitrobenzene","CAS":"20098-48-0","CAS.Checksum":true,"DTXSID":"DTXSID5026205","Formula":"C6H2Cl3NO2","All.Compound.Names":"3,4,5-trichloronitrobenzene|Dtxsid5026205","logHenry":-4.835,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.558,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.211,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.062,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.23,"MP.Reference":"EPA-CCD-OPERA","MW":226.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20098-48-0"}
{"Compound":"Nimetazepam","CAS":"2011-67-8","CAS.Checksum":true,"DTXSID":"DTXSID6023369","Formula":"C16H13N3O3","All.Compound.Names":"Nimetazepam|Dtxsid6023369|2011-67-8","logHenry":-8.306,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.161,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.587,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.804,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.17,"MP.Reference":"EPA-CCD-OPERA","MW":295.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2011-67-8"}
{"Compound":"Phosphonic acid, (3-((hydroxymethyl)amino)-3-oxopropyl)-, dimethyl ester","CAS":"20120-33-6","CAS.Checksum":true,"DTXSID":"DTXSID9040215","Formula":"C6H14NO5P","All.Compound.Names":"Phosphonic acid, (3-((hydroxymethyl)amino)-3-oxopropyl)-, dimethyl ester|Dimethyl [3-[(hydroxy methyl)amino] -3-oxopropyl] phosphonate|Dimethyl (3-((hydroxymethyl)amino)-3-oxopropyl)phosphonate|Dtxsid9040215|20120-33-6","logHenry":-9.307,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3597,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.558,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4996,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.3,"MP.Reference":"EPA-CCD-OPERA","MW":211.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.4575","Human.Clint.Reference":"Paini 2020","Chemical.Class":"","_row":"20120-33-6"}
{"Compound":"1-decanamine","CAS":"2016-57-1","CAS.Checksum":true,"DTXSID":"DTXSID2022171","Formula":"C10H23N","All.Compound.Names":"1-decanamine|Dtxsid2022171|2016-57-1","logHenry":-4.374,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.565,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.885,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.459,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.96,"MP.Reference":"EPA-CCD-OPERA","MW":157.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2016-57-1"}
{"Compound":"Amiloride hydrochloride","CAS":"2016-88-8","CAS.Checksum":true,"DTXSID":"DTXSID2024452","Formula":"C6H9Cl2N7O","All.Compound.Names":"Amiloride hydrochloride|Dtxsid2024452|2016-88-8","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2347,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.701,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.93,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.5,"MP.Reference":"EPA-CCD-OPERA","MW":266.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2016-88-8"}
{"Compound":"Sivelestat sodium tetrahydrate","CAS":"201677-61-4","CAS.Checksum":true,"DTXSID":"DTXSID0046727","Formula":"C20H29N2NaO11S","All.Compound.Names":"Sivelestat sodium tetrahydrate|Dtxsid0046727|201677-61-4","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.354,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.043,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.077,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.6,"MP.Reference":"EPA-CCD-OPERA","MW":528.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"201677-61-4"}
{"Compound":"Phenyl 11-iodo-10-undecynoate","CAS":"2020-25-9","CAS.Checksum":true,"DTXSID":"DTXSID9048778","Formula":"C17H21IO2","All.Compound.Names":"Phenyl 11-iodo-10-undecynoate|Dtxsid9048778","logHenry":-7.098,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.702,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.702,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.235,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.88,"MP.Reference":"EPA-CCD-OPERA","MW":384.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2020-25-9"}
{"Compound":"Ethyl hydrocinnamate","CAS":"2021-28-5","CAS.Checksum":true,"DTXSID":"DTXSID9047095","Formula":"C11H14O2","All.Compound.Names":"Ethyl hydrocinnamate|Ethyl 3-phenylpropionate|Dtxsid9047095","logHenry":-4.107,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.733,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.989,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.911,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.533,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2021-28-5"}
{"Compound":"Tenofovir disoproxil fumarate","CAS":"202138-50-9","CAS.Checksum":true,"DTXSID":"DTXSID5050426","Formula":"C23H34N5O14P","All.Compound.Names":"Tenofovir disoproxil fumarate|Dtxsid5050426|202138-50-9","logHenry":-11.88,"logHenry.Reference":"OPERA29","logP":0.55,"logP.Reference":"OPERA29","logWSol":-2.99,"logWSol.Reference":"OPERA29","MP":146,"MP.Reference":"OPERA29","MW":635.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"202138-50-9"}
{"Compound":"S-(-)-secobarbital","CAS":"20224-45-7","CAS.Checksum":true,"DTXSID":"DTXSID7048873","Formula":"C12H18N2O3","All.Compound.Names":"S-(-)-secobarbital|Dtxsid7048873|20224-45-7","logHenry":-8.448,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.971,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.237,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.279,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.4,"MP.Reference":"EPA-CCD-OPERA","MW":238.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20224-45-7"}
{"Compound":"Metitepine","CAS":"20229-30-5","CAS.Checksum":true,"DTXSID":"DTXSID2044000","Formula":"C20H24N2S2","All.Compound.Names":"Metitepine|Dtxsid2044000|20229-30-5","logHenry":-5.304,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.802,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.908,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.618,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.5,"MP.Reference":"EPA-CCD-OPERA","MW":356.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20229-30-5"}
{"Compound":"Dehydroabietylamine acetate","CAS":"2026-24-6","CAS.Checksum":true,"DTXSID":"DTXSID1047102","Formula":"C22H35NO2","All.Compound.Names":"Dehydroabietylamine acetate|Dtxsid1047102|2026-24-6","logHenry":-4.699,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.03,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.864,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.123,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.97,"MP.Reference":"EPA-CCD-OPERA","MW":345.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2026-24-6"}
{"Compound":"4-chloroaniline hydrochloride","CAS":"20265-96-7","CAS.Checksum":true,"DTXSID":"DTXSID4020296","Formula":"C6H7Cl2N","All.Compound.Names":"4-chloroaniline hydrochloride|Dtxsid4020296|20265-96-7","logHenry":-6.468,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.097,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.347,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.558,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.8,"MP.Reference":"EPA-CCD-OPERA","MW":164,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20265-96-7"}
{"Compound":"4-methoxyaniline hydrochloride","CAS":"20265-97-8","CAS.Checksum":true,"DTXSID":"DTXSID3020093","Formula":"C7H10ClNO","All.Compound.Names":"4-methoxyaniline hydrochloride|P-anisidinium chloride|Dtxsid3020093|20265-97-8","logHenry":-7.176,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8226,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.091,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7714,"logWSol.Reference":"EPA-CCD-OPERA","MP":229.5,"MP.Reference":"EPA-CCD-OPERA","MW":159.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.11","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20265-97-8"}
{"Compound":"4-h-cyclopenta(d,e,f)phenanthrene","CAS":"203-64-5","CAS.Checksum":true,"DTXSID":"DTXSID1024887","Formula":"C15H10","All.Compound.Names":"4-h-cyclopenta(d,e,f)phenanthrene|4h-cyclopenta(def)phenanthrene|Dtxsid1024887","logHenry":-4.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.923,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.285,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.242,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.2,"MP.Reference":"EPA-CCD-OPERA","MW":190.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"203-64-5"}
{"Compound":"Clofazimine","CAS":"2030-63-9","CAS.Checksum":true,"DTXSID":"DTXSID7022839","Formula":"C27H22Cl2N4","All.Compound.Names":"Clofazimine|2030-63-9|Dtxsid7022839","logHenry":-8.19,"logHenry.Reference":"OPERA29","logP":7.66,"logP.Reference":"OPERA29","logWSol":-5.8,"logWSol.Reference":"OPERA29","MP":211,"MP.Reference":"OPERA29","MW":473.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.57,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"2030-63-9"}
{"Compound":"Triethoxymethylsilane","CAS":"2031-67-6","CAS.Checksum":true,"DTXSID":"DTXSID6042490","Formula":"C7H18O3Si","All.Compound.Names":"Triethoxymethylsilane|Triethoxy methylsilane|Dtxsid6042490","logHenry":-3.842,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.572,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.161,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.332,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.36,"MP.Reference":"EPA-CCD-OPERA","MW":178.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.871","Human.Clint.Reference":"Paini 2020","Chemical.Class":"","_row":"2031-67-6"}
{"Compound":"Aminocarb","CAS":"2032-59-9","CAS.Checksum":true,"DTXSID":"DTXSID7022172","Formula":"C11H16N2O2","All.Compound.Names":"Aminocarb|Dtxsid7022172|2032-59-9","logHenry":-8.368,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.901,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.728,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.36,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.5,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2032-59-9"}
{"Compound":"Methiocarb","CAS":"2032-65-7","CAS.Checksum":true,"DTXSID":"DTXSID3032626","Formula":"C11H15NO2S","All.Compound.Names":"Methiocarb|Dtxsid3032626|2032-65-7","logHenry":-8.927,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.918,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.623,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.993,"logWSol.Reference":"EPA-CCD-OPERA","MP":119.7,"MP.Reference":"EPA-CCD-OPERA","MW":225.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2032-65-7"}
{"Compound":"Spirotetramat","CAS":"203313-25-1","CAS.Checksum":true,"DTXSID":"DTXSID7044342","Formula":"C21H27NO5","All.Compound.Names":"Spirotetramat|Dtxsid7044342|203313-25-1","logHenry":-7.957,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.606,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.803,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.655,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.5,"MP.Reference":"EPA-CCD-OPERA","MW":373.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"203313-25-1"}
{"Compound":"1-butylpyridinium tetrafluoroborate","CAS":"203389-28-0","CAS.Checksum":true,"DTXSID":"DTXSID9049241","Formula":"C9H14BF4N","All.Compound.Names":"1-butylpyridinium tetrafluoroborate|Dtxsid9049241|203389-28-0","logHenry":-2.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6501,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.211,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.761,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.13,"MP.Reference":"EPA-CCD-OPERA","MW":223,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"203389-28-0"}
{"Compound":"Carsalam","CAS":"2037-95-8","CAS.Checksum":true,"DTXSID":"DTXSID3046584","Formula":"C8H5NO3","All.Compound.Names":"Carsalam|Dtxsid3046584|2037-95-8","logHenry":-7.943,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.078,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.794,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.724,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.4,"MP.Reference":"EPA-CCD-OPERA","MW":163.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2037-95-8"}
{"Compound":"2-morpholinoethylamine","CAS":"2038-03-1","CAS.Checksum":true,"DTXSID":"DTXSID4044408","Formula":"C6H14N2O","All.Compound.Names":"2-morpholinoethylamine|Dtxsid4044408|2038-03-1","logHenry":-8.508,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3526,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.422,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9984,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.56,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2038-03-1"}
{"Compound":"1,2-pyrrolidinedicarboxylicacid,4-fluoro-,1-(1,1-dimethylethyl)ester,(2s,4s)-","CAS":"203866-13-1","CAS.Checksum":true,"DTXSID":"DTXSID4049242","Formula":"C10H16FNO4","All.Compound.Names":"1,2-pyrrolidinedicarboxylicacid,4-fluoro-,1-(1,1-dimethylethyl)ester,(2s,4s)-|(4s)-1-tert-butoxycarbonyl-4-fluoro-l-proline|Dtxsid4049242|203866-13-1","logHenry":-8.923,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.776,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.989,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5813,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.36,"MP.Reference":"EPA-CCD-OPERA","MW":233.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"203866-13-1"}
{"Compound":"3-acetylphenanthrene","CAS":"2039-76-1","CAS.Checksum":true,"DTXSID":"DTXSID9049243","Formula":"C16H12O","All.Compound.Names":"3-acetylphenanthrene|Dtxsid9049243","logHenry":-6.493,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.976,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.989,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.409,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.1,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2039-76-1"}
{"Compound":"Uk-337312","CAS":"203942-49-8","CAS.Checksum":true,"DTXSID":"DTXSID6047288","Formula":"C34H42Cl2F6N2O4S","All.Compound.Names":"Uk-337312|Dtxsid6047288|203942-49-8","logHenry":-7.22,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7338,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.94,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.018,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.5,"MP.Reference":"EPA-CCD-OPERA","MW":759.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"203942-49-8"}
{"Compound":"4'-tert-butyl-2',6'-dimethylacetophenone","CAS":"2040-10-0","CAS.Checksum":true,"DTXSID":"DTXSID9047120","Formula":"C14H20O","All.Compound.Names":"4'-tert-butyl-2',6'-dimethylacetophenone|Dtxsid9047120","logHenry":-4.013,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.872,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.004,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.905,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.91,"MP.Reference":"EPA-CCD-OPERA","MW":204.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2040-10-0"}
{"Compound":"Su-5416","CAS":"204005-46-9","CAS.Checksum":true,"DTXSID":"DTXSID1041132","Formula":"C15H14N2O","All.Compound.Names":"Su-5416|Dtxsid1041132|204005-46-9","logHenry":-9.665,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.957,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.313,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.677,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.9,"MP.Reference":"EPA-CCD-OPERA","MW":238.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.02","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"204005-46-9"}
{"Compound":"1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane","CAS":"2043-55-2","CAS.Checksum":true,"DTXSID":"DTXSID1047578","Formula":"C6H4F9I","All.Compound.Names":"1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane|1h,1h,2h,2h-perfluorohexyl iodide|Dtxsid1047578","logHenry":-2.36,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.077,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.553,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.895,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.16,"MP.Reference":"EPA-CCD-OPERA","MW":374,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"2043-55-2"}
{"Compound":"1h,1h,2h,2h-perfluorooctyl iodide","CAS":"2043-57-4","CAS.Checksum":true,"DTXSID":"DTXSID2047565","Formula":"C8H4F13I","All.Compound.Names":"1h,1h,2h,2h-perfluorooctyl iodide|Dtxsid2047565","logHenry":-2.953,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.962,"logP.Reference":"EPA-CCD-OPERA","logPwa":-2.5,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.348,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.829,"MP.Reference":"EPA-CCD-OPERA","MW":474,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"2043-57-4"}
{"Compound":"N,n-dimethylacetoacetamide","CAS":"2044-64-6","CAS.Checksum":true,"DTXSID":"DTXSID8027454","Formula":"C6H11NO2","All.Compound.Names":"N,n-dimethylacetoacetamide|Dtxsid8027454|2044-64-6","logHenry":-6.168,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4045,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.851,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.02401,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.68,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2044-64-6"}
{"Compound":"Ethyltributylphosphonium diethylphosphate","CAS":"20445-94-7","CAS.Checksum":true,"DTXSID":"DTXSID4049244","Formula":"C18H42O4P2","All.Compound.Names":"Ethyltributylphosphonium diethylphosphate","MW":384.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20445-94-7"}
{"Compound":"N-(2,4-dimethylphenyl)acetamide","CAS":"2050-43-3","CAS.Checksum":true,"DTXSID":"DTXSID0044868","Formula":"C10H13NO","All.Compound.Names":"N-(2,4-dimethylphenyl)acetamide|Dtxsid0044868|2050-43-3","logHenry":-8.272,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.47,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.268,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.713,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.3,"MP.Reference":"EPA-CCD-OPERA","MW":163.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2050-43-3"}
{"Compound":"1,2-diethoxybenzene","CAS":"2050-46-6","CAS.Checksum":true,"DTXSID":"DTXSID6038798","Formula":"C10H14O2","All.Compound.Names":"1,2-diethoxybenzene|Dtxsid6038798","logHenry":-4.009,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.421,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.833,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.499,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.81,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2050-46-6"}
{"Compound":"Dibutyl ethanedioate","CAS":"2050-60-4","CAS.Checksum":true,"DTXSID":"DTXSID7041916","Formula":"C10H18O4","All.Compound.Names":"Dibutyl ethanedioate|Dtxsid7041916","logHenry":-6.727,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.478,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.267,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.021,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.01,"MP.Reference":"EPA-CCD-OPERA","MW":202.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2050-60-4"}
{"Compound":"Diallyl trisulfide","CAS":"2050-87-5","CAS.Checksum":true,"DTXSID":"DTXSID9045972","Formula":"C6H10S3","All.Compound.Names":"Diallyl trisulfide|Dtxsid9045972","logHenry":-2.994,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.077,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.887,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.574,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.54,"MP.Reference":"EPA-CCD-OPERA","MW":178.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2050-87-5"}
{"Compound":"N-pentylpentan-1-amine","CAS":"2050-92-2","CAS.Checksum":true,"DTXSID":"DTXSID4024931","Formula":"C10H23N","All.Compound.Names":"N-pentylpentan-1-amine|Dipentylamine|Dtxsid4024931|2050-92-2","logHenry":-4.529,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.097,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.406,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.599,"logWSol.Reference":"EPA-CCD-OPERA","MP":-34.48,"MP.Reference":"EPA-CCD-OPERA","MW":157.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2050-92-2"}
{"Compound":"5-nonanone, 2,8-dimethyl-","CAS":"2050-99-9","CAS.Checksum":true,"DTXSID":"DTXSID2041541","Formula":"C11H22O","All.Compound.Names":"5-nonanone, 2,8-dimethyl-|2,8-dimethylnonan-5-one|Dtxsid2041541","logHenry":-3.672,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.119,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.057,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.922,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.039,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2050-99-9"}
{"Compound":"4-chlorobiphenyl","CAS":"2051-62-9","CAS.Checksum":true,"DTXSID":"DTXSID3040300","Formula":"C12H9Cl","All.Compound.Names":"4-chlorobiphenyl|Dtxsid3040300","logHenry":-3.242,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.611,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.239,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.156,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.87,"MP.Reference":"EPA-CCD-OPERA","MW":188.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2051-62-9"}
{"Compound":"2-bromobiphenyl","CAS":"2052-07-5","CAS.Checksum":true,"DTXSID":"DTXSID0024638","Formula":"C12H9Br","All.Compound.Names":"2-bromobiphenyl|Dtxsid0024638","logHenry":-3.665,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.591,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.844,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.179,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.93,"MP.Reference":"EPA-CCD-OPERA","MW":233.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2052-07-5"}
{"Compound":"Butyl 4-oxopentanoate","CAS":"2052-15-5","CAS.Checksum":true,"DTXSID":"DTXSID3038800","Formula":"C9H16O3","All.Compound.Names":"Butyl 4-oxopentanoate|Dtxsid3038800","logHenry":-4.839,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.699,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.508,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.711,"logWSol.Reference":"EPA-CCD-OPERA","MP":-32.85,"MP.Reference":"EPA-CCD-OPERA","MW":172.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2052-15-5"}
{"Compound":"O6-methylguanine","CAS":"20535-83-5","CAS.Checksum":true,"DTXSID":"DTXSID9049405","Formula":"C6H7N5O","All.Compound.Names":"O6-methylguanine|Dtxsid9049405|20535-83-5","logHenry":-9.266,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3624,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.767,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.491,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.7,"MP.Reference":"EPA-CCD-OPERA","MW":165.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20535-83-5"}
{"Compound":"Amifostine","CAS":"20537-88-6","CAS.Checksum":true,"DTXSID":"DTXSID8022585","Formula":"C5H15N2O3PS","All.Compound.Names":"Amifostine|20537-88-6|Dtxsid8022585","logHenry":-8.014,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.09009,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.544,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.37,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.4,"MP.Reference":"EPA-CCD-OPERA","MW":214.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"20537-88-6"}
{"Compound":"Parthenolide","CAS":"20554-84-1","CAS.Checksum":true,"DTXSID":"DTXSID2040579","Formula":"C15H20O3","All.Compound.Names":"Parthenolide|Dtxsid2040579","logHenry":-5.872,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.916,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.011,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.368,"logWSol.Reference":"EPA-CCD-OPERA","MP":50.2,"MP.Reference":"EPA-CCD-OPERA","MW":248.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"9.12,4.05,20.5","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"20554-84-1"}
{"Compound":"Oxibendazole","CAS":"20559-55-1","CAS.Checksum":true,"DTXSID":"DTXSID5045625","Formula":"C12H15N3O3","All.Compound.Names":"Oxibendazole|Dtxsid5045625|20559-55-1","logHenry":-8.135,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.982,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.262,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.73,"logWSol.Reference":"EPA-CCD-OPERA","MP":229.9,"MP.Reference":"EPA-CCD-OPERA","MW":249.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.44","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20559-55-1"}
{"Compound":"Alpha-solanine","CAS":"20562-02-1","CAS.Checksum":true,"DTXSID":"DTXSID9030707","Formula":"C45H73NO15","All.Compound.Names":"Alpha-solanine|Dtxsid9030707|20562-02-1","logHenry":-11.73,"logHenry.Reference":"OPERA29","logP":1.11,"logP.Reference":"OPERA29","logWSol":-4.54,"logWSol.Reference":"OPERA29","MP":286,"MP.Reference":"OPERA29","MW":868.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20562-02-1"}
{"Compound":"4-(3-phenylpropyl)pyridine","CAS":"2057-49-0","CAS.Checksum":true,"DTXSID":"DTXSID5044869","Formula":"C14H15N","All.Compound.Names":"4-(3-phenylpropyl)pyridine|Dtxsid5044869|2057-49-0","logHenry":-3.915,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.245,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.212,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.175,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.6,"MP.Reference":"EPA-CCD-OPERA","MW":197.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2057-49-0"}
{"Compound":"Benzylhydrazine dihydrochloride","CAS":"20570-96-1","CAS.Checksum":true,"DTXSID":"DTXSID0020157","Formula":"C7H12Cl2N2","All.Compound.Names":"Benzylhydrazine dihydrochloride|Dtxsid0020157|20570-96-1","logHenry":-6.983,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7819,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.888,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9068,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.9,"MP.Reference":"EPA-CCD-OPERA","MW":195.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20570-96-1"}
{"Compound":"Clothiapine","CAS":"2058-52-8","CAS.Checksum":true,"DTXSID":"DTXSID5022851","Formula":"C18H18ClN3S","All.Compound.Names":"Clothiapine|Dtxsid5022851|2058-52-8","logHenry":-8.154,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.671,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.472,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.541,"logWSol.Reference":"EPA-CCD-OPERA","MP":119,"MP.Reference":"EPA-CCD-OPERA","MW":343.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2058-52-8"}
{"Compound":"Trifluperidol hydrochloride","CAS":"2062-77-3","CAS.Checksum":true,"DTXSID":"DTXSID2045810","Formula":"C22H24ClF4NO2","All.Compound.Names":"Trifluperidol hydrochloride|Dtxsid2045810","logHenry":-10.8,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.042,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.56,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.366,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.7,"MP.Reference":"EPA-CCD-OPERA","MW":445.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2062-77-3"}
{"Compound":"Pimozide","CAS":"2062-78-4","CAS.Checksum":true,"DTXSID":"DTXSID8023474","Formula":"C28H29F2N3O","All.Compound.Names":"Pimozide|1-(1-(4,4-bis(4-fluorophenyl)butyl)-4-piperidinyl)-1,3-dihydro-2h-benzimidazol-2-one|2062-78-4|Dtxsid8023474","logHenry":-7.972,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.3,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.89,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.66,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.9,"MP.Reference":"EPA-CCD-OPERA","MW":461.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"96.82","Human.Clint.Reference":"Dawson 2021","Human.Foral":0.4,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"2062-78-4"}
{"Compound":"Sodium diethyldithiocarbamate trihydrate","CAS":"20624-25-3","CAS.Checksum":true,"DTXSID":"DTXSID3021275","Formula":"C5H16NNaO3S2","All.Compound.Names":"Sodium diethyldithiocarbamate trihydrate|Dtxsid3021275|20624-25-3","logHenry":-8.007,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.248,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.255,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.49,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.55,"MP.Reference":"EPA-CCD-OPERA","MW":225.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20624-25-3"}
{"Compound":"Scandium chloride hexahydrate","CAS":"20662-14-0","CAS.Checksum":true,"DTXSID":"DTXSID1051850","Formula":"Cl3H12O6Sc","All.Compound.Names":"Scandium chloride hexahydrate","MW":259.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20662-14-0"}
{"Compound":"Benzimidazolone","CAS":"20662-53-7","CAS.Checksum":true,"DTXSID":"DTXSID0057679","Formula":"C12H15N3O","All.Compound.Names":"Benzimidazolone|Dtxsid0057679|20662-53-7","logHenry":-9.962,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.141,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.004,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.384,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.6,"MP.Reference":"EPA-CCD-OPERA","MW":217.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20662-53-7"}
{"Compound":"Vanillin isobutyrate","CAS":"20665-85-4","CAS.Checksum":true,"DTXSID":"DTXSID9047201","Formula":"C12H14O4","All.Compound.Names":"Vanillin isobutyrate|4-formyl-2-methoxyphenyl isobutyrate|Dtxsid9047201","logHenry":-8.404,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.242,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.988,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.649,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.87,"MP.Reference":"EPA-CCD-OPERA","MW":222.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20665-85-4"}
{"Compound":"Bamifylline hydrochloride","CAS":"20684-06-4","CAS.Checksum":true,"DTXSID":"DTXSID4048721","Formula":"C20H28ClN5O3","All.Compound.Names":"Bamifylline hydrochloride|Dtxsid4048721|20684-06-4","logHenry":-11.53,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.73,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.488,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.582,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.28,"MP.Reference":"EPA-CCD-OPERA","MW":421.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20684-06-4"}
{"Compound":"Benzo(k)fluoranthene","CAS":"207-08-9","CAS.Checksum":true,"DTXSID":"DTXSID0023909","Formula":"C20H12","All.Compound.Names":"Benzo(k)fluoranthene|Benzo[k]fluoranthene|Dtxsid0023909","logHenry":-6.232,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.109,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.275,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.491,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.8,"MP.Reference":"EPA-CCD-OPERA","MW":252.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"207-08-9"}
{"Compound":"Aminopentamide sulfate","CAS":"20701-77-3","CAS.Checksum":true,"DTXSID":"DTXSID7057604","Formula":"C19H26N2O5S","All.Compound.Names":"Aminopentamide sulfate|Dtxsid7057604|20701-77-3","logHenry":-9.55,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1028,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.7,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.375,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.4,"MP.Reference":"EPA-CCD-OPERA","MW":394.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20701-77-3"}
{"Compound":"Neohesperidin dihydrochalcone","CAS":"20702-77-6","CAS.Checksum":true,"DTXSID":"DTXSID3025706","Formula":"C28H36O15","All.Compound.Names":"Neohesperidin dihydrochalcone|Dtxsid3025706|20702-77-6","logHenry":-10.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1592,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.75,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.853,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.7,"MP.Reference":"EPA-CCD-OPERA","MW":612.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20702-77-6"}
{"Compound":"(z)-11-tetradecenyl acetate","CAS":"20711-10-8","CAS.Checksum":true,"DTXSID":"DTXSID3035266","Formula":"C16H30O2","All.Compound.Names":"(z)-11-tetradecenyl acetate|(z)-tetradec-11-enyl acetate|Dtxsid3035266","logHenry":-6.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.378,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.036,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.073,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.35,"MP.Reference":"EPA-CCD-OPERA","MW":254.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20711-10-8"}
{"Compound":"Sodium 2,3-dimercaptopropanesulfonate hydrate","CAS":"207233-91-8","CAS.Checksum":true,"DTXSID":"DTXSID9046607","Formula":"C3H9NaO4S3","All.Compound.Names":"Sodium 2,3-dimercaptopropanesulfonate hydrate|Dtxsid9046607|207233-91-8","logHenry":-5.919,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.08817,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.383,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8482,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.5,"MP.Reference":"EPA-CCD-OPERA","MW":228.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"207233-91-8"}
{"Compound":"8-hydroxyquinoline-5-sulfonic acid hydrate (1:x)","CAS":"207386-92-3","CAS.Checksum":true,"DTXSID":"DTXSID0044317","All.Compound.Names":"8-hydroxyquinoline-5-sulfonic acid hydrate (1:x)","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"207386-92-3"}
{"Compound":"1,5-naphthalenedisulfonic acid, disodium salt hydrate","CAS":"207569-02-6","CAS.Checksum":true,"DTXSID":"DTXSID0044315","Formula":"C10H8Na2O7S2","All.Compound.Names":"1,5-naphthalenedisulfonic acid, disodium salt hydrate|Dtxsid0044315|207569-02-6","logHenry":-6.404,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.779,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.345,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3616,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.3,"MP.Reference":"EPA-CCD-OPERA","MW":350.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"207569-02-6"}
{"Compound":"Pirlindole mesylate","CAS":"207572-66-5","CAS.Checksum":true,"DTXSID":"DTXSID6045660","Formula":"C16H22N2O3S","All.Compound.Names":"Pirlindole mesylate|Dtxsid6045660|207572-66-5","logHenry":-7.149,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1336,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.43,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.807,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.2,"MP.Reference":"EPA-CCD-OPERA","MW":322.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"207572-66-5"}
{"Compound":"Quinine hemisulfate salt monohydrate","CAS":"207671-44-1","CAS.Checksum":true,"DTXSID":"DTXSID0048979","Formula":"C40H54N4O10S","All.Compound.Names":"Quinine hemisulfate salt monohydrate|Dtxsid0048979|207671-44-1","logHenry":-8.574,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.15,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.77,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.009,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.7,"MP.Reference":"EPA-CCD-OPERA","MW":783,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"207671-44-1"}
{"Compound":"Ci-1029","CAS":"207736-05-8","CAS.Checksum":true,"DTXSID":"DTXSID8047262","Formula":"C28H37NO4S","All.Compound.Names":"Ci-1029|Dtxsid8047262|207736-05-8","logHenry":-10.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.655,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.029,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.031,"logWSol.Reference":"EPA-CCD-OPERA","MP":223.7,"MP.Reference":"EPA-CCD-OPERA","MW":483.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"207736-05-8"}
{"Compound":"3,7-dimethyloctan-3-yl acetate","CAS":"20780-48-7","CAS.Checksum":true,"DTXSID":"DTXSID5041487","Formula":"C12H24O2","All.Compound.Names":"3,7-dimethyloctan-3-yl acetate|Dtxsid5041487","logHenry":-3.688,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.714,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.063,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.115,"logWSol.Reference":"EPA-CCD-OPERA","MP":-43.04,"MP.Reference":"EPA-CCD-OPERA","MW":200.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20780-48-7"}
{"Compound":"Yohimbic acid monohydrate","CAS":"207801-27-2","CAS.Checksum":true,"DTXSID":"DTXSID7045578","Formula":"C20H26N2O4","All.Compound.Names":"Yohimbic acid monohydrate|Dtxsid7045578|207801-27-2","logHenry":-9.158,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7422,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.594,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.158,"logWSol.Reference":"EPA-CCD-OPERA","MP":225.9,"MP.Reference":"EPA-CCD-OPERA","MW":358.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.26","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"207801-27-2"}
{"Compound":"Mitiglinide calcium dihydrate","CAS":"207844-01-7","CAS.Checksum":true,"DTXSID":"DTXSID5046728","Formula":"C38H52CaN2O8","All.Compound.Names":"Mitiglinide calcium dihydrate|Dtxsid5046728|207844-01-7","logHenry":-8.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.576,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.2,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.982,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.4,"MP.Reference":"EPA-CCD-OPERA","MW":704.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"207844-01-7"}
{"Compound":"3-aminopropionitrile fumarate","CAS":"2079-89-2","CAS.Checksum":true,"DTXSID":"DTXSID0045751","Formula":"C10H16N4O4","All.Compound.Names":"3-aminopropionitrile fumarate|2079-89-2","logHenry":-13.15,"logHenry.Reference":"OPERA29","logP":-0.48,"logP.Reference":"OPERA29","logWSol":-1.21,"logWSol.Reference":"OPERA29","MP":131,"MP.Reference":"OPERA29","MW":256.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2079-89-2"}
{"Compound":"Butane-1,4-diyl bis(2-methylprop-2-enoate)","CAS":"2082-81-7","CAS.Checksum":true,"DTXSID":"DTXSID4044870","Formula":"C12H18O4","All.Compound.Names":"Butane-1,4-diyl bis(2-methylprop-2-enoate)|Dtxsid4044870","logHenry":-5.071,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.36,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.265,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.483,"logWSol.Reference":"EPA-CCD-OPERA","MP":223.8,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2082-81-7"}
{"Compound":"Nitrosoheptamethyleneimine","CAS":"20917-49-1","CAS.Checksum":true,"DTXSID":"DTXSID1021039","Formula":"C7H14N2O","All.Compound.Names":"Nitrosoheptamethyleneimine|Dtxsid1021039|20917-49-1","logHenry":-5.193,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.48,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.47,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.612,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.19,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20917-49-1"}
{"Compound":"1,1'-diazene-1,2-diyldicyclohexanecarbonitrile","CAS":"2094-98-6","CAS.Checksum":true,"DTXSID":"DTXSID9044613","Formula":"C14H20N4","All.Compound.Names":"1,1'-diazene-1,2-diyldicyclohexanecarbonitrile|Dtxsid9044613|2094-98-6","logHenry":-7.063,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.529,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.854,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.944,"logWSol.Reference":"EPA-CCD-OPERA","MP":116,"MP.Reference":"EPA-CCD-OPERA","MW":244.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2094-98-6"}
{"Compound":"1-(2-isocyanatopropan-2-yl)-3-(prop-1-en-2-yl)benzene","CAS":"2094-99-7","CAS.Checksum":true,"DTXSID":"DTXSID9044871","Formula":"C13H15NO","All.Compound.Names":"1-(2-isocyanatopropan-2-yl)-3-(prop-1-en-2-yl)benzene|Dtxsid9044871|2094-99-7","logHenry":-4.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.591,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.283,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.211,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.38,"MP.Reference":"EPA-CCD-OPERA","MW":201.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.52","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2094-99-7"}
{"Compound":"Bis[4-(glycidyloxy)phenyl]methane","CAS":"2095-03-6","CAS.Checksum":true,"DTXSID":"DTXSID4044872","Formula":"C19H20O4","All.Compound.Names":"Bis[4-(glycidyloxy)phenyl]methane|Dtxsid4044872","logHenry":-5.318,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.382,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.184,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.528,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.7,"MP.Reference":"EPA-CCD-OPERA","MW":312.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2095-03-6"}
{"Compound":"Cyproterone","CAS":"2098-66-0","CAS.Checksum":true,"DTXSID":"DTXSID3022873","Formula":"C22H27ClO3","All.Compound.Names":"Cyproterone|2098-66-0|Dtxsid3022873","logHenry":-7.154,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.01,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.46,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.138,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.3,"MP.Reference":"EPA-CCD-OPERA","MW":374.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"2098-66-0"}
{"Compound":"2-chloro-1,4-dimethoxybenzene","CAS":"2100-42-7","CAS.Checksum":true,"DTXSID":"DTXSID3041403","Formula":"C8H9ClO2","All.Compound.Names":"2-chloro-1,4-dimethoxybenzene|Dtxsid3041403","logHenry":-4.914,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.689,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.365,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.392,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.31,"MP.Reference":"EPA-CCD-OPERA","MW":172.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2100-42-7"}
{"Compound":"Gemifloxacin mesylate","CAS":"210353-53-0","CAS.Checksum":true,"DTXSID":"DTXSID7045948","Formula":"C19H24FN5O7S","All.Compound.Names":"Gemifloxacin mesylate|Dtxsid7045948|210353-53-0","logHenry":-9.383,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4996,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.042,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.223,"logWSol.Reference":"EPA-CCD-OPERA","MP":162,"MP.Reference":"EPA-CCD-OPERA","MW":485.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"210353-53-0"}
{"Compound":"2-amino-4-(p-nitrophenyl)thiazole","CAS":"2104-09-8","CAS.Checksum":true,"DTXSID":"DTXSID9039238","Formula":"C9H7N3O2S","All.Compound.Names":"2-amino-4-(p-nitrophenyl)thiazole|Dtxsid9039238|2104-09-8","logHenry":-7.327,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.378,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.391,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.306,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.4,"MP.Reference":"EPA-CCD-OPERA","MW":221.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2104-09-8"}
{"Compound":"Bromofos","CAS":"2104-96-3","CAS.Checksum":true,"DTXSID":"DTXSID1041683","Formula":"C8H8BrCl2O3PS","All.Compound.Names":"Bromofos|Dtxsid1041683","logHenry":-5.128,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.21,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.388,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.555,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.6,"MP.Reference":"EPA-CCD-OPERA","MW":366,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2104-96-3"}
{"Compound":"Fursultiamine hydrochloride","CAS":"2105-43-3","CAS.Checksum":true,"DTXSID":"DTXSID8048602","Formula":"C17H27ClN4O3S2","All.Compound.Names":"Fursultiamine hydrochloride|Dtxsid8048602|2105-43-3","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.03345,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.591,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.019,"logWSol.Reference":"EPA-CCD-OPERA","MP":165,"MP.Reference":"EPA-CCD-OPERA","MW":435,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2105-43-3"}
{"Compound":"Topramezone","CAS":"210631-68-8","CAS.Checksum":true,"DTXSID":"DTXSID0034722","Formula":"C16H17N3O5S","All.Compound.Names":"Topramezone|Dtxsid0034722|210631-68-8","logHenry":-9.2,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.296,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.355,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5652,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.4,"MP.Reference":"EPA-CCD-OPERA","MW":363.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"210631-68-8"}
{"Compound":"5,6-dimethoxy-1-indanone","CAS":"2107-69-9","CAS.Checksum":true,"DTXSID":"DTXSID9057680","Formula":"C11H12O3","All.Compound.Names":"5,6-dimethoxy-1-indanone|5,6-dimethoxyindan-1-one|Dtxsid9057680","logHenry":-7.937,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.862,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.044,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.972,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.33,"MP.Reference":"EPA-CCD-OPERA","MW":192.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2107-69-9"}
{"Compound":"5,7-dihydroxy-4-methylcoumarin","CAS":"2107-76-8","CAS.Checksum":true,"DTXSID":"DTXSID0025078","Formula":"C10H8O4","All.Compound.Names":"5,7-dihydroxy-4-methylcoumarin|Dtxsid0025078|2107-76-8","logHenry":-9.988,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.475,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.693,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.773,"logWSol.Reference":"EPA-CCD-OPERA","MP":260,"MP.Reference":"EPA-CCD-OPERA","MW":192.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2107-76-8"}
{"Compound":"Cp-456773","CAS":"210826-40-7","CAS.Checksum":true,"DTXSID":"DTXSID2047301","Formula":"C20H24N2O5S","All.Compound.Names":"Cp-456773|Dtxsid2047301|210826-40-7","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.665,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.7,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.769,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.8,"MP.Reference":"EPA-CCD-OPERA","MW":404.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"210826-40-7"}
{"Compound":"2-(3-phenylpropyl)pyridine","CAS":"2110-18-1","CAS.Checksum":true,"DTXSID":"DTXSID7042356","Formula":"C14H15N","All.Compound.Names":"2-(3-phenylpropyl)pyridine|Dtxsid7042356|2110-18-1","logHenry":-3.915,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.505,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.952,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.293,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.55,"MP.Reference":"EPA-CCD-OPERA","MW":197.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2110-18-1"}
{"Compound":"3-bromobiphenyl","CAS":"2113-57-7","CAS.Checksum":true,"DTXSID":"DTXSID5024639","Formula":"C12H9Br","All.Compound.Names":"3-bromobiphenyl|Dtxsid5024639","logHenry":-3.597,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.851,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.583,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.313,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.15,"MP.Reference":"EPA-CCD-OPERA","MW":233.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2113-57-7"}
{"Compound":"4-biphenylamine hydrochloride","CAS":"2113-61-3","CAS.Checksum":true,"DTXSID":"DTXSID0020072","Formula":"C12H12ClN","All.Compound.Names":"4-biphenylamine hydrochloride|Dtxsid0020072|2113-61-3","logHenry":-6.651,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4245,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.692,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.348,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.4,"MP.Reference":"EPA-CCD-OPERA","MW":205.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2113-61-3"}
{"Compound":"Allyl carbamate","CAS":"2114-11-6","CAS.Checksum":true,"DTXSID":"DTXSID1051856","Formula":"C4H7NO2","All.Compound.Names":"Allyl carbamate|Dtxsid1051856|2114-11-6","logHenry":-6.063,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.129,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.897,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1969,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.04,"MP.Reference":"EPA-CCD-OPERA","MW":101.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2114-11-6"}
{"Compound":"6-acetyl-1,1,2,4,4,7-hexamethyltetralin","CAS":"21145-77-7","CAS.Checksum":true,"DTXSID":"DTXSID7041544","Formula":"C18H26O","All.Compound.Names":"6-acetyl-1,1,2,4,4,7-hexamethyltetralin|Tonalide|Dtxsid7041544","logHenry":-4.318,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.699,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.228,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.315,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.86,"MP.Reference":"EPA-CCD-OPERA","MW":258.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21145-77-7"}
{"Compound":"Dabigatran etexilate","CAS":"211915-06-9","CAS.Checksum":true,"DTXSID":"DTXSID4057681","Formula":"C34H41N7O5","All.Compound.Names":"Dabigatran etexilate|Dtxsid4057681|211915-06-9","logHenry":-9.929,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.042,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.752,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.387,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.3,"MP.Reference":"EPA-CCD-OPERA","MW":627.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"211915-06-9"}
{"Compound":"Vatalanib dihydrochloride","CAS":"212141-51-0","CAS.Checksum":true,"DTXSID":"DTXSID5049073","Formula":"C20H17Cl3N4","All.Compound.Names":"Vatalanib dihydrochloride|Dtxsid5049073|212141-51-0","logHenry":-8.893,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6606,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.877,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.954,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.7,"MP.Reference":"EPA-CCD-OPERA","MW":419.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"212141-51-0"}
{"Compound":"Anacolin","CAS":"21216-78-4","CAS.Checksum":true,"DTXSID":"DTXSID8048781","Formula":"C22H28INO2","All.Compound.Names":"Anacolin|Dtxsid8048781|21216-78-4","logHenry":-6.055,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1446,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.98,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.376,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.4,"MP.Reference":"EPA-CCD-OPERA","MW":465.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21216-78-4"}
{"Compound":"Ethyl 1-naphthaleneacetate","CAS":"2122-70-5","CAS.Checksum":true,"DTXSID":"DTXSID3034583","Formula":"C14H14O2","All.Compound.Names":"Ethyl 1-naphthaleneacetate|Dtxsid3034583","logHenry":-6.758,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.434,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.946,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.958,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.7,"MP.Reference":"EPA-CCD-OPERA","MW":214.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2122-70-5"}
{"Compound":"5-(5-nitro-2-furyl)-1,3,4-oxadiazole-2-ol","CAS":"2122-86-3","CAS.Checksum":true,"DTXSID":"DTXSID5020948","Formula":"C6H3N3O5","All.Compound.Names":"5-(5-nitro-2-furyl)-1,3,4-oxadiazole-2-ol|Dtxsid5020948|2122-86-3","logHenry":-7.167,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9855,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.648,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.296,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.2,"MP.Reference":"EPA-CCD-OPERA","MW":197.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2122-86-3"}
{"Compound":"Flazalone","CAS":"21221-18-1","CAS.Checksum":true,"DTXSID":"DTXSID9046283","Formula":"C19H19F2NO2","All.Compound.Names":"Flazalone|Dtxsid9046283","logHenry":-8.184,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.968,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.179,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.183,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.4,"MP.Reference":"EPA-CCD-OPERA","MW":331.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21221-18-1"}
{"Compound":"Dorastine","CAS":"21228-13-7","CAS.Checksum":true,"DTXSID":"DTXSID9057682","Formula":"C20H22ClN3","All.Compound.Names":"Dorastine|Dtxsid9057682|21228-13-7","logHenry":-5.564,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.184,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.547,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.552,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.7,"MP.Reference":"EPA-CCD-OPERA","MW":339.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21228-13-7"}
{"Compound":"Padimate","CAS":"21245-01-2","CAS.Checksum":true,"DTXSID":"DTXSID3046580","Formula":"C14H21NO2","All.Compound.Names":"Padimate|Dtxsid3046580|21245-01-2","logHenry":-7.717,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.475,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.907,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.468,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.6,"MP.Reference":"EPA-CCD-OPERA","MW":235.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21245-01-2"}
{"Compound":"C.i. 1040","CAS":"212631-79-3","CAS.Checksum":true,"DTXSID":"DTXSID8048945","Formula":"C17H14ClF2IN2O2","All.Compound.Names":"C.i. 1040|Dtxsid8048945|212631-79-3","logHenry":-9.22,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.057,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.495,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.195,"logWSol.Reference":"EPA-CCD-OPERA","MP":184,"MP.Reference":"EPA-CCD-OPERA","MW":478.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"13.83","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"212631-79-3"}
{"Compound":"Chlorexolone","CAS":"2127-01-7","CAS.Checksum":true,"DTXSID":"DTXSID4057683","Formula":"C14H17ClN2O3S","All.Compound.Names":"Chlorexolone|Dtxsid4057683|2127-01-7","logHenry":-8.816,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.027,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.813,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.31,"logWSol.Reference":"EPA-CCD-OPERA","MP":266.9,"MP.Reference":"EPA-CCD-OPERA","MW":328.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2127-01-7"}
{"Compound":"2-[methacryloyloxy]ethyl acetoacetate","CAS":"21282-97-3","CAS.Checksum":true,"DTXSID":"DTXSID7041388","Formula":"C10H14O5","All.Compound.Names":"2-[methacryloyloxy]ethyl acetoacetate|2-((2-methyl-1-oxoallyl)oxy)ethyl acetoacetate|Dtxsid7041388|2-(methacryloyloxy)ethyl acetoacetate","logHenry":-6.653,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8473,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.267,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.02,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.76,"MP.Reference":"EPA-CCD-OPERA","MW":214.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21282-97-3"}
{"Compound":"(2e)-2,3-dibromo-2-butene-1,4-diol","CAS":"21285-46-1","CAS.Checksum":true,"DTXSID":"DTXSID3024942","Formula":"C4H6Br2O2","All.Compound.Names":"(2e)-2,3-dibromo-2-butene-1,4-diol|Dtxsid3024942|21285-46-1","logHenry":-8.372,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.009,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.833,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5389,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.2,"MP.Reference":"EPA-CCD-OPERA","MW":245.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21285-46-1"}
{"Compound":"N-acetyl sulfamethoxazole","CAS":"21312-10-7","CAS.Checksum":true,"DTXSID":"DTXSID8049044","Formula":"C12H13N3O4S","All.Compound.Names":"N-acetyl sulfamethoxazole|Dtxsid8049044|21312-10-7","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6032,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.701,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.384,"logWSol.Reference":"EPA-CCD-OPERA","MP":208.7,"MP.Reference":"EPA-CCD-OPERA","MW":295.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21312-10-7"}
{"Compound":"Orthosulfamuron","CAS":"213464-77-8","CAS.Checksum":true,"DTXSID":"DTXSID4034788","Formula":"C16H20N6O6S","All.Compound.Names":"Orthosulfamuron|Dtxsid4034788|213464-77-8","logHenry":-11.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.495,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.938,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.83,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.4,"MP.Reference":"EPA-CCD-OPERA","MW":424.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"213464-77-8"}
{"Compound":"Flumethasone","CAS":"2135-17-3","CAS.Checksum":true,"DTXSID":"DTXSID2045365","Formula":"C22H28F2O5","All.Compound.Names":"Flumethasone|Dtxsid2045365|2135-17-3","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.94,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.355,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.602,"logWSol.Reference":"EPA-CCD-OPERA","MP":229,"MP.Reference":"EPA-CCD-OPERA","MW":410.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2135-17-3"}
{"Compound":"Nifenazone","CAS":"2139-47-1","CAS.Checksum":true,"DTXSID":"DTXSID7045366","Formula":"C17H16N4O2","All.Compound.Names":"Nifenazone|Dtxsid7045366|2139-47-1","logHenry":-8.786,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.487,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.395,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.685,"logWSol.Reference":"EPA-CCD-OPERA","MP":252.7,"MP.Reference":"EPA-CCD-OPERA","MW":308.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2139-47-1"}
{"Compound":"25-hydroxycholesterol","CAS":"2140-46-7","CAS.Checksum":true,"DTXSID":"DTXSID5044023","Formula":"C27H46O2","All.Compound.Names":"25-hydroxycholesterol|Dtxsid5044023|2140-46-7","logHenry":-7.468,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.916,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.584,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.474,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.2,"MP.Reference":"EPA-CCD-OPERA","MW":402.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2140-46-7"}
{"Compound":"Icrf-159","CAS":"21416-67-1","CAS.Checksum":true,"DTXSID":"DTXSID0020733","Formula":"C11H16N4O4","All.Compound.Names":"Icrf-159|Razoxane|Dtxsid0020733|21416-67-1","logHenry":-10.37,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.345,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.74,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.719,"logWSol.Reference":"EPA-CCD-OPERA","MP":238,"MP.Reference":"EPA-CCD-OPERA","MW":268.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21416-67-1"}
{"Compound":"Capobenic acid","CAS":"21434-91-3","CAS.Checksum":true,"DTXSID":"DTXSID3045695","Formula":"C16H23NO6","All.Compound.Names":"Capobenic acid|Dtxsid3045695|21434-91-3","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.259,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.061,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.095,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.1,"MP.Reference":"EPA-CCD-OPERA","MW":325.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21434-91-3"}
{"Compound":"2,4-dimethylaniline hydrochloride","CAS":"21436-96-4","CAS.Checksum":true,"DTXSID":"DTXSID2021448","Formula":"C8H12ClN","All.Compound.Names":"2,4-dimethylaniline hydrochloride|Dtxsid2021448|21436-96-4","logHenry":-5.714,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7194,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.195,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.536,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.5,"MP.Reference":"EPA-CCD-OPERA","MW":157.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21436-96-4"}
{"Compound":"2,3,4-trihydroxybenzaldehyde","CAS":"2144-08-3","CAS.Checksum":true,"DTXSID":"DTXSID9057684","Formula":"C7H6O4","All.Compound.Names":"2,3,4-trihydroxybenzaldehyde|Dtxsid9057684|2144-08-3","logHenry":-9.136,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.613,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.278,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.466,"logWSol.Reference":"EPA-CCD-OPERA","MP":160,"MP.Reference":"EPA-CCD-OPERA","MW":154.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2144-08-3"}
{"Compound":"Brofoxine","CAS":"21440-97-1","CAS.Checksum":true,"DTXSID":"DTXSID4057685","Formula":"C10H10BrNO2","All.Compound.Names":"Brofoxine|Dtxsid4057685|21440-97-1","logHenry":-8.651,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.343,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.073,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.262,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.2,"MP.Reference":"EPA-CCD-OPERA","MW":256.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21440-97-1"}
{"Compound":"Cp-457677","CAS":"214535-77-0","CAS.Checksum":true,"DTXSID":"DTXSID2047278","Formula":"C22H21FN2O3","All.Compound.Names":"Cp-457677|Dtxsid2047278|214535-77-0","logHenry":-9.138,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.642,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.891,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.911,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.1,"MP.Reference":"EPA-CCD-OPERA","MW":380.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"214535-77-0"}
{"Compound":"Clindamycin hydrochloride","CAS":"21462-39-5","CAS.Checksum":true,"DTXSID":"DTXSID4045428","Formula":"C18H34Cl2N2O5S","All.Compound.Names":"Clindamycin hydrochloride|Dtxsid4045428|21462-39-5","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3134,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.118,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.136,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.1,"MP.Reference":"EPA-CCD-OPERA","MW":461.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21462-39-5"}
{"Compound":"Dibenz[a,c]anthracene","CAS":"215-58-7","CAS.Checksum":true,"DTXSID":"DTXSID9049245","Formula":"C22H14","All.Compound.Names":"Dibenz[a,c]anthracene|Dtxsid9049245","logHenry":-6.065,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.433,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.259,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.256,"logWSol.Reference":"EPA-CCD-OPERA","MP":271.5,"MP.Reference":"EPA-CCD-OPERA","MW":278.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"215-58-7"}
{"Compound":"Tenocyclidine","CAS":"21500-98-1","CAS.Checksum":true,"DTXSID":"DTXSID3046168","Formula":"C15H23NS","All.Compound.Names":"Tenocyclidine|Dtxsid3046168|21500-98-1","logHenry":-4.017,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.822,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.397,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.38,"logWSol.Reference":"EPA-CCD-OPERA","MP":33.36,"MP.Reference":"EPA-CCD-OPERA","MW":249.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21500-98-1"}
{"Compound":"Pemoline","CAS":"2152-34-3","CAS.Checksum":true,"DTXSID":"DTXSID3023427","Formula":"C9H8N2O2","All.Compound.Names":"Pemoline|Dtxsid3023427|2152-34-3","logHenry":-9.171,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4721,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.083,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.381,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.7,"MP.Reference":"EPA-CCD-OPERA","MW":176.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2152-34-3"}
{"Compound":"Betamethasone valerate","CAS":"2152-44-5","CAS.Checksum":true,"DTXSID":"DTXSID7022673","Formula":"C27H37FO6","All.Compound.Names":"Betamethasone valerate|Dtxsid7022673|2152-44-5","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.603,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.983,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.711,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.7,"MP.Reference":"EPA-CCD-OPERA","MW":476.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2152-44-5"}
{"Compound":"Uk-343664","CAS":"215297-27-1","CAS.Checksum":true,"DTXSID":"DTXSID1047289","Formula":"C28H35N7O4S","All.Compound.Names":"Uk-343664|Dtxsid1047289|215297-27-1","logHenry":-10.94,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.142,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.027,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.846,"logWSol.Reference":"EPA-CCD-OPERA","MP":247.4,"MP.Reference":"EPA-CCD-OPERA","MW":565.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"215297-27-1"}
{"Compound":"Methiuron","CAS":"21540-35-2","CAS.Checksum":true,"DTXSID":"DTXSID7042140","Formula":"C10H14N2S","All.Compound.Names":"Methiuron|Dtxsid7042140|21540-35-2","logHenry":-8.245,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.663,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.142,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.117,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.91,"MP.Reference":"EPA-CCD-OPERA","MW":194.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21540-35-2"}
{"Compound":"Tributyltin methacrylate","CAS":"2155-70-6","CAS.Checksum":true,"DTXSID":"DTXSID9035204","Formula":"C16H32O2Sn","All.Compound.Names":"Tributyltin methacrylate","MW":375.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2155-70-6"}
{"Compound":"Sodium dichloroacetate","CAS":"2156-56-1","CAS.Checksum":true,"DTXSID":"DTXSID8037207","Formula":"C2HCl2NaO2","All.Compound.Names":"Sodium dichloroacetate|Dtxsid8037207|2156-56-1","logHenry":-8.076,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5981,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.873,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8849,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.94,"MP.Reference":"EPA-CCD-OPERA","MW":150.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2156-56-1"}
{"Compound":"Decyl prop-2-enoate","CAS":"2156-96-9","CAS.Checksum":true,"DTXSID":"DTXSID9044873","Formula":"C13H24O2","All.Compound.Names":"Decyl prop-2-enoate|Dtxsid9044873","logHenry":-3.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.086,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.603,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.946,"logWSol.Reference":"EPA-CCD-OPERA","MP":-36.43,"MP.Reference":"EPA-CCD-OPERA","MW":212.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2156-96-9"}
{"Compound":"Etomidoline","CAS":"21590-92-1","CAS.Checksum":true,"DTXSID":"DTXSID4048800","Formula":"C23H29N3O2","All.Compound.Names":"Etomidoline|Dtxsid4048800|21590-92-1","logHenry":-7.088,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.538,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.743,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.042,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.6,"MP.Reference":"EPA-CCD-OPERA","MW":379.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21590-92-1"}
{"Compound":"2,2'-(tert-butylimino)diethanol","CAS":"2160-93-2","CAS.Checksum":true,"DTXSID":"DTXSID8029230","Formula":"C8H19NO2","All.Compound.Names":"2,2'-(tert-butylimino)diethanol|Tert-butyldiethanolamine|Dtxsid8029230|2160-93-2","logHenry":-8.526,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6462,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.003,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.638,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.85,"MP.Reference":"EPA-CCD-OPERA","MW":161.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2160-93-2"}
{"Compound":"Leptophos","CAS":"21609-90-5","CAS.Checksum":true,"DTXSID":"DTXSID3040279","Formula":"C13H10BrCl2O2PS","All.Compound.Names":"Leptophos|Dtxsid3040279","logHenry":-5.056,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.308,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.418,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.289,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.41,"MP.Reference":"EPA-CCD-OPERA","MW":412.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21609-90-5"}
{"Compound":"Diftalone","CAS":"21626-89-1","CAS.Checksum":true,"DTXSID":"DTXSID3020469","Formula":"C16H12N2O2","All.Compound.Names":"Diftalone|Dtxsid3020469|21626-89-1","logHenry":-8.441,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.319,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.484,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.993,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.1,"MP.Reference":"EPA-CCD-OPERA","MW":264.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21626-89-1"}
{"Compound":"1-methyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide","CAS":"216299-72-8","CAS.Checksum":true,"DTXSID":"DTXSID6047947","Formula":"C9H13F6N3O4S2","All.Compound.Names":"1-methyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide","MW":405.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"216299-72-8"}
{"Compound":"1,6-dichlorohexane","CAS":"2163-00-0","CAS.Checksum":true,"DTXSID":"DTXSID9044409","Formula":"C6H12Cl2","All.Compound.Names":"1,6-dichlorohexane|Dtxsid9044409","logHenry":-2.406,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.212,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2974,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.964,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.33,"MP.Reference":"EPA-CCD-OPERA","MW":155.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2163-00-0"}
{"Compound":"2-methylpropane-1,3-diol","CAS":"2163-42-0","CAS.Checksum":true,"DTXSID":"DTXSID3029231","Formula":"C4H10O2","All.Compound.Names":"2-methylpropane-1,3-diol|Dtxsid3029231|2163-42-0","logHenry":-7.124,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2336,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.65,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.056,"logWSol.Reference":"EPA-CCD-OPERA","MP":-90.23,"MP.Reference":"EPA-CCD-OPERA","MW":90.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2163-42-0"}
{"Compound":"1-methyl-3-propylimidazolium hexafluorophosphate","CAS":"216300-12-8","CAS.Checksum":true,"DTXSID":"DTXSID4049246","Formula":"C7H13F6N2P","All.Compound.Names":"1-methyl-3-propylimidazolium hexafluorophosphate|Dtxsid4049246|216300-12-8","logHenry":-2.053,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7158,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.608,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3461,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.6,"MP.Reference":"EPA-CCD-OPERA","MW":270.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"216300-12-8"}
{"Compound":"Chloranocryl","CAS":"2164-09-2","CAS.Checksum":true,"DTXSID":"DTXSID2020424","Formula":"C10H9Cl2NO","All.Compound.Names":"Chloranocryl|Dtxsid2020424|2164-09-2","logHenry":-8.34,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.575,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.082,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.426,"logWSol.Reference":"EPA-CCD-OPERA","MP":127.8,"MP.Reference":"EPA-CCD-OPERA","MW":230.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2164-09-2"}
{"Compound":"Guanoxan","CAS":"2165-19-7","CAS.Checksum":true,"DTXSID":"DTXSID3046166","Formula":"C10H13N3O2","All.Compound.Names":"Guanoxan|Dtxsid3046166|2165-19-7","logHenry":-9.526,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.01905,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.299,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.351,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.5,"MP.Reference":"EPA-CCD-OPERA","MW":207.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"19.5,8.65,43.9","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"2165-19-7"}
{"Compound":"(4z)-4-decenal","CAS":"21662-09-9","CAS.Checksum":true,"DTXSID":"DTXSID5041514","Formula":"C10H18O","All.Compound.Names":"(4z)-4-decenal|Dtxsid5041514","logHenry":-3.21,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.541,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.518,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.577,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.6685,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21662-09-9"}
{"Compound":"2,2-bis(tert-butylperoxy)butane","CAS":"2167-23-9","CAS.Checksum":true,"DTXSID":"DTXSID4044874","Formula":"C12H26O4","All.Compound.Names":"2,2-bis(tert-butylperoxy)butane|Dtxsid4044874","logHenry":-4.959,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.263,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.473,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.489,"logWSol.Reference":"EPA-CCD-OPERA","MP":-13.23,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2167-23-9"}
{"Compound":"Chromium(iii) acetylacetonate","CAS":"21679-31-2","CAS.Checksum":true,"DTXSID":"DTXSID0051863","Formula":"C15H21CrO6","All.Compound.Names":"Chromium(iii) acetylacetonate|Chromic acetylacetonate|Dtxsid0051863","logHenry":-5.772,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.783,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.797,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2201,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.9,"MP.Reference":"EPA-CCD-OPERA","MW":349.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21679-31-2"}
{"Compound":"6-azaribine","CAS":"2169-64-4","CAS.Checksum":true,"DTXSID":"DTXSID1022635","Formula":"C14H17N3O9","All.Compound.Names":"6-azaribine|Dtxsid1022635|2169-64-4","logHenry":-10.55,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2006,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.83,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.642,"logWSol.Reference":"EPA-CCD-OPERA","MP":100,"MP.Reference":"EPA-CCD-OPERA","MW":371.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2169-64-4"}
{"Compound":"Deptropine citrate","CAS":"2169-75-7","CAS.Checksum":true,"DTXSID":"DTXSID4045557","Formula":"C29H35NO8","All.Compound.Names":"Deptropine citrate|Dtxsid4045557|2169-75-7","logHenry":-6.056,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8369,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.1,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.577,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.8,"MP.Reference":"EPA-CCD-OPERA","MW":525.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2169-75-7"}
{"Compound":"Nitrefazole","CAS":"21721-92-6","CAS.Checksum":true,"DTXSID":"DTXSID2048826","Formula":"C10H8N4O4","All.Compound.Names":"Nitrefazole|Dtxsid2048826|21721-92-6","logHenry":-7.024,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.982,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.656,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.316,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.9,"MP.Reference":"EPA-CCD-OPERA","MW":248.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.32","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21721-92-6"}
{"Compound":"2-cyclohexylethyl acetate","CAS":"21722-83-8","CAS.Checksum":true,"DTXSID":"DTXSID3047188","Formula":"C10H18O2","All.Compound.Names":"2-cyclohexylethyl acetate|Dtxsid3047188","logHenry":-3.267,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.294,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.918,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.256,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.39,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21722-83-8"}
{"Compound":"Pentyl valerate","CAS":"2173-56-0","CAS.Checksum":true,"DTXSID":"DTXSID8042218","Formula":"C10H20O2","All.Compound.Names":"Pentyl valerate|Dtxsid8042218","logHenry":-3.553,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.829,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.235,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.301,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.14,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2173-56-0"}
{"Compound":"1h-tetrazol-1-acetic acid","CAS":"21732-17-2","CAS.Checksum":true,"DTXSID":"DTXSID9057686","Formula":"C3H4N4O2","All.Compound.Names":"1h-tetrazol-1-acetic acid|Dtxsid9057686|21732-17-2","logHenry":-8.619,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.009,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.822,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1877,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.8,"MP.Reference":"EPA-CCD-OPERA","MW":128.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21732-17-2"}
{"Compound":"Spectinomycin dihydrochloride","CAS":"21736-83-4","CAS.Checksum":true,"DTXSID":"DTXSID9045429","Formula":"C14H26Cl2N2O7","All.Compound.Names":"Spectinomycin dihydrochloride|Dtxsid9045429|21736-83-4","logHenry":-10.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.298,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.77,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.863,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.7,"MP.Reference":"EPA-CCD-OPERA","MW":405.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21736-83-4"}
{"Compound":"Oxamniquine","CAS":"21738-42-1","CAS.Checksum":true,"DTXSID":"DTXSID3023398","Formula":"C14H21N3O3","All.Compound.Names":"Oxamniquine|Dtxsid3023398|21738-42-1","logHenry":-8.749,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.241,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.977,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.966,"logWSol.Reference":"EPA-CCD-OPERA","MP":148,"MP.Reference":"EPA-CCD-OPERA","MW":279.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21738-42-1"}
{"Compound":"Cytembena","CAS":"21739-91-3","CAS.Checksum":true,"DTXSID":"DTXSID5020368","Formula":"C11H8BrNaO4","All.Compound.Names":"Cytembena|Dtxsid5020368|21739-91-3","logHenry":-8.275,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.672,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.423,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.3,"MP.Reference":"EPA-CCD-OPERA","MW":307.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21739-91-3"}
{"Compound":"Trolamine salicylate","CAS":"2174-16-5","CAS.Checksum":true,"DTXSID":"DTXSID4047969","Formula":"C13H21NO6","All.Compound.Names":"Trolamine salicylate|Dtxsid4047969|2174-16-5","logHenry":-7.056,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.795,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.648,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9697,"logWSol.Reference":"EPA-CCD-OPERA","MP":159,"MP.Reference":"EPA-CCD-OPERA","MW":287.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2174-16-5"}
{"Compound":"Flamenol","CAS":"2174-64-3","CAS.Checksum":true,"DTXSID":"DTXSID4046525","Formula":"C7H8O3","All.Compound.Names":"Flamenol|Dtxsid4046525|2174-64-3","logHenry":-6.645,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.067,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.79,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.321,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.4,"MP.Reference":"EPA-CCD-OPERA","MW":140.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2174-64-3"}
{"Compound":"Bencyclane","CAS":"2179-37-5","CAS.Checksum":true,"DTXSID":"DTXSID0022646","Formula":"C19H31NO","All.Compound.Names":"Bencyclane|2179-37-5|Dtxsid0022646","logHenry":-6.418,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.081,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.691,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.405,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.56,"MP.Reference":"EPA-CCD-OPERA","MW":289.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.51,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"2179-37-5"}
{"Compound":"Diallyl disulfide","CAS":"2179-57-9","CAS.Checksum":true,"DTXSID":"DTXSID9035206","Formula":"C6H10S2","All.Compound.Names":"Diallyl disulfide|Dtxsid9035206","logHenry":-3.007,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.767,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.088,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.89,"logWSol.Reference":"EPA-CCD-OPERA","MP":-50.77,"MP.Reference":"EPA-CCD-OPERA","MW":146.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2179-57-9"}
{"Compound":"Allyl propyl disulfide","CAS":"2179-59-1","CAS.Checksum":true,"DTXSID":"DTXSID8024448","Formula":"C6H12S2","All.Compound.Names":"Allyl propyl disulfide|Dtxsid8024448","logHenry":-2.795,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.937,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.056,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.954,"logWSol.Reference":"EPA-CCD-OPERA","MP":-48.41,"MP.Reference":"EPA-CCD-OPERA","MW":148.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2179-59-1"}
{"Compound":"Potassium 2,5-dihydroxybenzenesulfonate","CAS":"21799-87-1","CAS.Checksum":true,"DTXSID":"DTXSID8044410","Formula":"C6H5KO5S","All.Compound.Names":"Potassium 2,5-dihydroxybenzenesulfonate|Dtxsid8044410|21799-87-1","logHenry":-7.988,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.556,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.68,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.299,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.2,"MP.Reference":"EPA-CCD-OPERA","MW":228.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21799-87-1"}
{"Compound":"Chrysene","CAS":"218-01-9","CAS.Checksum":true,"DTXSID":"DTXSID0022432","Formula":"C18H12","All.Compound.Names":"Chrysene|Dtxsid0022432","logHenry":-5.277,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.809,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.562,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.86,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.5,"MP.Reference":"EPA-CCD-OPERA","MW":228.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"218-01-9"}
{"Compound":"Canrenoate potassium","CAS":"2181-04-6","CAS.Checksum":true,"DTXSID":"DTXSID2045602","Formula":"C22H29KO4","All.Compound.Names":"Canrenoate potassium|Potassium canrenoate|Dtxsid2045602|2181-04-6","logHenry":-9.21,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7516,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.671,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.37,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.7,"MP.Reference":"EPA-CCD-OPERA","MW":396.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2181-04-6"}
{"Compound":"1,2-dimethyl-3-propylimidazolium iodide","CAS":"218151-78-1","CAS.Checksum":true,"DTXSID":"DTXSID9049247","Formula":"C8H15IN2","All.Compound.Names":"1,2-dimethyl-3-propylimidazolium iodide|Dtxsid9049247|218151-78-1","logHenry":-2.098,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.58,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.591,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.444,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.6,"MP.Reference":"EPA-CCD-OPERA","MW":266.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"218151-78-1"}
{"Compound":"5-methyl-2-phenyl-2-hexenal","CAS":"21834-92-4","CAS.Checksum":true,"DTXSID":"DTXSID9047419","Formula":"C13H16O","All.Compound.Names":"5-methyl-2-phenyl-2-hexenal|Dtxsid9047419","logHenry":-4.07,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.034,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.657,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.439,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.39,"MP.Reference":"EPA-CCD-OPERA","MW":188.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21834-92-4"}
{"Compound":"Tetrabromobisphenol a-bis(2,3-dibromopropyl ether)","CAS":"21850-44-2","CAS.Checksum":true,"DTXSID":"DTXSID3032129","Formula":"C21H20Br8O2","All.Compound.Names":"Tetrabromobisphenol a-bis(2,3-dibromopropyl ether)|Dtxsid3032129","logHenry":-3.104,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.992,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.683,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.933,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.4,"MP.Reference":"EPA-CCD-OPERA","MW":943.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21850-44-2"}
{"Compound":"Bardoxolone methyl","CAS":"218600-53-4","CAS.Checksum":true,"DTXSID":"DTXSID5048764","Formula":"C32H43NO4","All.Compound.Names":"Bardoxolone methyl|Dtxsid5048764","logHenry":-7.552,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.723,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.956,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.701,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.1,"MP.Reference":"EPA-CCD-OPERA","MW":505.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"218600-53-4"}
{"Compound":"Pyrazinyl methyl sulfide","CAS":"21948-70-9","CAS.Checksum":true,"DTXSID":"DTXSID1047491","Formula":"C5H6N2S","All.Compound.Names":"Pyrazinyl methyl sulfide|Dtxsid1047491|21948-70-9","logHenry":-6.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.17,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.258,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5385,"logWSol.Reference":"EPA-CCD-OPERA","MP":66.02,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21948-70-9"}
{"Compound":"Sb281832","CAS":"219790-72-4","CAS.Checksum":true,"DTXSID":"DTXSID5047324","Formula":"C22H19FN4O3","All.Compound.Names":"Sb281832|Dtxsid5047324|219790-72-4","logHenry":-7.233,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.026,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.599,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.77,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.6,"MP.Reference":"EPA-CCD-OPERA","MW":406.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"219790-72-4"}
{"Compound":"N-phenyl-1,4-benzenediamine hydrochloride","CAS":"2198-59-6","CAS.Checksum":true,"DTXSID":"DTXSID9021132","Formula":"C12H13ClN2","All.Compound.Names":"N-phenyl-1,4-benzenediamine hydrochloride|Dtxsid9021132|2198-59-6","logHenry":-6.97,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9687,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.368,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.569,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.9,"MP.Reference":"EPA-CCD-OPERA","MW":220.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2198-59-6"}
{"Compound":"Escitalopram oxalate","CAS":"219861-08-2","CAS.Checksum":true,"DTXSID":"DTXSID1046003","Formula":"C22H23FN2O5","All.Compound.Names":"Escitalopram oxalate|Dtxsid1046003|219861-08-2","logHenry":-5.404,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2079,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.42,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.684,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.3,"MP.Reference":"EPA-CCD-OPERA","MW":414.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"219861-08-2"}
{"Compound":"1-dodecyl-3-methylimidazolium hexafluorophosphate","CAS":"219947-93-0","CAS.Checksum":true,"DTXSID":"DTXSID4047919","Formula":"C16H31F6N2P","All.Compound.Names":"1-dodecyl-3-methylimidazolium hexafluorophosphate|Dtxsid4047919|219947-93-0","logHenry":-5.592,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7096,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.246,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.408,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.6,"MP.Reference":"EPA-CCD-OPERA","MW":396.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"219947-93-0"}
{"Compound":"1-methyl-3-tetradecylimidazolium hexafluorophosphate","CAS":"219947-94-1","CAS.Checksum":true,"DTXSID":"DTXSID4049248","Formula":"C18H35F6N2P","All.Compound.Names":"1-methyl-3-tetradecylimidazolium hexafluorophosphate|Dtxsid4049248|219947-94-1","logHenry":-5.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.712,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.657,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.024,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.6,"MP.Reference":"EPA-CCD-OPERA","MW":424.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"219947-94-1"}
{"Compound":"1-hexadecyl-3-methylimidazolium hexafluorophosphate","CAS":"219947-95-2","CAS.Checksum":true,"DTXSID":"DTXSID9049249","Formula":"C20H39F6N2P","All.Compound.Names":"1-hexadecyl-3-methylimidazolium hexafluorophosphate|Dtxsid9049249|219947-95-2","logHenry":-6.005,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7154,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.867,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.095,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.6,"MP.Reference":"EPA-CCD-OPERA","MW":452.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"219947-95-2"}
{"Compound":"1-methyl-3-octadecylimidazolium hexafluorophosphate","CAS":"219947-96-3","CAS.Checksum":true,"DTXSID":"DTXSID8049250","Formula":"C22H43F6N2P","All.Compound.Names":"1-methyl-3-octadecylimidazolium hexafluorophosphate|Dtxsid8049250|219947-96-3","logHenry":-6.06,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7196,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.2,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.675,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.7,"MP.Reference":"EPA-CCD-OPERA","MW":480.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"219947-96-3"}
{"Compound":"Rolicyclidine","CAS":"2201-39-0","CAS.Checksum":true,"DTXSID":"DTXSID8046167","Formula":"C16H23N","All.Compound.Names":"Rolicyclidine|Dtxsid8046167|2201-39-0","logHenry":-4.456,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.826,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.666,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.767,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.9,"MP.Reference":"EPA-CCD-OPERA","MW":229.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2201-39-0"}
{"Compound":"Imatinib mesylate","CAS":"220127-57-1","CAS.Checksum":true,"DTXSID":"DTXSID9040502","Formula":"C30H35N7O4S","All.Compound.Names":"Imatinib mesylate|Dtxsid9040502|220127-57-1","logHenry":-9.127,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7259,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.014,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.318,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.3,"MP.Reference":"EPA-CCD-OPERA","MW":589.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"220127-57-1"}
{"Compound":"Acetylpyrazine","CAS":"22047-25-2","CAS.Checksum":true,"DTXSID":"DTXSID5047085","Formula":"C6H6N2O","All.Compound.Names":"Acetylpyrazine|Dtxsid5047085|22047-25-2","logHenry":-7.011,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.201,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.104,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2422,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.01,"MP.Reference":"EPA-CCD-OPERA","MW":122.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-1.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22047-25-2"}
{"Compound":"2-ethylhexyl octadecanoate","CAS":"22047-49-0","CAS.Checksum":true,"DTXSID":"DTXSID9047178","Formula":"C26H52O2","All.Compound.Names":"2-ethylhexyl octadecanoate|Dtxsid9047178","logHenry":-7.066,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.389,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.345,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.95,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.89,"MP.Reference":"EPA-CCD-OPERA","MW":396.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22047-49-0"}
{"Compound":"2-chloroethyl acrylate","CAS":"2206-89-5","CAS.Checksum":true,"DTXSID":"DTXSID8024783","Formula":"C5H7ClO2","All.Compound.Names":"2-chloroethyl acrylate|Dtxsid8024783","logHenry":-3.553,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.659,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.24,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7007,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.3,"MP.Reference":"EPA-CCD-OPERA","MW":134.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2206-89-5"}
{"Compound":"Potassium oxonate","CAS":"2207-75-2","CAS.Checksum":true,"DTXSID":"DTXSID5046568","Formula":"C4H2KN3O4","All.Compound.Names":"Potassium oxonate|Dtxsid5046568|2207-75-2","logHenry":-8.673,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.423,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.55,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.943,"logWSol.Reference":"EPA-CCD-OPERA","MP":310.8,"MP.Reference":"EPA-CCD-OPERA","MW":195.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.7","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"1.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2207-75-2"}
{"Compound":"Cp-457920","CAS":"220860-50-4","CAS.Checksum":true,"DTXSID":"DTXSID4047254","Formula":"C18H17N3O3","All.Compound.Names":"Cp-457920|Dtxsid4047254|220860-50-4","logHenry":-9.441,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.226,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.3,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.683,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.2,"MP.Reference":"EPA-CCD-OPERA","MW":323.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"220860-50-4"}
{"Compound":"Lumiracoxib","CAS":"220991-20-8","CAS.Checksum":true,"DTXSID":"DTXSID9049035","Formula":"C15H13ClFNO2","All.Compound.Names":"Lumiracoxib|220991-20-8|Dtxsid9049035","logHenry":-9.812,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.525,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.732,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.45,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.7,"MP.Reference":"EPA-CCD-OPERA","MW":293.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.74,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"220991-20-8"}
{"Compound":"N-isopropylacrylamide","CAS":"2210-25-5","CAS.Checksum":true,"DTXSID":"DTXSID0033754","Formula":"C6H11NO","All.Compound.Names":"N-isopropylacrylamide|Dtxsid0033754|2210-25-5","logHenry":-6.937,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4869,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.545,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4479,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.93,"MP.Reference":"EPA-CCD-OPERA","MW":113.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2210-25-5"}
{"Compound":"Pyrrocaine","CAS":"2210-77-7","CAS.Checksum":true,"DTXSID":"DTXSID9046150","Formula":"C14H20N2O","All.Compound.Names":"Pyrrocaine|Dtxsid9046150|2210-77-7","logHenry":-9.763,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.564,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.08,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.276,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.39,"MP.Reference":"EPA-CCD-OPERA","MW":232.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2210-77-7"}
{"Compound":"O-cresyl glycidyl ether","CAS":"2210-79-9","CAS.Checksum":true,"DTXSID":"DTXSID8024862","Formula":"C10H12O2","All.Compound.Names":"O-cresyl glycidyl ether|Dtxsid8024862","logHenry":-4.55,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.221,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.635,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.837,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.15,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2210-79-9"}
{"Compound":"Ethylammonium nitrate","CAS":"22113-86-6","CAS.Checksum":true,"DTXSID":"DTXSID0047901","Formula":"C2H8N2O3","All.Compound.Names":"Ethylammonium nitrate|22113-86-6","logHenry":-4.91,"logHenry.Reference":"OPERA29","logP":-0.13,"logP.Reference":"OPERA29","logWSol":1.35,"logWSol.Reference":"OPERA29","MP":-81,"MP.Reference":"OPERA29","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22113-86-6"}
{"Compound":"Methylammonium nitrate","CAS":"22113-87-7","CAS.Checksum":true,"DTXSID":"DTXSID3047924","Formula":"CH6N2O3","All.Compound.Names":"Methylammonium nitrate|22113-87-7","logHenry":-4.95,"logHenry.Reference":"OPERA29","logP":-0.57,"logP.Reference":"OPERA29","logWSol":1.54,"logWSol.Reference":"OPERA29","MP":53,"MP.Reference":"OPERA29","MW":94.07,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22113-87-7"}
{"Compound":"Propylammonium nitrate","CAS":"22113-88-8","CAS.Checksum":true,"DTXSID":"DTXSID8047927","Formula":"C3H10N2O3","All.Compound.Names":"Propylammonium nitrate|Dtxsid8047927|22113-88-8","logHenry":-4.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.359,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.435,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.228,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.48,"MP.Reference":"EPA-CCD-OPERA","MW":122.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22113-88-8"}
{"Compound":"2-{[2-(dimethylamino)ethyl](methyl)amino}ethanol","CAS":"2212-32-0","CAS.Checksum":true,"DTXSID":"DTXSID9044875","Formula":"C7H18N2O","All.Compound.Names":"2-{[2-(dimethylamino)ethyl](methyl)amino}ethanol|Dtxsid9044875|2212-32-0","logHenry":-8.458,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.04667,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.923,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8669,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.277,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2212-32-0"}
{"Compound":"Fandosentan potassium salt","CAS":"221246-12-4","CAS.Checksum":true,"DTXSID":"DTXSID5047249","Formula":"C25H17F3KNO6S","All.Compound.Names":"Fandosentan potassium salt|Dtxsid5047249|221246-12-4","logHenry":-9.488,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.156,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.097,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.363,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.2,"MP.Reference":"EPA-CCD-OPERA","MW":555.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"221246-12-4"}
{"Compound":"2,3-dichloroquinoxaline","CAS":"2213-63-0","CAS.Checksum":true,"DTXSID":"DTXSID1025013","Formula":"C8H4Cl2N2","All.Compound.Names":"2,3-dichloroquinoxaline|Dtxsid1025013|2213-63-0","logHenry":-5.975,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.602,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.276,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.177,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.9,"MP.Reference":"EPA-CCD-OPERA","MW":199,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2213-63-0"}
{"Compound":"Alclofenac","CAS":"22131-79-9","CAS.Checksum":true,"DTXSID":"DTXSID4020038","Formula":"C11H11ClO3","All.Compound.Names":"Alclofenac|Dtxsid4020038|22131-79-9","logHenry":-8.817,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.482,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.68,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.6,"MP.Reference":"EPA-CCD-OPERA","MW":226.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22131-79-9"}
{"Compound":"(1r,2s,5r)-(-)-menthol","CAS":"2216-51-5","CAS.Checksum":true,"DTXSID":"DTXSID1022180","Formula":"C10H20O","All.Compound.Names":"(1r,2s,5r)-(-)-menthol|Dtxsid1022180|2216-51-5","logHenry":-4.779,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.343,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.774,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.22,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2216-51-5"}
{"Compound":"Sr146131","CAS":"221671-62-1","CAS.Checksum":true,"DTXSID":"DTXSID6047369","Formula":"C34H37ClF3N3O7S","All.Compound.Names":"Sr146131|Sr146131 trifluoroacetate (1:1)|Dtxsid6047369|221671-62-1","logHenry":-10.97,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6788,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.074,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.873,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.1,"MP.Reference":"EPA-CCD-OPERA","MW":724.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"221671-62-1"}
{"Compound":"(1r)-endo-(+)-fenchyl alcohol","CAS":"2217-02-9","CAS.Checksum":true,"DTXSID":"DTXSID6044307","Formula":"C10H18O","All.Compound.Names":"(1r)-endo-(+)-fenchyl alcohol|Dtxsid6044307|2217-02-9","logHenry":-5.038,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.17,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.404,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.27,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.17,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2217-02-9"}
{"Compound":"Iodophthalein sodium","CAS":"2217-44-9","CAS.Checksum":true,"DTXSID":"DTXSID1046768","Formula":"C20H8I4Na2O4","All.Compound.Names":"Iodophthalein sodium|Dtxsid1046768|2217-44-9","logHenry":-4.657,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.627,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.994,"logWSol.Reference":"EPA-CCD-OPERA","MP":244.4,"MP.Reference":"EPA-CCD-OPERA","MW":865.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2217-44-9"}
{"Compound":"Phenol, 2-(1,1-dimethylethyl)-6-methyl-","CAS":"2219-82-1","CAS.Checksum":true,"DTXSID":"DTXSID4047468","Formula":"C11H16O","All.Compound.Names":"Phenol, 2-(1,1-dimethylethyl)-6-methyl-|2-tert-butyl-6-methylphenol|Dtxsid4047468|2219-82-1","logHenry":-6.185,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.483,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.23,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.48,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.48,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2219-82-1"}
{"Compound":"Guanadrel sulfate","CAS":"22195-34-2","CAS.Checksum":true,"DTXSID":"DTXSID8045432","Formula":"C20H40N6O8S","All.Compound.Names":"Guanadrel sulfate|Dtxsid8045432|22195-34-2","logHenry":-8.886,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4921,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.825,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.825,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.8,"MP.Reference":"EPA-CCD-OPERA","MW":524.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22195-34-2"}
{"Compound":"Sulfadiazine silver","CAS":"22199-08-2","CAS.Checksum":true,"DTXSID":"DTXSID4048646","Formula":"C10H9AgN4O2S","All.Compound.Names":"Sulfadiazine silver|Dtxsid4048646|22199-08-2","logHenry":-10.15,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.65,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.8,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.196,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.3,"MP.Reference":"EPA-CCD-OPERA","MW":357.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.9","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22199-08-2"}
{"Compound":"Lifibrate","CAS":"22204-91-7","CAS.Checksum":true,"DTXSID":"DTXSID1046217","Formula":"C20H21Cl2NO4","All.Compound.Names":"Lifibrate|Dtxsid1046217|22204-91-7","logHenry":-6.777,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.195,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.535,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.804,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.6,"MP.Reference":"EPA-CCD-OPERA","MW":410.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22204-91-7"}
{"Compound":"Carbimazole","CAS":"22232-54-8","CAS.Checksum":true,"DTXSID":"DTXSID9022736","Formula":"C7H10N2O2S","All.Compound.Names":"Carbimazole|22232-54-8|Dtxsid9022736","logHenry":-7.496,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.01164,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.691,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.388,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.3,"MP.Reference":"EPA-CCD-OPERA","MW":186.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"22232-54-8"}
{"Compound":"Ethylene glycol diglycidyl ether","CAS":"2224-15-9","CAS.Checksum":true,"DTXSID":"DTXSID4044876","Formula":"C8H14O4","All.Compound.Names":"Ethylene glycol diglycidyl ether|Dtxsid4044876","logHenry":-5.959,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.06989,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.267,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.409,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.168,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2224-15-9"}
{"Compound":"Triethanolamine laurate","CAS":"2224-49-9","CAS.Checksum":true,"DTXSID":"DTXSID8047183","Formula":"C18H39NO5","All.Compound.Names":"Triethanolamine laurate|Dtxsid8047183|2224-49-9","logHenry":-6.693,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7911,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.866,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.615,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.2,"MP.Reference":"EPA-CCD-OPERA","MW":349.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2224-49-9"}
{"Compound":"Z-tetrachlorvinphos","CAS":"22248-79-9","CAS.Checksum":true,"DTXSID":"DTXSID1032648","Formula":"C10H9Cl4O4P","All.Compound.Names":"Z-tetrachlorvinphos|Dtxsid1032648","logHenry":-8.191,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.531,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.218,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.514,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.16,"MP.Reference":"EPA-CCD-OPERA","MW":366,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22248-79-9"}
{"Compound":"7-aminodeacetoxycephalosporanic acid","CAS":"22252-43-3","CAS.Checksum":true,"DTXSID":"DTXSID4057687","Formula":"C8H10N2O3S","All.Compound.Names":"7-aminodeacetoxycephalosporanic acid|Dtxsid4057687|22252-43-3","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3671,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.739,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4777,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.3,"MP.Reference":"EPA-CCD-OPERA","MW":214.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22252-43-3"}
{"Compound":"Bornelone","CAS":"2226-11-1","CAS.Checksum":true,"DTXSID":"DTXSID9057688","Formula":"C14H20O","All.Compound.Names":"Bornelone|Dtxsid9057688","logHenry":-4.327,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.937,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.832,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.938,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.35,"MP.Reference":"EPA-CCD-OPERA","MW":204.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2226-11-1"}
{"Compound":"4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl","CAS":"2226-96-2","CAS.Checksum":true,"DTXSID":"DTXSID4041280","Formula":"C9H18NO2","All.Compound.Names":"4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl|4-hydroxy-tempo|Dtxsid4041280|2226-96-2","logHenry":-6.035,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8918,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.722,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.462,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.18,"MP.Reference":"EPA-CCD-OPERA","MW":172.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10.4","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"1,0.958,1","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"2226-96-2"}
{"Compound":"Tetrasul","CAS":"2227-13-6","CAS.Checksum":true,"DTXSID":"DTXSID5020314","Formula":"C12H6Cl4S","All.Compound.Names":"Tetrasul|Dtxsid5020314","logHenry":-4.078,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.672,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.516,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.033,"logWSol.Reference":"EPA-CCD-OPERA","MP":184,"MP.Reference":"EPA-CCD-OPERA","MW":324,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2227-13-6"}
{"Compound":"Thiocarbazide","CAS":"2231-57-4","CAS.Checksum":true,"DTXSID":"DTXSID7027461","Formula":"CH6N4S","All.Compound.Names":"Thiocarbazide|Dtxsid7027461|2231-57-4","logHenry":-8.264,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.048,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.739,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.277,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.2,"MP.Reference":"EPA-CCD-OPERA","MW":106.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2231-57-4"}
{"Compound":"R-(+)-secobarbital","CAS":"22328-94-5","CAS.Checksum":true,"DTXSID":"DTXSID2048874","Formula":"C12H18N2O3","All.Compound.Names":"R-(+)-secobarbital|Dtxsid2048874|22328-94-5","logHenry":-8.448,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.971,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.237,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.279,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.4,"MP.Reference":"EPA-CCD-OPERA","MW":238.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22328-94-5"}
{"Compound":"1-ethyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide","CAS":"223436-99-5","CAS.Checksum":true,"DTXSID":"DTXSID1047940","Formula":"C9H16F6N2O4S2","All.Compound.Names":"1-ethyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide","MW":394.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"223436-99-5"}
{"Compound":"1-methyl-1-propylpyrrolidinium bis(trifluoromethylsulfonyl)imide","CAS":"223437-05-6","CAS.Checksum":true,"DTXSID":"DTXSID1047942","Formula":"C10H18F6N2O4S2","All.Compound.Names":"1-methyl-1-propylpyrrolidinium bis(trifluoromethylsulfonyl)imide","MW":408.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"223437-05-6"}
{"Compound":"1-butyl-1-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide","CAS":"223437-11-4","CAS.Checksum":true,"DTXSID":"DTXSID9047968","Formula":"C11H20F6N2O4S2","All.Compound.Names":"1-butyl-1-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide","MW":422.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"223437-11-4"}
{"Compound":"Tofisopam","CAS":"22345-47-7","CAS.Checksum":true,"DTXSID":"DTXSID3023681","Formula":"C22H26N2O4","All.Compound.Names":"Tofisopam|Dtxsid3023681|22345-47-7","logHenry":-9.187,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.09,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.304,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.677,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.5,"MP.Reference":"EPA-CCD-OPERA","MW":382.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22345-47-7"}
{"Compound":"1-ethenylazepan-2-one","CAS":"2235-00-9","CAS.Checksum":true,"DTXSID":"DTXSID1041423","Formula":"C8H13NO","All.Compound.Names":"1-ethenylazepan-2-one|N-vinylcaprolactam|Dtxsid1041423|2235-00-9","logHenry":-7.335,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3491,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.534,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4519,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.28,"MP.Reference":"EPA-CCD-OPERA","MW":139.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2235-00-9"}
{"Compound":"[nitrilotris(methylene)]tris-phosphonic acid pentasodium salt","CAS":"2235-43-0","CAS.Checksum":true,"DTXSID":"DTXSID8029232","Formula":"C3H7NNa5O9P3","All.Compound.Names":"[nitrilotris(methylene)]tris-phosphonic acid pentasodium salt|Pentasodium nitrilotris(methylenephosphonate)|Dtxsid8029232|2235-43-0","logHenry":-10.8,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.581,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.1,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5238,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.2,"MP.Reference":"EPA-CCD-OPERA","MW":409,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2235-43-0"}
{"Compound":"Ammonium dodecyl sulfate","CAS":"2235-54-3","CAS.Checksum":true,"DTXSID":"DTXSID2027462","Formula":"C12H29NO4S","All.Compound.Names":"Ammonium dodecyl sulfate|Dtxsid2027462|2235-54-3","logHenry":-6.633,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.058,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.657,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.229,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.4,"MP.Reference":"EPA-CCD-OPERA","MW":283.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2235-54-3"}
{"Compound":"Etryptamine","CAS":"2235-90-7","CAS.Checksum":true,"DTXSID":"DTXSID1046764","Formula":"C12H16N2","All.Compound.Names":"Etryptamine|Dtxsid1046764|Alpha-ethyltryptamine|2235-90-7","logHenry":-7.133,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.054,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.136,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.568,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.05,"MP.Reference":"EPA-CCD-OPERA","MW":188.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2235-90-7"}
{"Compound":"Estriol tripropionate","CAS":"2236-31-9","CAS.Checksum":true,"DTXSID":"DTXSID4057689","Formula":"C27H36O6","All.Compound.Names":"Estriol tripropionate|Dtxsid4057689","logHenry":-7.202,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.613,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.074,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.704,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.6,"MP.Reference":"EPA-CCD-OPERA","MW":456.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2236-31-9"}
{"Compound":"Garenoxacin mesylate hydrate","CAS":"223652-90-2","CAS.Checksum":true,"DTXSID":"DTXSID4048644","Formula":"C24H26F2N2O8S","All.Compound.Names":"Garenoxacin mesylate hydrate|Dtxsid4048644|223652-90-2","logHenry":-8.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.02098,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.565,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.658,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.5,"MP.Reference":"EPA-CCD-OPERA","MW":540.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.18","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"223652-90-2"}
{"Compound":"Monensin sodium","CAS":"22373-78-0","CAS.Checksum":true,"DTXSID":"DTXSID2045573","Formula":"C36H61NaO11","All.Compound.Names":"Monensin sodium|Dtxsid2045573|22373-78-0","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.331,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.169,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.048,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.1,"MP.Reference":"EPA-CCD-OPERA","MW":692.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.12","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22373-78-0"}
{"Compound":"Hydroxystilbamidine bis(methanesulfonate)","CAS":"223769-64-0","CAS.Checksum":true,"DTXSID":"DTXSID7046592","Formula":"C18H24N4O7S2","All.Compound.Names":"Hydroxystilbamidine bis(methanesulfonate)|Dtxsid7046592|223769-64-0","logHenry":-8.928,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7335,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.735,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.085,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.5,"MP.Reference":"EPA-CCD-OPERA","MW":472.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"12.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"223769-64-0"}
{"Compound":"Indium(iii) phosphide","CAS":"22398-80-7","CAS.Checksum":true,"DTXSID":"DTXSID3031444","Formula":"InP","All.Compound.Names":"Indium(iii) phosphide|Indium phosphide","MW":145.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22398-80-7"}
{"Compound":"1,4-naphthalenediamine","CAS":"2243-61-0","CAS.Checksum":true,"DTXSID":"DTXSID6025696","Formula":"C10H10N2","All.Compound.Names":"1,4-naphthalenediamine|Dtxsid6025696|2243-61-0","logHenry":-7.168,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.324,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.795,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.58,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.1,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2243-61-0"}
{"Compound":"Alizarin yellow r","CAS":"2243-76-7","CAS.Checksum":true,"DTXSID":"DTXSID1033163","Formula":"C13H9N3O5","All.Compound.Names":"Alizarin yellow r|Dtxsid1033163|2243-76-7","logHenry":-9.345,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.259,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.134,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.042,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.1,"MP.Reference":"EPA-CCD-OPERA","MW":287.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2243-76-7"}
{"Compound":"D-carvone","CAS":"2244-16-8","CAS.Checksum":true,"DTXSID":"DTXSID8020256","Formula":"C10H14O","All.Compound.Names":"D-carvone|Dtxsid8020256","logHenry":-3.483,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.362,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.695,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.059,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.782,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2244-16-8"}
{"Compound":"Potassium dichloroisocyanurate","CAS":"2244-21-5","CAS.Checksum":true,"DTXSID":"DTXSID5026178","Formula":"C3Cl2KN3O3","All.Compound.Names":"Potassium dichloroisocyanurate|Dtxsid5026178|2244-21-5","logHenry":-8.425,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.504,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.3,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2846,"logWSol.Reference":"EPA-CCD-OPERA","MP":240,"MP.Reference":"EPA-CCD-OPERA","MW":236,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2244-21-5"}
{"Compound":"Benfotiamine","CAS":"22457-89-2","CAS.Checksum":true,"DTXSID":"DTXSID3045433","Formula":"C19H23N4O6PS","All.Compound.Names":"Benfotiamine|Dtxsid3045433|22457-89-2","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.197,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.575,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.6,"MP.Reference":"EPA-CCD-OPERA","MW":466.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22457-89-2"}
{"Compound":"Hydroxocobalamin acetate","CAS":"22465-48-1","CAS.Checksum":true,"DTXSID":"DTXSID8046901","Formula":"C64H92CoN13O16P","All.Compound.Names":"Hydroxocobalamin acetate","MW":1389,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22465-48-1"}
{"Compound":"Clodronic acid, disodium salt","CAS":"22560-50-5","CAS.Checksum":true,"DTXSID":"DTXSID3045225","Formula":"CH2Cl2Na2O6P2","All.Compound.Names":"Clodronic acid, disodium salt|Clodronic acid disodium salt|Dtxsid3045225|22560-50-5","logHenry":-8.032,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3449,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.727,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7332,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.9,"MP.Reference":"EPA-CCD-OPERA","MW":288.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22560-50-5"}
{"Compound":"Phenethyl isothiocyanate","CAS":"2257-09-2","CAS.Checksum":true,"DTXSID":"DTXSID5021120","Formula":"C9H9NS","All.Compound.Names":"Phenethyl isothiocyanate|(2-isothiocyanatoethyl)benzene|Dtxsid5021120|2257-09-2","logHenry":-3.914,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.468,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9739,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.173,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.53,"MP.Reference":"EPA-CCD-OPERA","MW":163.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2257-09-2"}
{"Compound":"Decanohydroxamic acid","CAS":"2259-85-0","CAS.Checksum":true,"DTXSID":"DTXSID7046883","Formula":"C10H21NO2","All.Compound.Names":"Decanohydroxamic acid|Dtxsid7046883","logHenry":-8.708,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.169,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.786,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.831,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.63,"MP.Reference":"EPA-CCD-OPERA","MW":187.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2259-85-0"}
{"Compound":"Cyclothiazide","CAS":"2259-96-3","CAS.Checksum":true,"DTXSID":"DTXSID3022871","Formula":"C14H16ClN3O4S2","All.Compound.Names":"Cyclothiazide|Dtxsid3022871|2259-96-3","logHenry":-10.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.948,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.325,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.299,"logWSol.Reference":"EPA-CCD-OPERA","MP":234,"MP.Reference":"EPA-CCD-OPERA","MW":389.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2259-96-3"}
{"Compound":"1,1-dichloro-3,3-dimethylbutan-2-one","CAS":"22591-21-5","CAS.Checksum":true,"DTXSID":"DTXSID8027822","Formula":"C6H10Cl2O","All.Compound.Names":"1,1-dichloro-3,3-dimethylbutan-2-one|Dichloropinacolin|Dtxsid8027822","logHenry":-4.51,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.995,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.53,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.318,"logWSol.Reference":"EPA-CCD-OPERA","MP":-79.2,"MP.Reference":"EPA-CCD-OPERA","MW":169,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22591-21-5"}
{"Compound":"Tridec-2-enenitrile","CAS":"22629-49-8","CAS.Checksum":true,"DTXSID":"DTXSID5047667","Formula":"C13H23N","All.Compound.Names":"Tridec-2-enenitrile|2-tridecenenitrile|Dtxsid5047667","logHenry":-4.326,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.69,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.216,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.929,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.515,"MP.Reference":"EPA-CCD-OPERA","MW":193.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22629-49-8"}
{"Compound":"Dexamethasone isonicotinate","CAS":"2265-64-7","CAS.Checksum":true,"DTXSID":"DTXSID3057690","Formula":"C28H32FNO6","All.Compound.Names":"Dexamethasone isonicotinate|Dtxsid3057690|2265-64-7","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.292,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.345,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.817,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.8,"MP.Reference":"EPA-CCD-OPERA","MW":497.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2265-64-7"}
{"Compound":"Amoproxan","CAS":"22661-76-3","CAS.Checksum":true,"DTXSID":"DTXSID6048838","Formula":"C22H35NO7","All.Compound.Names":"Amoproxan|Dtxsid6048838|22661-76-3","logHenry":-7.836,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9049,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.82,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.134,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.3,"MP.Reference":"EPA-CCD-OPERA","MW":425.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22661-76-3"}
{"Compound":"Rafoxanide","CAS":"22662-39-1","CAS.Checksum":true,"DTXSID":"DTXSID5046227","Formula":"C19H11Cl2I2NO3","All.Compound.Names":"Rafoxanide|Dtxsid5046227|22662-39-1","logHenry":-7.518,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.531,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.131,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.984,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.1,"MP.Reference":"EPA-CCD-OPERA","MW":626,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22662-39-1"}
{"Compound":"1-(4-chlorobenzenesulfonyl)urea","CAS":"22663-37-2","CAS.Checksum":true,"DTXSID":"DTXSID8057691","Formula":"C7H7ClN2O3S","All.Compound.Names":"1-(4-chlorobenzenesulfonyl)urea|Dtxsid8057691|22663-37-2","logHenry":-8.149,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1979,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.157,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.415,"logWSol.Reference":"EPA-CCD-OPERA","MP":180,"MP.Reference":"EPA-CCD-OPERA","MW":234.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22663-37-2"}
{"Compound":"Metipranolol","CAS":"22664-55-7","CAS.Checksum":true,"DTXSID":"DTXSID4046078","Formula":"C17H27NO4","All.Compound.Names":"Metipranolol|Dtxsid4046078|22664-55-7","logHenry":-8.898,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.658,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.471,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.61,"logWSol.Reference":"EPA-CCD-OPERA","MP":106,"MP.Reference":"EPA-CCD-OPERA","MW":309.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22664-55-7"}
{"Compound":"Etandazole","CAS":"22668-01-5","CAS.Checksum":true,"DTXSID":"DTXSID8045434","Formula":"C7H10N4O4","All.Compound.Names":"Etandazole|Dtxsid8045434|22668-01-5","logHenry":-8.886,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.34,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.702,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.425,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.7,"MP.Reference":"EPA-CCD-OPERA","MW":214.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.49","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22668-01-5"}
{"Compound":"Fosamprenavir calcium","CAS":"226700-81-8","CAS.Checksum":true,"DTXSID":"DTXSID0046777","Formula":"C25H34CaN3O9PS","All.Compound.Names":"Fosamprenavir calcium|Dtxsid0046777|226700-81-8","logHenry":-10.94,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.395,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.104,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.712,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.8,"MP.Reference":"EPA-CCD-OPERA","MW":623.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"226700-81-8"}
{"Compound":"2,4,5-trimethyl-3-oxazoline","CAS":"22694-96-8","CAS.Checksum":true,"DTXSID":"DTXSID8047133","Formula":"C6H11NO","All.Compound.Names":"2,4,5-trimethyl-3-oxazoline|Dtxsid8047133|22694-96-8","logHenry":-3.707,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6744,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.474,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.02503,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.48,"MP.Reference":"EPA-CCD-OPERA","MW":113.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22694-96-8"}
{"Compound":"Methyl citronellate","CAS":"2270-60-2","CAS.Checksum":true,"DTXSID":"DTXSID0047408","Formula":"C11H20O2","All.Compound.Names":"Methyl citronellate|Methyl 3,7-dimethyloct-6-enoate|Dtxsid0047408","logHenry":-3.681,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.155,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.109,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.3,"logWSol.Reference":"EPA-CCD-OPERA","MP":-49.24,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2270-60-2"}
{"Compound":"2-acetylbenzo[b]thiophene","CAS":"22720-75-8","CAS.Checksum":true,"DTXSID":"DTXSID3057692","Formula":"C10H8OS","All.Compound.Names":"2-acetylbenzo[b]thiophene|Dtxsid3057692","logHenry":-5.743,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.906,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.998,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.167,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.06,"MP.Reference":"EPA-CCD-OPERA","MW":176.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22720-75-8"}
{"Compound":"Siccanin","CAS":"22733-60-4","CAS.Checksum":true,"DTXSID":"DTXSID1046843","Formula":"C22H30O3","All.Compound.Names":"Siccanin|Dtxsid1046843|22733-60-4","logHenry":-7.151,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.301,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.304,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.612,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.9,"MP.Reference":"EPA-CCD-OPERA","MW":342.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22733-60-4"}
{"Compound":"Ethylene acrylate","CAS":"2274-11-5","CAS.Checksum":true,"DTXSID":"DTXSID9044615","Formula":"C8H10O4","All.Compound.Names":"Ethylene acrylate|Dtxsid9044615","logHenry":-5.338,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.301,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.019,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7092,"logWSol.Reference":"EPA-CCD-OPERA","MP":7.034,"MP.Reference":"EPA-CCD-OPERA","MW":170.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2274-11-5"}
{"Compound":"Phenkapton","CAS":"2275-14-1","CAS.Checksum":true,"DTXSID":"DTXSID3042269","Formula":"C11H15Cl2O2PS3","All.Compound.Names":"Phenkapton|Dtxsid3042269","logHenry":-5.045,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.442,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.304,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.929,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.72,"MP.Reference":"EPA-CCD-OPERA","MW":377.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2275-14-1"}
{"Compound":"1-butyl-2,3-dimethylimidazolium hexafluorophosphate","CAS":"227617-70-1","CAS.Checksum":true,"DTXSID":"DTXSID0047907","Formula":"C9H17F6N2P","All.Compound.Names":"1-butyl-2,3-dimethylimidazolium hexafluorophosphate|Dtxsid0047907|227617-70-1","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7097,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.074,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.848,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.5,"MP.Reference":"EPA-CCD-OPERA","MW":298.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"227617-70-1"}
{"Compound":"Aspartame","CAS":"22839-47-0","CAS.Checksum":true,"DTXSID":"DTXSID0020107","Formula":"C14H18N2O5","All.Compound.Names":"Aspartame|Dtxsid0020107|22839-47-0","logHenry":-10.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.205,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.45,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.972,"logWSol.Reference":"EPA-CCD-OPERA","MP":246.4,"MP.Reference":"EPA-CCD-OPERA","MW":294.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22839-47-0"}
{"Compound":"Famprofazone","CAS":"22881-35-2","CAS.Checksum":true,"DTXSID":"DTXSID3045435","Formula":"C24H31N3O","All.Compound.Names":"Famprofazone|Dtxsid3045435|22881-35-2","logHenry":-7.363,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.357,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.413,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.816,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.7,"MP.Reference":"EPA-CCD-OPERA","MW":377.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22881-35-2"}
{"Compound":"Silybin","CAS":"22888-70-6","CAS.Checksum":true,"DTXSID":"DTXSID8026018","Formula":"C25H22O10","All.Compound.Names":"Silybin|Dtxsid8026018|22888-70-6","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.505,"logP.Reference":"EPA-CCD-OPERA","logPwa":7,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.313,"logWSol.Reference":"EPA-CCD-OPERA","MP":238.1,"MP.Reference":"EPA-CCD-OPERA","MW":482.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22888-70-6"}
{"Compound":"Hexane-1,6-diyl dibenzoate","CAS":"22915-73-7","CAS.Checksum":true,"DTXSID":"DTXSID0047539","Formula":"C20H22O4","All.Compound.Names":"Hexane-1,6-diyl dibenzoate|Dtxsid0047539","logHenry":-6.707,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.866,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.719,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.895,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.66,"MP.Reference":"EPA-CCD-OPERA","MW":326.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22915-73-7"}
{"Compound":"Dimethametryn","CAS":"22936-75-0","CAS.Checksum":true,"DTXSID":"DTXSID3041873","Formula":"C11H21N5S","All.Compound.Names":"Dimethametryn|Dtxsid3041873|22936-75-0","logHenry":-8.407,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.899,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.286,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.713,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.34,"MP.Reference":"EPA-CCD-OPERA","MW":255.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22936-75-0"}
{"Compound":"Flopropione","CAS":"2295-58-1","CAS.Checksum":true,"DTXSID":"DTXSID3045851","Formula":"C9H10O4","All.Compound.Names":"Flopropione|Dtxsid3045851|2295-58-1","logHenry":-8.334,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.601,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.523,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.351,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.5,"MP.Reference":"EPA-CCD-OPERA","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2295-58-1"}
{"Compound":"2-chloro-5-nitro-n-phenylbenzamide","CAS":"22978-25-2","CAS.Checksum":true,"DTXSID":"DTXSID8040723","Formula":"C13H9ClN2O3","All.Compound.Names":"2-chloro-5-nitro-n-phenylbenzamide|Dtxsid8040723|22978-25-2","logHenry":-8.464,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.023,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.302,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.89,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.1,"MP.Reference":"EPA-CCD-OPERA","MW":276.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22978-25-2"}
{"Compound":"2-butanone, o,o',o''-(methylsilylidyne)trioxime","CAS":"22984-54-9","CAS.Checksum":true,"DTXSID":"DTXSID3027823","Formula":"C13H27N3O3Si","All.Compound.Names":"2-butanone, o,o',o''-(methylsilylidyne)trioxime|Methyltri(2-butanoneoximyl)silane|Dtxsid3027823|22984-54-9","logHenry":-8.532,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.637,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.106,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.281,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.96,"MP.Reference":"EPA-CCD-OPERA","MW":301.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22984-54-9"}
{"Compound":"N-(3-aminophenyl)propanamide","CAS":"22987-10-6","CAS.Checksum":true,"DTXSID":"DTXSID9044877","Formula":"C9H12N2O","All.Compound.Names":"N-(3-aminophenyl)propanamide|Dtxsid9044877|22987-10-6","logHenry":-9.073,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4865,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.638,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.609,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.3,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22987-10-6"}
{"Compound":"Benznidazole","CAS":"22994-85-0","CAS.Checksum":true,"DTXSID":"DTXSID9046570","Formula":"C12H12N4O3","All.Compound.Names":"Benznidazole|Dtxsid9046570|22994-85-0","logHenry":-8.356,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9104,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.812,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.9,"MP.Reference":"EPA-CCD-OPERA","MW":260.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22994-85-0"}
{"Compound":"Diallate","CAS":"2303-16-4","CAS.Checksum":true,"DTXSID":"DTXSID2020391","Formula":"C10H17Cl2NOS","All.Compound.Names":"Diallate|Dtxsid2020391|2303-16-4","logHenry":-5.185,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.488,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.721,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.234,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.02,"MP.Reference":"EPA-CCD-OPERA","MW":270.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2303-16-4"}
{"Compound":"Terbutaline hemisulfate","CAS":"23031-32-5","CAS.Checksum":true,"DTXSID":"DTXSID3045437","Formula":"C24H40N2O10S","All.Compound.Names":"Terbutaline hemisulfate|Dtxsid3045437|23031-32-5","logHenry":-10.46,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4392,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.967,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.334,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.6,"MP.Reference":"EPA-CCD-OPERA","MW":548.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23031-32-5"}
{"Compound":"Prallethrin","CAS":"23031-36-9","CAS.Checksum":true,"DTXSID":"DTXSID0032572","Formula":"C19H24O3","All.Compound.Names":"Prallethrin|Dtxsid0032572","logHenry":-4.877,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.49,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.408,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.575,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.38,"MP.Reference":"EPA-CCD-OPERA","MW":300.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23031-36-9"}
{"Compound":"Tetrabutylphosphonium chloride","CAS":"2304-30-5","CAS.Checksum":true,"DTXSID":"DTXSID4044616","Formula":"C16H36ClP","All.Compound.Names":"Tetrabutylphosphonium chloride","logHenry":-1.584,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.143,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.698,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.387,"logWSol.Reference":"EPA-CCD-OPERA","MP":7.273,"MP.Reference":"EPA-CCD-OPERA","MW":294.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2304-30-5"}
{"Compound":"Enfenamic acid","CAS":"23049-93-6","CAS.Checksum":true,"DTXSID":"DTXSID8057693","Formula":"C15H15NO2","All.Compound.Names":"Enfenamic acid|Dtxsid8057693|23049-93-6","logHenry":-9.725,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.839,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.223,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.389,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.1,"MP.Reference":"EPA-CCD-OPERA","MW":241.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23049-93-6"}
{"Compound":"Gamma-dodecalactone","CAS":"2305-05-7","CAS.Checksum":true,"DTXSID":"DTXSID7047190","Formula":"C12H22O2","All.Compound.Names":"Gamma-dodecalactone|Dtxsid7047190","logHenry":-6.659,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.533,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.724,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.118,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.638,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2305-05-7"}
{"Compound":"Varenicline dihydrochloride","CAS":"230615-23-3","CAS.Checksum":true,"DTXSID":"DTXSID8048941","Formula":"C13H14ClN3","All.Compound.Names":"Varenicline dihydrochloride|Dtxsid8048941|230615-23-3","logHenry":-6.837,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.101,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.74,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.272,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.7,"MP.Reference":"EPA-CCD-OPERA","MW":247.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"230615-23-3"}
{"Compound":"Levomenol","CAS":"23089-26-1","CAS.Checksum":true,"DTXSID":"DTXSID4042094","Formula":"C15H26O","All.Compound.Names":"Levomenol|Dtxsid4042094|23089-26-1","logHenry":-6.006,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.721,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.206,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.729,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.39,"MP.Reference":"EPA-CCD-OPERA","MW":222.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23089-26-1"}
{"Compound":"Fumagillin","CAS":"23110-15-8","CAS.Checksum":true,"DTXSID":"DTXSID7040736","Formula":"C26H34O7","All.Compound.Names":"Fumagillin|Dtxsid7040736|23110-15-8","logHenry":-7.319,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.367,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.933,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.818,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.4,"MP.Reference":"EPA-CCD-OPERA","MW":458.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23110-15-8"}
{"Compound":"N-benzyl-9-(tetrahydro-2h-pyran-2-yl)adenine","CAS":"2312-73-4","CAS.Checksum":true,"DTXSID":"DTXSID8038801","Formula":"C17H19N5O","All.Compound.Names":"N-benzyl-9-(tetrahydro-2h-pyran-2-yl)adenine|Dtxsid8038801|2312-73-4","logHenry":-8.543,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.939,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.481,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.046,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.1,"MP.Reference":"EPA-CCD-OPERA","MW":309.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2312-73-4"}
{"Compound":"Lapatinib","CAS":"231277-92-2","CAS.Checksum":true,"DTXSID":"DTXSID7046675","Formula":"C29H26ClFN4O4S","All.Compound.Names":"Lapatinib|231277-92-2|Dtxsid7046675","logHenry":-8.795,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.663,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.078,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.751,"logWSol.Reference":"EPA-CCD-OPERA","MP":208.6,"MP.Reference":"EPA-CCD-OPERA","MW":581.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"231277-92-2"}
{"Compound":"Antioxidant 1098","CAS":"23128-74-7","CAS.Checksum":true,"DTXSID":"DTXSID5044233","Formula":"C40H64N2O4","All.Compound.Names":"Antioxidant 1098|Dtxsid5044233","logHenry":-7.583,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.001,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5288,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.755,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.2,"MP.Reference":"EPA-CCD-OPERA","MW":637,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23128-74-7"}
{"Compound":"Propyl benzoate","CAS":"2315-68-6","CAS.Checksum":true,"DTXSID":"DTXSID4044878","Formula":"C10H12O2","All.Compound.Names":"Propyl benzoate|Dtxsid4044878","logHenry":-3.921,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.005,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.226,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.667,"logWSol.Reference":"EPA-CCD-OPERA","MP":-49.06,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2315-68-6"}
{"Compound":"Virginiamycin s1","CAS":"23152-29-6","CAS.Checksum":true,"DTXSID":"DTXSID0046856","Formula":"C43H49N7O10","All.Compound.Names":"Virginiamycin s1|Dtxsid0046856|23152-29-6","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.477,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.136,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.77,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.1,"MP.Reference":"EPA-CCD-OPERA","MW":823.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23152-29-6"}
{"Compound":"Propanoic acid, 3-ethoxy-3-imino-, ethyl ester, hydrochloride","CAS":"2318-25-4","CAS.Checksum":true,"DTXSID":"DTXSID9046994","Formula":"C7H14ClNO3","All.Compound.Names":"Propanoic acid, 3-ethoxy-3-imino-, ethyl ester, hydrochloride|Ethyl 3-ethoxy-3-iminopropionate hydrochloride|Dtxsid9046994|2318-25-4","logHenry":-7.779,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.425,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.387,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9935,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.8,"MP.Reference":"EPA-CCD-OPERA","MW":195.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2318-25-4"}
{"Compound":"Pipethanate ethylbromide","CAS":"23182-46-9","CAS.Checksum":true,"DTXSID":"DTXSID7046677","Formula":"C23H30BrNO3","All.Compound.Names":"Pipethanate ethylbromide|Dtxsid7046677|23182-46-9","logHenry":-7.749,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.529,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.13,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.383,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.5,"MP.Reference":"EPA-CCD-OPERA","MW":448.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23182-46-9"}
{"Compound":"Ifenprodil","CAS":"23210-56-2","CAS.Checksum":true,"DTXSID":"DTXSID2045656","Formula":"C21H27NO2","All.Compound.Names":"Ifenprodil|Dtxsid2045656|23210-56-2","logHenry":-8.971,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.856,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.494,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.469,"logWSol.Reference":"EPA-CCD-OPERA","MP":114,"MP.Reference":"EPA-CCD-OPERA","MW":325.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.37","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"56.72","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"23210-56-2"}
{"Compound":"2,2'-(oxydimethanediyl)bis(2-ethylpropane-1,3-diol)","CAS":"23235-61-2","CAS.Checksum":true,"DTXSID":"DTXSID9044879","Formula":"C12H26O5","All.Compound.Names":"2,2'-(oxydimethanediyl)bis(2-ethylpropane-1,3-diol)|Dtxsid9044879|23235-61-2","logHenry":-8.538,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7405,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.892,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9831,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.5,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23235-61-2"}
{"Compound":"Ritodrine hydrochloride","CAS":"23239-51-2","CAS.Checksum":true,"DTXSID":"DTXSID8045438","Formula":"C17H22ClNO3","All.Compound.Names":"Ritodrine hydrochloride|Dtxsid8045438|23239-51-2","logHenry":-10.21,"logHenry.Reference":"OPERA29","logP":2.04,"logP.Reference":"OPERA29","logWSol":-3.2,"logWSol.Reference":"OPERA29","MP":127,"MP.Reference":"OPERA29","MW":323.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23239-51-2"}
{"Compound":"Procodazole","CAS":"23249-97-0","CAS.Checksum":true,"DTXSID":"DTXSID5045093","Formula":"C10H10N2O2","All.Compound.Names":"Procodazole|Dtxsid5045093|23249-97-0","logHenry":-8.839,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.566,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.62,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.87,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.2,"MP.Reference":"EPA-CCD-OPERA","MW":190.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.23","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23249-97-0"}
{"Compound":"Bendazac sodium","CAS":"23255-99-4","CAS.Checksum":true,"DTXSID":"DTXSID0046644","Formula":"C16H13N2NaO3","All.Compound.Names":"Bendazac sodium|Dtxsid0046644|23255-99-4","logHenry":-8.356,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6325,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.19,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.123,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.2,"MP.Reference":"EPA-CCD-OPERA","MW":304.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.83","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23255-99-4"}
{"Compound":"Nifurtimox","CAS":"23256-30-6","CAS.Checksum":true,"DTXSID":"DTXSID3045439","Formula":"C10H13N3O5S","All.Compound.Names":"Nifurtimox|Dtxsid3045439|23256-30-6","logHenry":-6.212,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.721,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.538,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.833,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.9,"MP.Reference":"EPA-CCD-OPERA","MW":287.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23256-30-6"}
{"Compound":"3,4-dichlorophenylurea","CAS":"2327-02-8","CAS.Checksum":true,"DTXSID":"DTXSID2041468","Formula":"C7H6Cl2N2O","All.Compound.Names":"3,4-dichlorophenylurea|N-(3,4-dichlorophenyl)urea|Dtxsid2041468|2327-02-8","logHenry":-8.679,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.648,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.716,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.954,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.1,"MP.Reference":"EPA-CCD-OPERA","MW":205,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2327-02-8"}
{"Compound":"Probucol","CAS":"23288-49-5","CAS.Checksum":true,"DTXSID":"DTXSID2045440","Formula":"C31H48O2S2","All.Compound.Names":"Probucol|23288-49-5","logHenry":-5.009,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.08,"logP.Reference":"OPERA29","logWSol":-6.89,"logWSol.Reference":"OPERA29","MP":125,"MP.Reference":"EPA-CCD-OPERA","MW":516.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.05,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"23288-49-5"}
{"Compound":"2-[2-(2-propoxyethoxy)ethoxy]ethanol","CAS":"23305-64-8","CAS.Checksum":true,"DTXSID":"DTXSID8044880","Formula":"C9H20O4","All.Compound.Names":"2-[2-(2-propoxyethoxy)ethoxy]ethanol|Dtxsid8044880|23305-64-8","logHenry":-8.029,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2191,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.544,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7357,"logWSol.Reference":"EPA-CCD-OPERA","MP":-34.22,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23305-64-8"}
{"Compound":"Nefopam hydrochloride","CAS":"23327-57-3","CAS.Checksum":true,"DTXSID":"DTXSID7045441","Formula":"C17H20ClNO","All.Compound.Names":"Nefopam hydrochloride|Dtxsid7045441|23327-57-3","logHenry":-4.798,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5542,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.401,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.843,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.1,"MP.Reference":"EPA-CCD-OPERA","MW":289.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23327-57-3"}
{"Compound":"[3-(trifluoromethyl)phenyl]acetonitrile","CAS":"2338-76-3","CAS.Checksum":true,"DTXSID":"DTXSID9044617","Formula":"C9H6F3N","All.Compound.Names":"[3-(trifluoromethyl)phenyl]acetonitrile|Dtxsid9044617","logHenry":-2.542,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.308,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.137,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.643,"logWSol.Reference":"EPA-CCD-OPERA","MP":38,"MP.Reference":"EPA-CCD-OPERA","MW":185.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2338-76-3"}
{"Compound":"Dicyclohexyl sodium sulfosuccinate","CAS":"23386-52-9","CAS.Checksum":true,"DTXSID":"DTXSID8027826","Formula":"C16H25NaO7S","All.Compound.Names":"Dicyclohexyl sodium sulfosuccinate|Dtxsid8027826|23386-52-9","logHenry":-9.375,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2881,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.49,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.848,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.8,"MP.Reference":"EPA-CCD-OPERA","MW":384.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23386-52-9"}
{"Compound":"Methyl [3-(trimethoxysilyl)propyl]carbamate","CAS":"23432-62-4","CAS.Checksum":true,"DTXSID":"DTXSID3044881","Formula":"C8H19NO5Si","All.Compound.Names":"Methyl [3-(trimethoxysilyl)propyl]carbamate|Dtxsid3044881|23432-62-4","logHenry":-8.218,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4392,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.938,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.0796,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.7,"MP.Reference":"EPA-CCD-OPERA","MW":237.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23432-62-4"}
{"Compound":"Caroverine hydrochloride","CAS":"23465-76-1","CAS.Checksum":true,"DTXSID":"DTXSID6049010","Formula":"C22H27N3O2","All.Compound.Names":"Caroverine hydrochloride|Caroverine|Dtxsid6049010|23465-76-1","logHenry":-8.112,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.977,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.731,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.111,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.9,"MP.Reference":"EPA-CCD-OPERA","MW":365.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23465-76-1"}
{"Compound":"Thioproperazine dimethanesulfonate","CAS":"2347-80-0","CAS.Checksum":true,"DTXSID":"DTXSID9045558","Formula":"C24H38N4O8S4","All.Compound.Names":"Thioproperazine dimethanesulfonate|Dtxsid9045558|2347-80-0","logHenry":-6.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.566,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.12,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.943,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.4,"MP.Reference":"EPA-CCD-OPERA","MW":638.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2347-80-0"}
{"Compound":"Hexyl isobutyrate","CAS":"2349-07-7","CAS.Checksum":true,"DTXSID":"DTXSID2047519","Formula":"C10H20O2","All.Compound.Names":"Hexyl isobutyrate|Dtxsid2047519","logHenry":-3.256,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.983,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9863,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.244,"logWSol.Reference":"EPA-CCD-OPERA","MP":-68.78,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2349-07-7"}
{"Compound":"Phenoxyethyl propionate","CAS":"23495-12-7","CAS.Checksum":true,"DTXSID":"DTXSID9047203","Formula":"C11H14O3","All.Compound.Names":"Phenoxyethyl propionate|2-phenoxyethyl propanoate|Dtxsid9047203","logHenry":-6.226,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.409,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.672,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.193,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.4,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23495-12-7"}
{"Compound":"Pirimiphos-ethyl","CAS":"23505-41-1","CAS.Checksum":true,"DTXSID":"DTXSID5042297","Formula":"C13H24N3O3PS","All.Compound.Names":"Pirimiphos-ethyl|Dtxsid5042297|23505-41-1","logHenry":-5.94,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.849,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.721,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.237,"logWSol.Reference":"EPA-CCD-OPERA","MP":15,"MP.Reference":"EPA-CCD-OPERA","MW":333.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23505-41-1"}
{"Compound":"Daunomycin hydrochloride","CAS":"23541-50-6","CAS.Checksum":true,"DTXSID":"DTXSID0033382","Formula":"C27H30ClNO10","All.Compound.Names":"Daunomycin hydrochloride|Dtxsid0033382|23541-50-6","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.503,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.01,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.14,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.7,"MP.Reference":"EPA-CCD-OPERA","MW":564,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23541-50-6"}
{"Compound":"Thiophanate","CAS":"23564-06-9","CAS.Checksum":true,"DTXSID":"DTXSID3034531","Formula":"C14H18N4O4S2","All.Compound.Names":"Thiophanate|Dtxsid3034531|23564-06-9","logHenry":-9.779,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.012,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.417,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.763,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.7,"MP.Reference":"EPA-CCD-OPERA","MW":370.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23564-06-9"}
{"Compound":"Di(ethylene glycol) dimethacrylate","CAS":"2358-84-1","CAS.Checksum":true,"DTXSID":"DTXSID8044882","Formula":"C12H18O5","All.Compound.Names":"Di(ethylene glycol) dimethacrylate|Dtxsid8044882","logHenry":-6.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.401,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.476,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.536,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.824,"MP.Reference":"EPA-CCD-OPERA","MW":242.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2358-84-1"}
{"Compound":"Hexyl nicotinate","CAS":"23597-82-2","CAS.Checksum":true,"DTXSID":"DTXSID3046245","Formula":"C12H17NO2","All.Compound.Names":"Hexyl nicotinate|Dtxsid3046245|23597-82-2","logHenry":-6.861,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.506,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.548,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.651,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.19,"MP.Reference":"EPA-CCD-OPERA","MW":207.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23597-82-2"}
{"Compound":"Epitiostanol","CAS":"2363-58-8","CAS.Checksum":true,"DTXSID":"DTXSID2045367","Formula":"C19H30OS","All.Compound.Names":"Epitiostanol|Dtxsid2045367|2363-58-8","logHenry":-5.381,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.602,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.696,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.409,"logWSol.Reference":"EPA-CCD-OPERA","MP":127.1,"MP.Reference":"EPA-CCD-OPERA","MW":306.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2363-58-8"}
{"Compound":"Benfluorex hydrochloride","CAS":"23642-66-2","CAS.Checksum":true,"DTXSID":"DTXSID8045854","Formula":"C19H21ClF3NO2","All.Compound.Names":"Benfluorex hydrochloride|Dtxsid8045854|23642-66-2","logHenry":-7.295,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.344,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.286,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.987,"logWSol.Reference":"EPA-CCD-OPERA","MP":187,"MP.Reference":"EPA-CCD-OPERA","MW":387.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23642-66-2"}
{"Compound":"Methyl thioglycolate","CAS":"2365-48-2","CAS.Checksum":true,"DTXSID":"DTXSID0033673","Formula":"C3H6O2S","All.Compound.Names":"Methyl thioglycolate|Dtxsid0033673|2365-48-2","logHenry":-7.573,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2314,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.517,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2059,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.35,"MP.Reference":"EPA-CCD-OPERA","MW":106.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2365-48-2"}
{"Compound":"Droxidopa","CAS":"23651-95-8","CAS.Checksum":true,"DTXSID":"DTXSID6046422","Formula":"C9H11NO5","All.Compound.Names":"Droxidopa|23651-95-8|Dtxsid6046422","logHenry":-9.733,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9848,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.426,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.574,"logWSol.Reference":"EPA-CCD-OPERA","MP":174,"MP.Reference":"EPA-CCD-OPERA","MW":213.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.33","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"23651-95-8"}
{"Compound":"Levosulpiride","CAS":"23672-07-3","CAS.Checksum":true,"DTXSID":"DTXSID0042583","Formula":"C15H23N3O4S","All.Compound.Names":"Levosulpiride|N-{[(2s)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-sulfamoylbenzamide|Dtxsid0042583|23672-07-3","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5712,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.751,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.876,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.9,"MP.Reference":"EPA-CCD-OPERA","MW":341.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23672-07-3"}
{"Compound":"Difluprednate","CAS":"23674-86-4","CAS.Checksum":true,"DTXSID":"DTXSID0046773","Formula":"C27H34F2O7","All.Compound.Names":"Difluprednate|Dtxsid0046773|23674-86-4","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.755,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.508,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.965,"logWSol.Reference":"EPA-CCD-OPERA","MP":254.8,"MP.Reference":"EPA-CCD-OPERA","MW":508.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23674-86-4"}
{"Compound":"4-amino-2-chloro-6,7-dimethoxyquinazoline","CAS":"23680-84-4","CAS.Checksum":true,"DTXSID":"DTXSID3057694","Formula":"C10H10ClN3O2","All.Compound.Names":"4-amino-2-chloro-6,7-dimethoxyquinazoline|Dtxsid3057694|23680-84-4","logHenry":-9.077,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2681,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.44,"logWSol.Reference":"EPA-CCD-OPERA","MP":226.5,"MP.Reference":"EPA-CCD-OPERA","MW":239.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.99","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23680-84-4"}
{"Compound":"Sultopride hydrochloride","CAS":"23694-17-9","CAS.Checksum":true,"DTXSID":"DTXSID0049070","Formula":"C17H27ClN2O4S","All.Compound.Names":"Sultopride hydrochloride|Dtxsid0049070|23694-17-9","logHenry":-9.893,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8477,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.64,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.521,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.7,"MP.Reference":"EPA-CCD-OPERA","MW":390.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.52","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23694-17-9"}
{"Compound":"Olaquindox","CAS":"23696-28-8","CAS.Checksum":true,"DTXSID":"DTXSID3040726","Formula":"C12H13N3O4","All.Compound.Names":"Olaquindox|23696-28-8","logHenry":-9.735,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5778,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.824,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.69,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.5,"MP.Reference":"EPA-CCD-OPERA","MW":263.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23696-28-8"}
{"Compound":"Damascenone","CAS":"23696-85-7","CAS.Checksum":true,"DTXSID":"DTXSID6041397","Formula":"C13H18O","All.Compound.Names":"Damascenone|Dtxsid6041397","logHenry":-3.527,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.495,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.867,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.409,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.8,"MP.Reference":"EPA-CCD-OPERA","MW":190.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23696-85-7"}
{"Compound":"2-ethoxyethyl methacrylate","CAS":"2370-63-0","CAS.Checksum":true,"DTXSID":"DTXSID1022186","Formula":"C8H14O3","All.Compound.Names":"2-ethoxyethyl methacrylate|Dtxsid1022186","logHenry":-4.487,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.613,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.814,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.463,"logWSol.Reference":"EPA-CCD-OPERA","MP":-57.61,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2370-63-0"}
{"Compound":"Metrifudil","CAS":"23707-33-7","CAS.Checksum":true,"DTXSID":"DTXSID1045168","Formula":"C18H21N5O4","All.Compound.Names":"Metrifudil|Dtxsid1045168|23707-33-7","logHenry":-9.968,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.584,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.854,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.513,"logWSol.Reference":"EPA-CCD-OPERA","MP":223.9,"MP.Reference":"EPA-CCD-OPERA","MW":371.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23707-33-7"}
{"Compound":"(e)-beta-damascone","CAS":"23726-91-2","CAS.Checksum":true,"DTXSID":"DTXSID7051890","Formula":"C13H20O","All.Compound.Names":"(e)-beta-damascone|Beta-damascone|Dtxsid7051890","logHenry":-3.492,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.005,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.559,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.553,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.32,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23726-91-2"}
{"Compound":"5h-5-methyl-6,7-dihydrocyclopenta[b]pyrazine","CAS":"23747-48-0","CAS.Checksum":true,"DTXSID":"DTXSID7047196","Formula":"C8H10N2","All.Compound.Names":"5h-5-methyl-6,7-dihydrocyclopenta[b]pyrazine|6,7-dihydro-5-methyl-5h-cyclopentapyrazine|Dtxsid7047196|23747-48-0","logHenry":-5.042,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.34,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.629,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3439,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.61,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23747-48-0"}
{"Compound":"Methylprednisolone succinate","CAS":"2375-03-3","CAS.Checksum":true,"DTXSID":"DTXSID2023303","Formula":"C26H33NaO8","All.Compound.Names":"Methylprednisolone succinate|Methylprednisolone sodium succinate|Dtxsid2023303|2375-03-3","logHenry":-11.22,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.615,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.788,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.227,"logWSol.Reference":"EPA-CCD-OPERA","MP":251,"MP.Reference":"EPA-CCD-OPERA","MW":496.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2375-03-3"}
{"Compound":"2,5,8,11,14-pentaoxahexadecan-16-ol","CAS":"23778-52-1","CAS.Checksum":true,"DTXSID":"DTXSID8041371","Formula":"C11H24O6","All.Compound.Names":"2,5,8,11,14-pentaoxahexadecan-16-ol|3,6,9,12,15-pentaoxahexadecanol|Dtxsid8041371|23778-52-1","logHenry":-8.217,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2462,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.832,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7226,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.085,"MP.Reference":"EPA-CCD-OPERA","MW":252.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23778-52-1"}
{"Compound":"1-[3-(triethoxysilyl)propyl]urea","CAS":"23779-32-0","CAS.Checksum":true,"DTXSID":"DTXSID5044493","Formula":"C10H24N2O4Si","All.Compound.Names":"1-[3-(triethoxysilyl)propyl]urea|Dtxsid5044493|23779-32-0","logHenry":-8.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.162,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.222,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.883,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.3,"MP.Reference":"EPA-CCD-OPERA","MW":264.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23779-32-0"}
{"Compound":"Floctafenine","CAS":"23779-99-9","CAS.Checksum":true,"DTXSID":"DTXSID8057695","Formula":"C20H17F3N2O4","All.Compound.Names":"Floctafenine|Dtxsid8057695|23779-99-9","logHenry":-11.06,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.721,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.564,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.035,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.5,"MP.Reference":"EPA-CCD-OPERA","MW":406.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23779-99-9"}
{"Compound":"2,5,8,11-tetraoxatridecan-13-ol","CAS":"23783-42-8","CAS.Checksum":true,"DTXSID":"DTXSID3027829","Formula":"C9H20O5","All.Compound.Names":"2,5,8,11-tetraoxatridecan-13-ol|Dtxsid3027829|23783-42-8","logHenry":-8.133,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3694,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.844,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7284,"logWSol.Reference":"EPA-CCD-OPERA","MP":-12.04,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23783-42-8"}
{"Compound":"4-hydroxyindole","CAS":"2380-94-1","CAS.Checksum":true,"DTXSID":"DTXSID3057696","Formula":"C8H7NO","All.Compound.Names":"4-hydroxyindole|Dtxsid3057696|2380-94-1","logHenry":-7.205,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.718,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.216,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8429,"logWSol.Reference":"EPA-CCD-OPERA","MP":100,"MP.Reference":"EPA-CCD-OPERA","MW":133.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2380-94-1"}
{"Compound":"1-methylpyrene","CAS":"2381-21-7","CAS.Checksum":true,"DTXSID":"DTXSID0025654","Formula":"C17H12","All.Compound.Names":"1-methylpyrene|Dtxsid0025654","logHenry":-4.946,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.475,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.525,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.901,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.6,"MP.Reference":"EPA-CCD-OPERA","MW":216.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2381-21-7"}
{"Compound":"Ambroxolhydrochloride","CAS":"23828-92-4","CAS.Checksum":true,"DTXSID":"DTXSID2045442","Formula":"C13H19Br2ClN2O","All.Compound.Names":"Ambroxolhydrochloride|Dtxsid2045442|23828-92-4","logHenry":-8.277,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.06644,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.19,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.669,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.8,"MP.Reference":"EPA-CCD-OPERA","MW":414.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23828-92-4"}
{"Compound":"1,1'-disulfanediyldiazepan-2-one","CAS":"23847-08-7","CAS.Checksum":true,"DTXSID":"DTXSID1044481","Formula":"C12H20N2O2S2","All.Compound.Names":"1,1'-disulfanediyldiazepan-2-one|Dtxsid1044481|23847-08-7","logHenry":-7.621,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.697,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.047,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.383,"logWSol.Reference":"EPA-CCD-OPERA","MP":88.78,"MP.Reference":"EPA-CCD-OPERA","MW":288.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23847-08-7"}
{"Compound":"Butane-1-sulfonyl chloride","CAS":"2386-60-9","CAS.Checksum":true,"DTXSID":"DTXSID3044883","Formula":"C4H9ClO2S","All.Compound.Names":"Butane-1-sulfonyl chloride|Dtxsid3044883","logHenry":-7.121,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.04625,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.013,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.58,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.37,"MP.Reference":"EPA-CCD-OPERA","MW":156.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2386-60-9"}
{"Compound":"Ut-632","CAS":"2386-87-0","CAS.Checksum":true,"DTXSID":"DTXSID2027466","Formula":"C14H20O4","All.Compound.Names":"Ut-632|Ecc|Dtxsid2027466","logHenry":-7.731,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.803,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.749,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.875,"logWSol.Reference":"EPA-CCD-OPERA","MP":-36.72,"MP.Reference":"EPA-CCD-OPERA","MW":252.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2386-87-0"}
{"Compound":"Carbocysteine","CAS":"2387-59-9","CAS.Checksum":true,"DTXSID":"DTXSID9022738","Formula":"C5H9NO4S","All.Compound.Names":"Carbocysteine|Dtxsid9022738|2387-59-9","logHenry":-9.175,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7571,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.881,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.463,"logWSol.Reference":"EPA-CCD-OPERA","MP":206,"MP.Reference":"EPA-CCD-OPERA","MW":179.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2387-59-9"}
{"Compound":"Didecyldimethylammonium bromide","CAS":"2390-68-3","CAS.Checksum":true,"DTXSID":"DTXSID9046528","Formula":"C22H48BrN","All.Compound.Names":"Didecyldimethylammonium bromide|Dtxsid9046528|2390-68-3","logHenry":-5.804,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.02,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.276,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.873,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.2,"MP.Reference":"EPA-CCD-OPERA","MW":406.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2390-68-3"}
{"Compound":"Tetraoctylphosphonium bromide","CAS":"23906-97-0","CAS.Checksum":true,"DTXSID":"DTXSID5047900","Formula":"C32H68BrP","All.Compound.Names":"Tetraoctylphosphonium bromide","logHenry":-6.125,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.09,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.587,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.048,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.2,"MP.Reference":"EPA-CCD-OPERA","MW":563.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23906-97-0"}
{"Compound":"Dexbrompheniramine maleate","CAS":"2391-03-9","CAS.Checksum":true,"DTXSID":"DTXSID6047818","Formula":"C20H23BrN2O4","All.Compound.Names":"Dexbrompheniramine maleate|Dtxsid6047818|2391-03-9","logHenry":-5.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6734,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.109,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.49,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.3,"MP.Reference":"EPA-CCD-OPERA","MW":435.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2391-03-9"}
{"Compound":"Alphaxalone","CAS":"23930-19-0","CAS.Checksum":true,"DTXSID":"DTXSID9022576","Formula":"C21H32O3","All.Compound.Names":"Alphaxalone|Dtxsid9022576|23930-19-0","logHenry":-8.369,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.069,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.628,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.104,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.6,"MP.Reference":"EPA-CCD-OPERA","MW":332.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23930-19-0"}
{"Compound":"Alfadolone acetate","CAS":"23930-37-2","CAS.Checksum":true,"DTXSID":"DTXSID7045443","Formula":"C23H34O5","All.Compound.Names":"Alfadolone acetate|Dtxsid7045443|23930-37-2","logHenry":-8.48,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.499,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.902,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.179,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.1,"MP.Reference":"EPA-CCD-OPERA","MW":390.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23930-37-2"}
{"Compound":"Ethirimol","CAS":"23947-60-6","CAS.Checksum":true,"DTXSID":"DTXSID6041927","Formula":"C11H19N3O","All.Compound.Names":"Ethirimol|Dtxsid6041927|23947-60-6","logHenry":-6.532,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.21,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.154,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.995,"logWSol.Reference":"EPA-CCD-OPERA","MP":160,"MP.Reference":"EPA-CCD-OPERA","MW":209.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.94","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23947-60-6"}
{"Compound":"4-tert-butylbenzenethiol","CAS":"2396-68-1","CAS.Checksum":true,"DTXSID":"DTXSID9048196","Formula":"C10H14S","All.Compound.Names":"4-tert-butylbenzenethiol|Dtxsid9048196|2396-68-1","logHenry":-3.285,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.85,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.157,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.614,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.142,"MP.Reference":"EPA-CCD-OPERA","MW":166.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2396-68-1"}
{"Compound":"Articaine hydrochloride","CAS":"23964-57-0","CAS.Checksum":true,"DTXSID":"DTXSID2045444","Formula":"C13H21ClN2O3S","All.Compound.Names":"Articaine hydrochloride|Dtxsid2045444|23964-57-0","logHenry":-8.077,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5228,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.689,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.186,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.4,"MP.Reference":"EPA-CCD-OPERA","MW":320.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23964-57-0"}
{"Compound":"1-bromo-3-methoxybenzene","CAS":"2398-37-0","CAS.Checksum":true,"DTXSID":"DTXSID4044618","Formula":"C7H7BrO","All.Compound.Names":"1-bromo-3-methoxybenzene|Dtxsid4044618","logHenry":-5.081,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.03,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.8,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.372,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.702,"MP.Reference":"EPA-CCD-OPERA","MW":187,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2398-37-0"}
{"Compound":"Nicotinic acid 1-oxide","CAS":"2398-81-4","CAS.Checksum":true,"DTXSID":"DTXSID2046543","Formula":"C6H5NO3","All.Compound.Names":"Nicotinic acid 1-oxide|Dtxsid2046543|2398-81-4","logHenry":-8.691,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3074,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.519,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.297,"logWSol.Reference":"EPA-CCD-OPERA","MP":247.8,"MP.Reference":"EPA-CCD-OPERA","MW":139.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2398-81-4"}
{"Compound":"Tolnaftate","CAS":"2398-96-1","CAS.Checksum":true,"DTXSID":"DTXSID3042477","Formula":"C19H17NOS","All.Compound.Names":"Tolnaftate|Dtxsid3042477|2398-96-1","logHenry":-8.142,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.196,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.412,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.865,"logWSol.Reference":"EPA-CCD-OPERA","MP":111,"MP.Reference":"EPA-CCD-OPERA","MW":307.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2398-96-1"}
{"Compound":"Tetrahydrofurfuryl acrylate","CAS":"2399-48-6","CAS.Checksum":true,"DTXSID":"DTXSID8044884","Formula":"C8H12O3","All.Compound.Names":"Tetrahydrofurfuryl acrylate|Dtxsid8044884","logHenry":-4.53,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.522,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.799,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6402,"logWSol.Reference":"EPA-CCD-OPERA","MP":-41.32,"MP.Reference":"EPA-CCD-OPERA","MW":156.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2399-48-6"}
{"Compound":"2,6-dichloropyridine","CAS":"2402-78-0","CAS.Checksum":true,"DTXSID":"DTXSID2051895","Formula":"C5H3Cl2N","All.Compound.Names":"2,6-dichloropyridine|Dtxsid2051895|2402-78-0","logHenry":-4.436,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.149,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.164,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9928,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.28,"MP.Reference":"EPA-CCD-OPERA","MW":148,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2402-78-0"}
{"Compound":"2,3,5,6-tetrachloropyridine","CAS":"2402-79-1","CAS.Checksum":true,"DTXSID":"DTXSID7027467","Formula":"C5HCl4N","All.Compound.Names":"2,3,5,6-tetrachloropyridine|Dtxsid7027467|2402-79-1","logHenry":-3.274,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.321,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.44,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.644,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.42,"MP.Reference":"EPA-CCD-OPERA","MW":216.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2402-79-1"}
{"Compound":"2,2,6,6-tetramethyl- 4-piperidinol","CAS":"2403-88-5","CAS.Checksum":true,"DTXSID":"DTXSID3029655","Formula":"C9H19NO","All.Compound.Names":"2,2,6,6-tetramethyl- 4-piperidinol|Dtxsid3029655|2403-88-5","logHenry":-6.858,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.716,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.871,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3213,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.77,"MP.Reference":"EPA-CCD-OPERA","MW":157.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2403-88-5"}
{"Compound":"1,2,2,6,6-pentamethylpiperidin-4-ol","CAS":"2403-89-6","CAS.Checksum":true,"DTXSID":"DTXSID3044411","Formula":"C10H21NO","All.Compound.Names":"1,2,2,6,6-pentamethylpiperidin-4-ol|Dtxsid3044411|2403-89-6","logHenry":-5.676,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.485,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.328,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4144,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.61,"MP.Reference":"EPA-CCD-OPERA","MW":171.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2403-89-6"}
{"Compound":"1,2-epoxydecane","CAS":"2404-44-6","CAS.Checksum":true,"DTXSID":"DTXSID4025242","Formula":"C10H20O","All.Compound.Names":"1,2-epoxydecane|Dtxsid4025242","logHenry":-2.964,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.812,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1959,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.503,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.26,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2404-44-6"}
{"Compound":"(+)-2-methylbutyl-4-methoxybenzyladine-4'-aminocyannate","CAS":"24140-30-5","CAS.Checksum":true,"DTXSID":"DTXSID4025581","Formula":"C22H25NO3","All.Compound.Names":"(+)-2-methylbutyl-4-methoxybenzyladine-4'-aminocyannate|Dtxsid4025581|24140-30-5","logHenry":-6.237,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.435,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.477,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.717,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.4,"MP.Reference":"EPA-CCD-OPERA","MW":351.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24140-30-5"}
{"Compound":"2,6-diisopropylnaphthalene","CAS":"24157-81-1","CAS.Checksum":true,"DTXSID":"DTXSID7035272","Formula":"C16H20","All.Compound.Names":"2,6-diisopropylnaphthalene|Dtxsid7035272","logHenry":-3.281,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.931,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.514,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.293,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.72,"MP.Reference":"EPA-CCD-OPERA","MW":212.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24157-81-1"}
{"Compound":"Cloxazolam","CAS":"24166-13-0","CAS.Checksum":true,"DTXSID":"DTXSID0022854","Formula":"C17H14Cl2N2O2","All.Compound.Names":"Cloxazolam|Dtxsid0022854|24166-13-0","logHenry":-8.459,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.202,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.19,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.405,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.1,"MP.Reference":"EPA-CCD-OPERA","MW":349.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24166-13-0"}
{"Compound":"2-sec-butyl-3-methoxypyrazine","CAS":"24168-70-5","CAS.Checksum":true,"DTXSID":"DTXSID0047082","Formula":"C9H14N2O","All.Compound.Names":"2-sec-butyl-3-methoxypyrazine|3-sec-butyl-2-methoxypyrazine|Dtxsid0047082|24168-70-5","logHenry":-4.504,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.957,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.599,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.614,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.58,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24168-70-5"}
{"Compound":"Benzoic acid,4-(bromomethyl)-,methylester","CAS":"2417-72-3","CAS.Checksum":true,"DTXSID":"DTXSID4049406","Formula":"C9H9BrO2","All.Compound.Names":"Benzoic acid,4-(bromomethyl)-,methylester|Methyl 4-(bromomethyl)benzoate|Dtxsid4049406","logHenry":-6.603,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.72,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.097,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.145,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.82,"MP.Reference":"EPA-CCD-OPERA","MW":229.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2417-72-3"}
{"Compound":"5,5'-bi-2-benzofuran-1,1',3,3'-tetrone","CAS":"2420-87-3","CAS.Checksum":true,"DTXSID":"DTXSID8044886","Formula":"C16H6O6","All.Compound.Names":"5,5'-bi-2-benzofuran-1,1',3,3'-tetrone|Dtxsid8044886","logHenry":-8.11,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.54,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.19,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.743,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.2,"MP.Reference":"EPA-CCD-OPERA","MW":294.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2420-87-3"}
{"Compound":"Benzophenonetetracarboxylic dianhydride","CAS":"2421-28-5","CAS.Checksum":true,"DTXSID":"DTXSID3029233","Formula":"C17H6O7","All.Compound.Names":"Benzophenonetetracarboxylic dianhydride|Dtxsid3029233","logHenry":-8.128,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.548,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.14,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.868,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.5,"MP.Reference":"EPA-CCD-OPERA","MW":322.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2421-28-5"}
{"Compound":"Quindoxin","CAS":"2423-66-7","CAS.Checksum":true,"DTXSID":"DTXSID8046165","Formula":"C8H6N2O2","All.Compound.Names":"Quindoxin|Dtxsid8046165|2423-66-7","logHenry":-6.598,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.668,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.108,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.335,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.5,"MP.Reference":"EPA-CCD-OPERA","MW":162.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-3.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2423-66-7"}
{"Compound":"Tinoridine","CAS":"24237-54-5","CAS.Checksum":true,"DTXSID":"DTXSID9023677","Formula":"C17H20N2O2S","All.Compound.Names":"Tinoridine|Dtxsid9023677|24237-54-5","logHenry":-9.576,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.624,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.033,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.535,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.6,"MP.Reference":"EPA-CCD-OPERA","MW":316.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24237-54-5"}
{"Compound":"Metocinium iodide","CAS":"2424-71-7","CAS.Checksum":true,"DTXSID":"DTXSID8046117","Formula":"C19H24INO3","All.Compound.Names":"Metocinium iodide|Dtxsid8046117|2424-71-7","logHenry":-9.187,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.221,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.79,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.013,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.4,"MP.Reference":"EPA-CCD-OPERA","MW":441.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2424-71-7"}
{"Compound":"1-chlorotetradecane","CAS":"2425-54-9","CAS.Checksum":true,"DTXSID":"DTXSID1027471","Formula":"C14H29Cl","All.Compound.Names":"1-chlorotetradecane|Dtxsid1027471","logHenry":-3.643,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.246,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1896,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.19,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.075,"MP.Reference":"EPA-CCD-OPERA","MW":232.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2425-54-9"}
{"Compound":"2-hexyl-1-decanol","CAS":"2425-77-6","CAS.Checksum":true,"DTXSID":"DTXSID1041265","Formula":"C16H34O","All.Compound.Names":"2-hexyl-1-decanol|Dtxsid1041265|2425-77-6","logHenry":-4.675,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.522,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.037,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.123,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.14,"MP.Reference":"EPA-CCD-OPERA","MW":242.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2425-77-6"}
{"Compound":"1,4-butanediol diglycidyl ether","CAS":"2425-79-8","CAS.Checksum":true,"DTXSID":"DTXSID7024667","Formula":"C10H18O4","All.Compound.Names":"1,4-butanediol diglycidyl ether|Dtxsid7024667","logHenry":-5.536,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6002,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.527,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1762,"logWSol.Reference":"EPA-CCD-OPERA","MP":50.59,"MP.Reference":"EPA-CCD-OPERA","MW":202.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2425-79-8"}
{"Compound":"Butyl glycidyl ether","CAS":"2426-08-6","CAS.Checksum":true,"DTXSID":"DTXSID9024691","Formula":"C7H14O2","All.Compound.Names":"Butyl glycidyl ether|Dtxsid9024691","logHenry":-3.892,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6306,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.299,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8092,"logWSol.Reference":"EPA-CCD-OPERA","MP":-69.32,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2426-08-6"}
{"Compound":"2-(diethylamino)ethyl acrylate","CAS":"2426-54-2","CAS.Checksum":true,"DTXSID":"DTXSID4051900","Formula":"C9H17NO2","All.Compound.Names":"2-(diethylamino)ethyl acrylate|Dtxsid4051900|2426-54-2","logHenry":-4.468,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.115,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.698,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4031,"logWSol.Reference":"EPA-CCD-OPERA","MP":-59.89,"MP.Reference":"EPA-CCD-OPERA","MW":171.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2426-54-2"}
{"Compound":"5-methoxy-n,n-diisopropyltryptamine hydrochloride","CAS":"2426-63-3","CAS.Checksum":true,"DTXSID":"DTXSID7048900","Formula":"C17H27ClN2O","All.Compound.Names":"5-methoxy-n,n-diisopropyltryptamine hydrochloride|Dtxsid7048900|2426-63-3","logHenry":-5.255,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.124,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.771,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.911,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.1,"MP.Reference":"EPA-CCD-OPERA","MW":310.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2426-63-3"}
{"Compound":"Carboquone","CAS":"24279-91-2","CAS.Checksum":true,"DTXSID":"DTXSID8046870","Formula":"C15H19N3O5","All.Compound.Names":"Carboquone|Dtxsid8046870|24279-91-2","logHenry":-5.838,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1497,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.71,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.59,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.4,"MP.Reference":"EPA-CCD-OPERA","MW":321.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24279-91-2"}
{"Compound":"2-acetylthiazole","CAS":"24295-03-2","CAS.Checksum":true,"DTXSID":"DTXSID0030162","Formula":"C5H5NOS","All.Compound.Names":"2-acetylthiazole|Dtxsid0030162|24295-03-2","logHenry":-7.549,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.208,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5797,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.433,"MP.Reference":"EPA-CCD-OPERA","MW":127.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24295-03-2"}
{"Compound":"Valpromide","CAS":"2430-27-5","CAS.Checksum":true,"DTXSID":"DTXSID1023734","Formula":"C8H17NO","All.Compound.Names":"Valpromide|2430-27-5|Dtxsid1023734","logHenry":-7.417,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9833,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.434,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.8,"MP.Reference":"EPA-CCD-OPERA","MW":143.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.68,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"2430-27-5"}
{"Compound":"Protirelin","CAS":"24305-27-9","CAS.Checksum":true,"DTXSID":"DTXSID0023533","Formula":"C16H22N6O4","All.Compound.Names":"Protirelin|Tsh-releasing hormone|24305-27-9|Dtxsid0023533","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.458,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.91,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.641,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.1,"MP.Reference":"EPA-CCD-OPERA","MW":362.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.126,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.147,0.029,0.746","Human.Caco2.Pab.Reference":"ChEMBL","Human.Foral":0.02,"Human.Foral.Reference":"Musther 2014","Rat.Foral":0.0148,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"24305-27-9"}
{"Compound":"Mepiquat chloride","CAS":"24307-26-4","CAS.Checksum":true,"DTXSID":"DTXSID1024170","Formula":"C7H16ClN","All.Compound.Names":"Mepiquat chloride|1,1-dimethylpiperidinium chloride|Dtxsid1024170|24307-26-4","logHenry":-0.9382,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.82,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.892,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5216,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.9,"MP.Reference":"EPA-CCD-OPERA","MW":149.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24307-26-4"}
{"Compound":"3-(chloromethyl)-1,2,3-benzotriazin-4(3h)-one","CAS":"24310-41-6","CAS.Checksum":true,"DTXSID":"DTXSID2027830","Formula":"C8H6ClN3O","All.Compound.Names":"3-(chloromethyl)-1,2,3-benzotriazin-4(3h)-one|Dtxsid2027830|24310-41-6","logHenry":-7.441,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.199,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.595,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.16,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.94,"MP.Reference":"EPA-CCD-OPERA","MW":195.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24310-41-6"}
{"Compound":"Dioctyl succinate","CAS":"2432-87-3","CAS.Checksum":true,"DTXSID":"DTXSID0047537","Formula":"C26H50O4","All.Compound.Names":"Dioctyl succinate|Dioctyl sebacate|Dtxsid0047537","logHenry":-7.156,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.235,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.46,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.122,"logWSol.Reference":"EPA-CCD-OPERA","MP":4.428,"MP.Reference":"EPA-CCD-OPERA","MW":426.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2432-87-3"}
{"Compound":"4-cyclohexylcyclohexanol","CAS":"2433-14-9","CAS.Checksum":true,"DTXSID":"DTXSID3040722","Formula":"C12H22O","All.Compound.Names":"4-cyclohexylcyclohexanol|Dtxsid3040722|2433-14-9","logHenry":-5.07,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.763,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.783,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.07,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.16,"MP.Reference":"EPA-CCD-OPERA","MW":182.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2433-14-9"}
{"Compound":"S-adenosylmethionine chloride","CAS":"24346-00-7","CAS.Checksum":true,"DTXSID":"DTXSID5032020","Formula":"C15H23ClN6O5S","All.Compound.Names":"S-adenosylmethionine chloride|Dtxsid5032020|24346-00-7","logHenry":-9.993,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.09405,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.397,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":223.4,"MP.Reference":"EPA-CCD-OPERA","MW":434.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.67","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24346-00-7"}
{"Compound":"Isocarbophos","CAS":"24353-61-5","CAS.Checksum":true,"DTXSID":"DTXSID7042063","Formula":"C11H16NO4PS","All.Compound.Names":"Isocarbophos|Dtxsid7042063|24353-61-5","logHenry":-9.446,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.806,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.62,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.12,"MP.Reference":"EPA-CCD-OPERA","MW":289.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24353-61-5"}
{"Compound":"Lorbamate","CAS":"24353-88-6","CAS.Checksum":true,"DTXSID":"DTXSID8046246","Formula":"C12H22N2O4","All.Compound.Names":"Lorbamate|Dtxsid8046246|24353-88-6","logHenry":-9.252,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.872,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.133,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.562,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.93,"MP.Reference":"EPA-CCD-OPERA","MW":258.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24353-88-6"}
{"Compound":"Cephapirin sodium","CAS":"24356-60-3","CAS.Checksum":true,"DTXSID":"DTXSID7045574","Formula":"C17H16N3NaO6S2","All.Compound.Names":"Cephapirin sodium|Dtxsid7045574|24356-60-3","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3795,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.02,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.609,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.8,"MP.Reference":"EPA-CCD-OPERA","MW":445.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24356-60-3"}
{"Compound":"3,7-dimethylocta-1,6-diene","CAS":"2436-90-0","CAS.Checksum":true,"DTXSID":"DTXSID8029234","Formula":"C10H18","All.Compound.Names":"3,7-dimethylocta-1,6-diene|Dihydromyrcene|Dtxsid8029234","logHenry":-1.385,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.823,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3025,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.833,"logWSol.Reference":"EPA-CCD-OPERA","MP":-107.2,"MP.Reference":"EPA-CCD-OPERA","MW":138.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2436-90-0"}
{"Compound":"Dodecanenitrile","CAS":"2437-25-4","CAS.Checksum":true,"DTXSID":"DTXSID1022188","Formula":"C12H23N","All.Compound.Names":"Dodecanenitrile|N-undecyl cyanide|Dtxsid1022188","logHenry":-3.717,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.074,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.255,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.411,"logWSol.Reference":"EPA-CCD-OPERA","MP":4.179,"MP.Reference":"EPA-CCD-OPERA","MW":181.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2437-25-4"}
{"Compound":"Malachite green oxalate","CAS":"2437-29-8","CAS.Checksum":true,"DTXSID":"DTXSID6025513","Formula":"C52H54N4O12","All.Compound.Names":"Malachite green oxalate|Dtxsid6025513|2437-29-8","logHenry":-5.693,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5038,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.08,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.11,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.8,"MP.Reference":"EPA-CCD-OPERA","MW":927,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2437-29-8"}
{"Compound":"1-tridecene","CAS":"2437-56-1","CAS.Checksum":true,"DTXSID":"DTXSID3029235","Formula":"C13H26","All.Compound.Names":"1-tridecene|Dtxsid3029235","logHenry":-1.889,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.839,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.07909,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.531,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.99,"MP.Reference":"EPA-CCD-OPERA","MW":182.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2437-56-1"}
{"Compound":"2-benzimidazolylurea","CAS":"24370-25-0","CAS.Checksum":true,"DTXSID":"DTXSID3024574","Formula":"C8H8N4O","All.Compound.Names":"2-benzimidazolylurea|Dtxsid3024574|24370-25-0","logHenry":-8.751,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.131,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.095,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.109,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.2,"MP.Reference":"EPA-CCD-OPERA","MW":176.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.28","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24370-25-0"}
{"Compound":"4-propylbenzoic acid","CAS":"2438-05-3","CAS.Checksum":true,"DTXSID":"DTXSID5046564","Formula":"C10H12O2","All.Compound.Names":"4-propylbenzoic acid|Dtxsid5046564|2438-05-3","logHenry":-6.737,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.414,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.317,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.939,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.4,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2438-05-3"}
{"Compound":"Bufexamac","CAS":"2438-72-4","CAS.Checksum":true,"DTXSID":"DTXSID7045368","Formula":"C12H17NO3","All.Compound.Names":"Bufexamac|Dtxsid7045368|2438-72-4","logHenry":-9.728,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.081,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.104,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.58,"logWSol.Reference":"EPA-CCD-OPERA","MP":154,"MP.Reference":"EPA-CCD-OPERA","MW":223.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2438-72-4"}
{"Compound":"Chinomethionate","CAS":"2439-01-2","CAS.Checksum":true,"DTXSID":"DTXSID2032342","Formula":"C10H6N2OS2","All.Compound.Names":"Chinomethionate|Dtxsid2032342|2439-01-2","logHenry":-8.726,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.774,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.45,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.369,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.9,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2439-01-2"}
{"Compound":"8-quinolinol salicylic acid (1:1)","CAS":"2439-07-8","CAS.Checksum":true,"DTXSID":"DTXSID1045081","Formula":"C16H13NO4","All.Compound.Names":"8-quinolinol salicylic acid (1:1)|Dtxsid1045081|2439-07-8","logHenry":-8.31,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7802,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.404,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.437,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.3,"MP.Reference":"EPA-CCD-OPERA","MW":283.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.88","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2439-07-8"}
{"Compound":"2-(dimethylamino)ethyl acrylate","CAS":"2439-35-2","CAS.Checksum":true,"DTXSID":"DTXSID5025100","Formula":"C7H13NO2","All.Compound.Names":"2-(dimethylamino)ethyl acrylate|Dtxsid5025100|2439-35-2","logHenry":-4.592,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.01881,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.722,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.031,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.21,"MP.Reference":"EPA-CCD-OPERA","MW":143.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2439-35-2"}
{"Compound":"N-methyloctan-1-amine","CAS":"2439-54-5","CAS.Checksum":true,"DTXSID":"DTXSID9044619","Formula":"C9H21N","All.Compound.Names":"N-methyloctan-1-amine|Dtxsid9044619|2439-54-5","logHenry":-4.311,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.016,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.177,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.838,"logWSol.Reference":"EPA-CCD-OPERA","MP":-48.07,"MP.Reference":"EPA-CCD-OPERA","MW":143.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2439-54-5"}
{"Compound":"Pinoxaden","CAS":"243973-20-8","CAS.Checksum":true,"DTXSID":"DTXSID8034823","Formula":"C23H32N2O4","All.Compound.Names":"Pinoxaden|Dtxsid8034823|243973-20-8","logHenry":-7.964,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.298,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.416,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.416,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.96,"MP.Reference":"EPA-CCD-OPERA","MW":400.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"243973-20-8"}
{"Compound":"Norharman","CAS":"244-63-3","CAS.Checksum":true,"DTXSID":"DTXSID2021070","Formula":"C11H8N2","All.Compound.Names":"Norharman|Dtxsid2021070|244-63-3","logHenry":-7.178,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.168,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.051,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.989,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.2,"MP.Reference":"EPA-CCD-OPERA","MW":168.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.17","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"244-63-3"}
{"Compound":"2-(2h-benzotriazol-2-yl)-4-methylphenol","CAS":"2440-22-4","CAS.Checksum":true,"DTXSID":"DTXSID1027479","Formula":"C13H11N3O","All.Compound.Names":"2-(2h-benzotriazol-2-yl)-4-methylphenol|Dtxsid1027479|2440-22-4","logHenry":-7.551,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.305,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.496,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.128,"logWSol.Reference":"EPA-CCD-OPERA","MP":132,"MP.Reference":"EPA-CCD-OPERA","MW":225.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2440-22-4"}
{"Compound":"1-methyl-3-propylimidazolium tetrafluoroborate","CAS":"244193-48-4","CAS.Checksum":true,"DTXSID":"DTXSID3049251","Formula":"C7H13BF4N2","All.Compound.Names":"1-methyl-3-propylimidazolium tetrafluoroborate|Dtxsid3049251|244193-48-4","logHenry":-2.053,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6862,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.637,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3461,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.4,"MP.Reference":"EPA-CCD-OPERA","MW":212,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"244193-48-4"}
{"Compound":"1-hexyl-3-methylimidazolium tetrafluoroborate","CAS":"244193-50-8","CAS.Checksum":true,"DTXSID":"DTXSID8049252","Formula":"C10H19BF4N2","All.Compound.Names":"1-hexyl-3-methylimidazolium tetrafluoroborate|Dtxsid8049252|244193-50-8","logHenry":-2.979,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6257,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.182,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.974,"logWSol.Reference":"EPA-CCD-OPERA","MP":144,"MP.Reference":"EPA-CCD-OPERA","MW":254.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"244193-50-8"}
{"Compound":"1-methyl-3-octylimidazolium tetrafluoroborate","CAS":"244193-52-0","CAS.Checksum":true,"DTXSID":"DTXSID6047943","Formula":"C12H23BF4N2","All.Compound.Names":"1-methyl-3-octylimidazolium tetrafluoroborate|Dtxsid6047943|244193-52-0","logHenry":-2.993,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6161,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.645,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.679,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.8,"MP.Reference":"EPA-CCD-OPERA","MW":282.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"244193-52-0"}
{"Compound":"1-decyl-3-methylimidazolium tetrafluoroborate","CAS":"244193-56-4","CAS.Checksum":true,"DTXSID":"DTXSID4047915","Formula":"C14H27BF4N2","All.Compound.Names":"1-decyl-3-methylimidazolium tetrafluoroborate|Dtxsid4047915|244193-56-4","logHenry":-3.737,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6277,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.787,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.233,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.7,"MP.Reference":"EPA-CCD-OPERA","MW":310.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"244193-56-4"}
{"Compound":"1-dodecyl-3-methylimidazolium tetrafluoroborate","CAS":"244193-59-7","CAS.Checksum":true,"DTXSID":"DTXSID3049253","Formula":"C16H31BF4N2","All.Compound.Names":"1-dodecyl-3-methylimidazolium tetrafluoroborate|Dtxsid3049253|244193-59-7","logHenry":-5.592,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6511,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.304,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.408,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.7,"MP.Reference":"EPA-CCD-OPERA","MW":338.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"244193-59-7"}
{"Compound":"1-hexadecyl-3-methylimidazolium tetrafluoroborate","CAS":"244193-64-4","CAS.Checksum":true,"DTXSID":"DTXSID8049254","Formula":"C20H39BF4N2","All.Compound.Names":"1-hexadecyl-3-methylimidazolium tetrafluoroborate|Dtxsid8049254|244193-64-4","logHenry":-6.005,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7047,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.878,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.095,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.6,"MP.Reference":"EPA-CCD-OPERA","MW":394.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"244193-64-4"}
{"Compound":"2-hydroxyfluorene","CAS":"2443-58-5","CAS.Checksum":true,"DTXSID":"DTXSID2047569","Formula":"C13H10O","All.Compound.Names":"2-hydroxyfluorene|Dtxsid2047569|2443-58-5","logHenry":-6.973,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.19,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.399,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.624,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.5,"MP.Reference":"EPA-CCD-OPERA","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2443-58-5"}
{"Compound":"Nonivamide","CAS":"2444-46-4","CAS.Checksum":true,"DTXSID":"DTXSID1034769","Formula":"C17H27NO3","All.Compound.Names":"Nonivamide|N-vanillylnonanamide|Dtxsid1034769|2444-46-4","logHenry":-9.002,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.872,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.409,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.313,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.44,"MP.Reference":"EPA-CCD-OPERA","MW":293.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2444-46-4"}
{"Compound":"5,5-dimethylbarbituric acid","CAS":"24448-94-0","CAS.Checksum":true,"DTXSID":"DTXSID2020509","Formula":"C6H8N2O3","All.Compound.Names":"5,5-dimethylbarbituric acid|Dtxsid2020509|24448-94-0","logHenry":-8.454,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4391,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.6,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.737,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.7,"MP.Reference":"EPA-CCD-OPERA","MW":156.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24448-94-0"}
{"Compound":"Hexyl propanoate","CAS":"2445-76-3","CAS.Checksum":true,"DTXSID":"DTXSID5047582","Formula":"C9H18O2","All.Compound.Names":"Hexyl propanoate|Dtxsid5047582","logHenry":-3.254,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.308,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.144,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.792,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.73,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2445-76-3"}
{"Compound":"2-methylbutyl isovalerate","CAS":"2445-77-4","CAS.Checksum":true,"DTXSID":"DTXSID4041440","Formula":"C10H20O2","All.Compound.Names":"2-methylbutyl isovalerate|Dtxsid4041440","logHenry":-3.258,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.924,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6641,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.236,"logWSol.Reference":"EPA-CCD-OPERA","MP":-70.19,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2445-77-4"}
{"Compound":"Carbonochloridic acid, 2-ethylhexyl ester","CAS":"24468-13-1","CAS.Checksum":true,"DTXSID":"DTXSID2027832","Formula":"C9H17ClO2","All.Compound.Names":"Carbonochloridic acid, 2-ethylhexyl ester|2-ethylhexyl chloroformate|Dtxsid2027832","logHenry":-3.273,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.924,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.283,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.425,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.1,"MP.Reference":"EPA-CCD-OPERA","MW":192.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24468-13-1"}
{"Compound":"Sanguinarine","CAS":"2447-54-3","CAS.Checksum":true,"DTXSID":"DTXSID0045204","Formula":"C20H14NO4","All.Compound.Names":"Sanguinarine|Dtxsid0045204|2447-54-3","logHenry":-4.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.153,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.965,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.423,"logWSol.Reference":"EPA-CCD-OPERA","MP":265.8,"MP.Reference":"EPA-CCD-OPERA","MW":332.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2447-54-3"}
{"Compound":"Sulfadoxine","CAS":"2447-57-6","CAS.Checksum":true,"DTXSID":"DTXSID6023608","Formula":"C12H14N4O4S","All.Compound.Names":"Sulfadoxine|Dtxsid6023608|2447-57-6","logHenry":-10.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7008,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.607,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.064,"logWSol.Reference":"EPA-CCD-OPERA","MP":192,"MP.Reference":"EPA-CCD-OPERA","MW":310.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2447-57-6"}
{"Compound":"Pipamperone dihydrochloride","CAS":"2448-68-2","CAS.Checksum":true,"DTXSID":"DTXSID6046505","Formula":"C21H32Cl2FN3O2","All.Compound.Names":"Pipamperone dihydrochloride|Dtxsid6046505|2448-68-2","logHenry":-8.309,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.415,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.915,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.894,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.6,"MP.Reference":"EPA-CCD-OPERA","MW":448.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2448-68-2"}
{"Compound":"Dibenzyl diazene-1,2-dicarboxylate","CAS":"2449-05-0","CAS.Checksum":true,"DTXSID":"DTXSID3044887","Formula":"C16H14N2O4","All.Compound.Names":"Dibenzyl diazene-1,2-dicarboxylate|Dtxsid3044887|2449-05-0","logHenry":-8.726,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.102,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.471,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.057,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.1,"MP.Reference":"EPA-CCD-OPERA","MW":298.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2449-05-0"}
{"Compound":"2,6-diisopropylaniline","CAS":"24544-04-5","CAS.Checksum":true,"DTXSID":"DTXSID5022279","Formula":"C12H19N","All.Compound.Names":"2,6-diisopropylaniline|Dtxsid5022279|24544-04-5","logHenry":-5.263,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.182,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.318,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.595,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.08,"MP.Reference":"EPA-CCD-OPERA","MW":177.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24544-04-5"}
{"Compound":"2-ethyl-6-methylaniline","CAS":"24549-06-2","CAS.Checksum":true,"DTXSID":"DTXSID7027833","Formula":"C9H13N","All.Compound.Names":"2-ethyl-6-methylaniline|Dtxsid7027833|24549-06-2","logHenry":-5.671,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.234,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.353,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.019,"logWSol.Reference":"EPA-CCD-OPERA","MP":-31.91,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24549-06-2"}
{"Compound":"Tetrahydrofurfuryl methacrylate","CAS":"2455-24-5","CAS.Checksum":true,"DTXSID":"DTXSID0022191","Formula":"C9H14O3","All.Compound.Names":"Tetrahydrofurfuryl methacrylate|Dtxsid0022191","logHenry":-4.491,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.236,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.77,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.39,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.75,"MP.Reference":"EPA-CCD-OPERA","MW":170.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2455-24-5"}
{"Compound":"Barium bis(2-ethylhexanoate)","CAS":"2457-01-4","CAS.Checksum":true,"DTXSID":"DTXSID8044888","Formula":"C16H30BaO4","All.Compound.Names":"Barium bis(2-ethylhexanoate)|Dtxsid8044888|2457-01-4","logHenry":-6.08,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.16,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.162,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.858,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.9,"MP.Reference":"EPA-CCD-OPERA","MW":423.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2457-01-4"}
{"Compound":"Propamocarb","CAS":"24579-73-5","CAS.Checksum":true,"DTXSID":"DTXSID1040295","Formula":"C9H20N2O2","All.Compound.Names":"Propamocarb|Dtxsid1040295|24579-73-5","logHenry":-8.829,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.121,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.255,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6636,"logWSol.Reference":"EPA-CCD-OPERA","MP":91.78,"MP.Reference":"EPA-CCD-OPERA","MW":188.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.99","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24579-73-5"}
{"Compound":"4-hydrazinobenzoic acid hydrochloride","CAS":"24589-77-3","CAS.Checksum":true,"DTXSID":"DTXSID8020709","Formula":"C7H9ClN2O2","All.Compound.Names":"4-hydrazinobenzoic acid hydrochloride|Dtxsid8020709|24589-77-3","logHenry":-9.375,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.366,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.256,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.149,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.1,"MP.Reference":"EPA-CCD-OPERA","MW":188.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24589-77-3"}
{"Compound":"Trimethyl benzene-1,2,4-tricarboxylate","CAS":"2459-10-1","CAS.Checksum":true,"DTXSID":"DTXSID8044620","Formula":"C12H12O6","All.Compound.Names":"Trimethyl benzene-1,2,4-tricarboxylate|Dtxsid8044620","logHenry":-8.693,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.59,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.86,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.323,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.38,"MP.Reference":"EPA-CCD-OPERA","MW":252.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2459-10-1"}
{"Compound":"2,5-di-tert-butylcyclohexa-2,5-diene-1,4-dione","CAS":"2460-77-7","CAS.Checksum":true,"DTXSID":"DTXSID3044889","Formula":"C14H20O2","All.Compound.Names":"2,5-di-tert-butylcyclohexa-2,5-diene-1,4-dione|Dtxsid3044889","logHenry":-3.27,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.263,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.064,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.402,"logWSol.Reference":"EPA-CCD-OPERA","MP":66.08,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2460-77-7"}
{"Compound":"Fominoben hydrochloride","CAS":"24600-36-0","CAS.Checksum":true,"DTXSID":"DTXSID6048759","Formula":"C21H25Cl2N3O3","All.Compound.Names":"Fominoben hydrochloride|Dtxsid6048759|24600-36-0","logHenry":-9.339,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.558,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.708,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.938,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.7,"MP.Reference":"EPA-CCD-OPERA","MW":438.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24600-36-0"}
{"Compound":"2-ethylhexyl glycidyl ether","CAS":"2461-15-6","CAS.Checksum":true,"DTXSID":"DTXSID6025301","Formula":"C11H22O2","All.Compound.Names":"2-ethylhexyl glycidyl ether|Dtxsid6025301","logHenry":-3.112,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.18,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.616,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.347,"logWSol.Reference":"EPA-CCD-OPERA","MP":-60.14,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1,1,1","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"2461-15-6"}
{"Compound":"Dodecyl glycidyl ether","CAS":"2461-18-9","CAS.Checksum":true,"DTXSID":"DTXSID0025494","Formula":"C15H30O2","All.Compound.Names":"Dodecyl glycidyl ether|Dtxsid0025494","logHenry":-5.43,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.848,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.692,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.05,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.24,"MP.Reference":"EPA-CCD-OPERA","MW":242.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2461-18-9"}
{"Compound":"2-carboxyethyl acrylate","CAS":"24615-84-7","CAS.Checksum":true,"DTXSID":"DTXSID2027834","Formula":"C6H8O4","All.Compound.Names":"2-carboxyethyl acrylate|Dtxsid2027834|24615-84-7","logHenry":-7.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.05336,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.681,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5609,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.02,"MP.Reference":"EPA-CCD-OPERA","MW":144.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24615-84-7"}
{"Compound":"Dicapthon","CAS":"2463-84-5","CAS.Checksum":true,"DTXSID":"DTXSID0041850","Formula":"C8H9ClNO5PS","All.Compound.Names":"Dicapthon|Dtxsid0041850|2463-84-5","logHenry":-6.448,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.576,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.945,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.3,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.26,"MP.Reference":"EPA-CCD-OPERA","MW":297.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2463-84-5"}
{"Compound":"2,4-hexadienoic acid, potassium salt, (2e,4e)-","CAS":"24634-61-5","CAS.Checksum":true,"DTXSID":"DTXSID7027835","Formula":"C6H7KO2","All.Compound.Names":"2,4-hexadienoic acid, potassium salt, (2e,4e)-|Potassium (e,e)-hexa-2,4-dienoate|Dtxsid7027835|24634-61-5","logHenry":-6.177,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.787,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.599,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.704,"logWSol.Reference":"EPA-CCD-OPERA","MP":223,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24634-61-5"}
{"Compound":"Oxypurinol","CAS":"2465-59-0","CAS.Checksum":true,"DTXSID":"DTXSID4035209","Formula":"C5H4N4O2","All.Compound.Names":"Oxypurinol|Dtxsid4035209|2465-59-0","logHenry":-8.732,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.429,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.753,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.481,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.4,"MP.Reference":"EPA-CCD-OPERA","MW":152.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.81","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2465-59-0"}
{"Compound":"2,2-dimethoxy-1,2-diphenylethanone","CAS":"24650-42-8","CAS.Checksum":true,"DTXSID":"DTXSID7037715","Formula":"C16H16O3","All.Compound.Names":"2,2-dimethoxy-1,2-diphenylethanone|Dtxsid7037715","logHenry":-7.992,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.683,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.944,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.926,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.46,"MP.Reference":"EPA-CCD-OPERA","MW":256.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24650-42-8"}
{"Compound":"Lenperone","CAS":"24678-13-5","CAS.Checksum":true,"DTXSID":"DTXSID7046120","Formula":"C22H23F2NO2","All.Compound.Names":"Lenperone|Dtxsid7046120|24678-13-5","logHenry":-7.393,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.317,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.379,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.358,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.1,"MP.Reference":"EPA-CCD-OPERA","MW":371.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24678-13-5"}
{"Compound":"2-isobutyl-3-methoxypyrazine","CAS":"24683-00-9","CAS.Checksum":true,"DTXSID":"DTXSID9051907","Formula":"C9H14N2O","All.Compound.Names":"2-isobutyl-3-methoxypyrazine|Dtxsid9051907|24683-00-9","logHenry":-4.312,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.89,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.665,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.489,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.58,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24683-00-9"}
{"Compound":"3,3'-(1,1,3,3-tetramethyldisiloxane-1,3-diyl)dipropan-1-amine","CAS":"2469-55-8","CAS.Checksum":true,"DTXSID":"DTXSID3044621","Formula":"C10H28N2OSi2","All.Compound.Names":"3,3'-(1,1,3,3-tetramethyldisiloxane-1,3-diyl)dipropan-1-amine|Dtxsid3044621|2469-55-8","logHenry":-6.143,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.904,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.019,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.99,"logWSol.Reference":"EPA-CCD-OPERA","MP":-24.59,"MP.Reference":"EPA-CCD-OPERA","MW":248.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2469-55-8"}
{"Compound":"Clindamycin phosphate","CAS":"24729-96-2","CAS.Checksum":true,"DTXSID":"DTXSID1048677","Formula":"C18H34ClN2O8PS","All.Compound.Names":"Clindamycin phosphate|Dtxsid1048677|24729-96-2","logHenry":-10.72,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.265,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.239,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.887,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.2,"MP.Reference":"EPA-CCD-OPERA","MW":505,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24729-96-2"}
{"Compound":"Nonane,1-chloro-","CAS":"2473-01-0","CAS.Checksum":true,"DTXSID":"DTXSID3049255","Formula":"C9H19Cl","All.Compound.Names":"Nonane,1-chloro-|1-chlorononane|Dtxsid3049255","logHenry":-2.777,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.222,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2523,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.689,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.48,"MP.Reference":"EPA-CCD-OPERA","MW":162.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2473-01-0"}
{"Compound":"Aluminum butan-2-olate (2z)-4-ethoxy-4-oxobut-2-en-2-olate (1:2:1)","CAS":"24772-51-8","CAS.Checksum":true,"DTXSID":"DTXSID8044622","Formula":"C14H27AlO5","All.Compound.Names":"Aluminum butan-2-olate (2z)-4-ethoxy-4-oxobut-2-en-2-olate (1:2:1)","MW":302.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24772-51-8"}
{"Compound":"4-hydroxybutyl prop-2-enoate","CAS":"2478-10-6","CAS.Checksum":true,"DTXSID":"DTXSID3044623","Formula":"C7H12O3","All.Compound.Names":"4-hydroxybutyl prop-2-enoate|Dtxsid3044623|2478-10-6","logHenry":-7.274,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3991,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.578,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5016,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.46,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2478-10-6"}
{"Compound":"1,3-bis(4-aminophenoxy)benzene","CAS":"2479-46-1","CAS.Checksum":true,"DTXSID":"DTXSID8051914","Formula":"C18H16N2O2","All.Compound.Names":"1,3-bis(4-aminophenoxy)benzene|1,3-phenylenedi(4-aminophenyl ether)|Dtxsid8051914|2479-46-1","logHenry":-7.55,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.56,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.809,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.742,"logWSol.Reference":"EPA-CCD-OPERA","MP":258.1,"MP.Reference":"EPA-CCD-OPERA","MW":292.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2479-46-1"}
{"Compound":"Tripropylene glycol","CAS":"24800-44-0","CAS.Checksum":true,"DTXSID":"DTXSID7027837","Formula":"C9H20O4","All.Compound.Names":"Tripropylene glycol","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24800-44-0"}
{"Compound":"Silane, triethoxy(3-isocyanatopropyl)-","CAS":"24801-88-5","CAS.Checksum":true,"DTXSID":"DTXSID4038847","Formula":"C10H21NO4Si","All.Compound.Names":"Silane, triethoxy(3-isocyanatopropyl)-|(3-isocyanatopropyl)triethoxysilane|Dtxsid4038847|24801-88-5","logHenry":-6.254,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.798,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.378,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.286,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.15,"MP.Reference":"EPA-CCD-OPERA","MW":247.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24801-88-5"}
{"Compound":"C.i. solvent yellow 56","CAS":"2481-94-9","CAS.Checksum":true,"DTXSID":"DTXSID8041745","Formula":"C16H19N3","All.Compound.Names":"C.i. solvent yellow 56|Dtxsid8041745|2481-94-9","logHenry":-5.29,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.672,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.671,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.118,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.62,"MP.Reference":"EPA-CCD-OPERA","MW":253.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.52","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2481-94-9"}
{"Compound":"Rescinnamine","CAS":"24815-24-5","CAS.Checksum":true,"DTXSID":"DTXSID3023554","Formula":"C35H42N2O9","All.Compound.Names":"Rescinnamine|Dtxsid3023554|24815-24-5","logHenry":-7.879,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.786,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.591,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.997,"logWSol.Reference":"EPA-CCD-OPERA","MP":243.4,"MP.Reference":"EPA-CCD-OPERA","MW":634.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24815-24-5"}
{"Compound":"2-phenylethyl 2-methylbutanoate","CAS":"24817-51-4","CAS.Checksum":true,"DTXSID":"DTXSID2047567","Formula":"C13H18O2","All.Compound.Names":"2-phenylethyl 2-methylbutanoate|Dtxsid2047567","logHenry":-4.197,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.454,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.264,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.7,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.16,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24817-51-4"}
{"Compound":"Methyl dihydrojasmonate","CAS":"24851-98-7","CAS.Checksum":true,"DTXSID":"DTXSID2029325","Formula":"C13H22O3","All.Compound.Names":"Methyl dihydrojasmonate|Dtxsid2029325","logHenry":-6.616,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.564,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.762,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.906,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.93,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24851-98-7"}
{"Compound":"Pipofezine","CAS":"24886-52-0","CAS.Checksum":true,"DTXSID":"DTXSID5046271","Formula":"C16H19N5O","All.Compound.Names":"Pipofezine|Dtxsid5046271|24886-52-0","logHenry":-5.544,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.047,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.809,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.395,"logWSol.Reference":"EPA-CCD-OPERA","MP":119.3,"MP.Reference":"EPA-CCD-OPERA","MW":297.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24886-52-0"}
{"Compound":"1,1,3-trimethyl-2-thiourea","CAS":"2489-77-2","CAS.Checksum":true,"DTXSID":"DTXSID6021404","Formula":"C4H10N2S","All.Compound.Names":"1,1,3-trimethyl-2-thiourea|Dtxsid6021404|2489-77-2","logHenry":-8.451,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.09913,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.656,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.027,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.12,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2489-77-2"}
{"Compound":"Nalpha-acetyl-l-glutamine","CAS":"2490-97-3","CAS.Checksum":true,"DTXSID":"DTXSID2048959","Formula":"C7H12N2O4","All.Compound.Names":"Nalpha-acetyl-l-glutamine|N2-acetyl-l-glutamine|Dtxsid2048959|2490-97-3","logHenry":-10.97,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.068,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.39,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.068,"logWSol.Reference":"EPA-CCD-OPERA","MP":197,"MP.Reference":"EPA-CCD-OPERA","MW":188.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2490-97-3"}
{"Compound":"2-bromo-4-hydroxyacetophenone","CAS":"2491-38-5","CAS.Checksum":true,"DTXSID":"DTXSID4034576","Formula":"C8H7BrO2","All.Compound.Names":"2-bromo-4-hydroxyacetophenone|Dtxsid4034576|2491-38-5","logHenry":-8.694,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.571,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.975,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.702,"logWSol.Reference":"EPA-CCD-OPERA","MP":91.99,"MP.Reference":"EPA-CCD-OPERA","MW":215,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2491-38-5"}
{"Compound":"Spiramycin ii","CAS":"24916-51-6","CAS.Checksum":true,"DTXSID":"DTXSID4023595","Formula":"C45H76N2O15","All.Compound.Names":"Spiramycin ii|Dtxsid4023595|24916-51-6","logHenry":-10.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.287,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.323,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.656,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.5,"MP.Reference":"EPA-CCD-OPERA","MW":885.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24916-51-6"}
{"Compound":"4-octyloxybenzoic acid","CAS":"2493-84-7","CAS.Checksum":true,"DTXSID":"DTXSID1025807","Formula":"C15H22O3","All.Compound.Names":"4-octyloxybenzoic acid|Dtxsid1025807|2493-84-7","logHenry":-8.125,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.131,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.776,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.003,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.3,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2493-84-7"}
{"Compound":"Chlormephos","CAS":"24934-91-6","CAS.Checksum":true,"DTXSID":"DTXSID1037511","Formula":"C5H12ClO2PS2","All.Compound.Names":"Chlormephos|Dtxsid1037511","logHenry":-6.597,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.085,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.292,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.589,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.2,"MP.Reference":"EPA-CCD-OPERA","MW":234.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24934-91-6"}
{"Compound":"Tridecyl methacrylate","CAS":"2495-25-2","CAS.Checksum":true,"DTXSID":"DTXSID8029236","Formula":"C17H32O2","All.Compound.Names":"Tridecyl methacrylate|Dtxsid8029236","logHenry":-6.402,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.751,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.128,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.997,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.78,"MP.Reference":"EPA-CCD-OPERA","MW":268.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2495-25-2"}
{"Compound":"Benzyl methacrylate","CAS":"2495-37-6","CAS.Checksum":true,"DTXSID":"DTXSID0022193","Formula":"C11H12O2","All.Compound.Names":"Benzyl methacrylate|Dtxsid0022193","logHenry":-4.317,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.531,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.27,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.716,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.253,"MP.Reference":"EPA-CCD-OPERA","MW":176.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2495-37-6"}
{"Compound":"2-propene-1-sulfonic acid, sodium salt","CAS":"2495-39-8","CAS.Checksum":true,"DTXSID":"DTXSID3041451","Formula":"C3H5NaO3S","All.Compound.Names":"2-propene-1-sulfonic acid, sodium salt|Dtxsid3041451|2495-39-8","logHenry":-7.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.325,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.974,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5863,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.45,"MP.Reference":"EPA-CCD-OPERA","MW":144.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2495-39-8"}
{"Compound":"Disulfoton sulfone","CAS":"2497-06-5","CAS.Checksum":true,"DTXSID":"DTXSID8041901","Formula":"C8H19O4PS3","All.Compound.Names":"Disulfoton sulfone|Dtxsid8041901","logHenry":-6.356,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.87,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.727,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.54,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.59,"MP.Reference":"EPA-CCD-OPERA","MW":306.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2497-06-5"}
{"Compound":"4-hexen-3-one","CAS":"2497-21-4","CAS.Checksum":true,"DTXSID":"DTXSID4047670","Formula":"C6H10O","All.Compound.Names":"4-hexen-3-one|Dtxsid4047670","logHenry":-4.706,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.014,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.375,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.712,"logWSol.Reference":"EPA-CCD-OPERA","MP":-64.06,"MP.Reference":"EPA-CCD-OPERA","MW":98.14,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2497-21-4"}
{"Compound":"2,5-dimethoxyamphetamine hydrochloride","CAS":"24973-25-9","CAS.Checksum":true,"DTXSID":"DTXSID6048886","Formula":"C11H18ClNO2","All.Compound.Names":"2,5-dimethoxyamphetamine hydrochloride|Dtxsid6048886|24973-25-9","logHenry":-8.469,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5178,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.153,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.643,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.4,"MP.Reference":"EPA-CCD-OPERA","MW":231.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24973-25-9"}
{"Compound":"Octyl prop-2-enoate","CAS":"2499-59-4","CAS.Checksum":true,"DTXSID":"DTXSID8044624","Formula":"C11H20O2","All.Compound.Names":"Octyl prop-2-enoate|Dtxsid8044624","logHenry":-3.733,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.199,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.658,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.882,"logWSol.Reference":"EPA-CCD-OPERA","MP":-55.49,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2499-59-4"}
{"Compound":"Hexyl acrylate","CAS":"2499-95-8","CAS.Checksum":true,"DTXSID":"DTXSID5022194","Formula":"C9H16O2","All.Compound.Names":"Hexyl acrylate|Dtxsid5022194","logHenry":-3.263,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.328,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9954,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.57,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.51,"MP.Reference":"EPA-CCD-OPERA","MW":156.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2499-95-8"}
{"Compound":"Vinyltoluene","CAS":"25013-15-4","CAS.Checksum":true,"DTXSID":"DTXSID6026292","All.Compound.Names":"Vinyltoluene","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25013-15-4"}
{"Compound":"Butylated hydroxyanisole","CAS":"25013-16-5","CAS.Checksum":true,"DTXSID":"DTXSID7020215","Formula":"C11H16O2","All.Compound.Names":"Butylated hydroxyanisole","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25013-16-5"}
{"Compound":"Glisoxepide","CAS":"25046-79-1","CAS.Checksum":true,"DTXSID":"DTXSID9023097","Formula":"C20H27N5O5S","All.Compound.Names":"Glisoxepide|Dtxsid9023097|25046-79-1","logHenry":-10.05,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9276,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.479,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.072,"logWSol.Reference":"EPA-CCD-OPERA","MP":189,"MP.Reference":"EPA-CCD-OPERA","MW":449.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25046-79-1"}
{"Compound":"Benazolin-ethyl","CAS":"25059-80-7","CAS.Checksum":true,"DTXSID":"DTXSID7041621","Formula":"C11H10ClNO3S","All.Compound.Names":"Benazolin-ethyl|Dtxsid7041621|25059-80-7","logHenry":-7.621,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.499,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.125,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.759,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.31,"MP.Reference":"EPA-CCD-OPERA","MW":271.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25059-80-7"}
{"Compound":"Estriol benzoate diacetate","CAS":"2508-47-6","CAS.Checksum":true,"DTXSID":"DTXSID8057697","Formula":"C29H32O6","All.Compound.Names":"Estriol benzoate diacetate|(16alpha, 17beta)-estra-1,3,5(10)-triene-3,16,17-triol 16,17-diacetate 3-benzoate|Dtxsid8057697","logHenry":-6.69,"logHenry.Reference":"OPERA29","logP":4.24,"logP.Reference":"OPERA29","logWSol":-5.42,"logWSol.Reference":"OPERA29","MP":215,"MP.Reference":"OPERA29","MW":476.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2508-47-6"}
{"Compound":"Antazoline hydrochloride","CAS":"2508-72-7","CAS.Checksum":true,"DTXSID":"DTXSID1047782","Formula":"C17H20ClN3","All.Compound.Names":"Antazoline hydrochloride|Dtxsid1047782|2508-72-7","logHenry":-9.434,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6399,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.04,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.601,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.9,"MP.Reference":"EPA-CCD-OPERA","MW":301.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2508-72-7"}
{"Compound":"Methyldopate hydrochloride","CAS":"2508-79-4","CAS.Checksum":true,"DTXSID":"DTXSID1045370","Formula":"C12H18ClNO4","All.Compound.Names":"Methyldopate hydrochloride|Dtxsid1045370|2508-79-4","logHenry":-8.938,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.111,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.64,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.689,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.8,"MP.Reference":"EPA-CCD-OPERA","MW":275.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.5","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2508-79-4"}
{"Compound":"9-cyanophenanthrene","CAS":"2510-55-6","CAS.Checksum":true,"DTXSID":"DTXSID8049256","Formula":"C15H9N","All.Compound.Names":"9-cyanophenanthrene|Dtxsid8049256","logHenry":-4.067,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.595,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.047,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.865,"logWSol.Reference":"EPA-CCD-OPERA","MP":115.6,"MP.Reference":"EPA-CCD-OPERA","MW":203.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2510-55-6"}
{"Compound":"Acetic acid, mercapto-, isooctyl ester","CAS":"25103-09-7","CAS.Checksum":true,"DTXSID":"DTXSID1027841","All.Compound.Names":"Acetic acid, mercapto-, isooctyl ester|Isooctyl 2-mercaptoacetate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25103-09-7"}
{"Compound":"Tert-dodecanethiol","CAS":"25103-58-6","CAS.Checksum":true,"DTXSID":"DTXSID1025221","Formula":"C12H26S","All.Compound.Names":"Tert-dodecanethiol|Dtxsid1025221|25103-58-6","logHenry":-1.691,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.817,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.024,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.395,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.79,"MP.Reference":"EPA-CCD-OPERA","MW":202.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25103-58-6"}
{"Compound":"Clobetasol","CAS":"25122-41-2","CAS.Checksum":true,"DTXSID":"DTXSID2048955","Formula":"C22H28ClFO4","All.Compound.Names":"Clobetasol|Dtxsid2048955|25122-41-2","logHenry":-10.22,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.479,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.967,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.11,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.4,"MP.Reference":"EPA-CCD-OPERA","MW":410.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25122-41-2"}
{"Compound":"Clobetasol propionate","CAS":"25122-46-7","CAS.Checksum":true,"DTXSID":"DTXSID6045907","Formula":"C25H32ClFO5","All.Compound.Names":"Clobetasol propionate|Dtxsid6045907|25122-46-7","logHenry":-10.14,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.5,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.799,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.767,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.4,"MP.Reference":"EPA-CCD-OPERA","MW":467,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25122-46-7"}
{"Compound":"Clobetasone butyrate","CAS":"25122-57-0","CAS.Checksum":true,"DTXSID":"DTXSID3046823","Formula":"C26H32ClFO5","All.Compound.Names":"Clobetasone butyrate|Dtxsid3046823","logHenry":-7.638,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.758,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.926,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.789,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.19,"MP.Reference":"EPA-CCD-OPERA","MW":479,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25122-57-0"}
{"Compound":"Sincalide","CAS":"25126-32-3","CAS.Checksum":true,"DTXSID":"DTXSID7048617","Formula":"C49H62N10O16S3","All.Compound.Names":"Sincalide|Dtxsid7048617|25126-32-3","logHenry":-10.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.386,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.246,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9756,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.3,"MP.Reference":"EPA-CCD-OPERA","MW":1143,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25126-32-3"}
{"Compound":"(e,e)-2,4-decadienal","CAS":"25152-84-5","CAS.Checksum":true,"DTXSID":"DTXSID6024911","Formula":"C10H16O","All.Compound.Names":"(e,e)-2,4-decadienal|Dtxsid6024911","logHenry":-3.322,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.494,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.567,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.693,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.73,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25152-84-5"}
{"Compound":"(3z)-hex-3-en-1-yl benzoate","CAS":"25152-85-6","CAS.Checksum":true,"DTXSID":"DTXSID3047554","Formula":"C13H16O2","All.Compound.Names":"(3z)-hex-3-en-1-yl benzoate|Dtxsid3047554","logHenry":-4.61,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.35,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.554,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.612,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.249,"MP.Reference":"EPA-CCD-OPERA","MW":204.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25152-85-6"}
{"Compound":"Methylbenzethonium chloride","CAS":"25155-18-4","CAS.Checksum":true,"DTXSID":"DTXSID4035708","Formula":"C28H44ClNO2","All.Compound.Names":"Methylbenzethonium chloride","MW":462.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25155-18-4"}
{"Compound":"Txp","CAS":"25155-23-1","CAS.Checksum":true,"DTXSID":"DTXSID9026267","All.Compound.Names":"Txp|Trixylyl phosphate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25155-23-1"}
{"Compound":"Sodium dodecylbenzenesulfonate","CAS":"25155-30-0","CAS.Checksum":true,"DTXSID":"DTXSID7025219","All.Compound.Names":"Sodium dodecylbenzenesulfonate","logHenry":0.89,"logHenry.Reference":"OPERA29","logP":6.1,"logP.Reference":"OPERA29","logWSol":-7.66,"logWSol.Reference":"OPERA29","MP":-10,"MP.Reference":"OPERA29","MW":170.2,"MW.Reference":"OPERA29","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25155-30-0"}
{"Compound":"2-bromobenzothiazole","CAS":"2516-40-7","CAS.Checksum":true,"DTXSID":"DTXSID2021498","Formula":"C7H4BrNS","All.Compound.Names":"2-bromobenzothiazole|Dtxsid2021498|2516-40-7","logHenry":-4.922,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.329,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.232,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.67,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.52,"MP.Reference":"EPA-CCD-OPERA","MW":214.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2516-40-7"}
{"Compound":"D-nicotine","CAS":"25162-00-9","CAS.Checksum":true,"DTXSID":"DTXSID0046351","Formula":"C10H14N2","All.Compound.Names":"D-nicotine|Dtxsid0046351|25162-00-9","logHenry":-4.559,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.171,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.635,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7891,"logWSol.Reference":"EPA-CCD-OPERA","MP":-78.67,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25162-00-9"}
{"Compound":"2,4,4-trimethylpentene","CAS":"25167-70-8","CAS.Checksum":true,"DTXSID":"DTXSID5027851","All.Compound.Names":"2,4,4-trimethylpentene","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25167-70-8"}
{"Compound":"Chlorotoluene","CAS":"25168-05-2","CAS.Checksum":true,"DTXSID":"DTXSID0027852","All.Compound.Names":"Chlorotoluene","logHenry":-2.18,"logHenry.Reference":"OPERA29","logP":2.73,"logP.Reference":"OPERA29","logWSol":-2.23,"logWSol.Reference":"OPERA29","MP":-93,"MP.Reference":"OPERA29","MW":92.06,"MW.Reference":"OPERA29","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25168-05-2"}
{"Compound":"2,4-d isooctyl ester","CAS":"25168-26-7","CAS.Checksum":true,"DTXSID":"DTXSID0020444","All.Compound.Names":"2,4-d isooctyl ester","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25168-26-7"}
{"Compound":"3-methoxybutan-1-ol","CAS":"2517-43-3","CAS.Checksum":true,"DTXSID":"DTXSID0044812","Formula":"C5H12O2","All.Compound.Names":"3-methoxybutan-1-ol|Dtxsid0044812|2517-43-3","logHenry":-6.126,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2829,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.981,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.515,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.553,"MP.Reference":"EPA-CCD-OPERA","MW":104.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"13.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2517-43-3"}
{"Compound":"N,n-bis(2-hydroxyethyl)formamide","CAS":"25209-66-9","CAS.Checksum":true,"DTXSID":"DTXSID3044625","Formula":"C5H11NO3","All.Compound.Names":"N,n-bis(2-hydroxyethyl)formamide|Dtxsid3044625|25209-66-9","logHenry":-8.529,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.044,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.848,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8939,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.066,"MP.Reference":"EPA-CCD-OPERA","MW":133.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25209-66-9"}
{"Compound":"Etidronic acid monohydrate","CAS":"25211-86-3","CAS.Checksum":true,"DTXSID":"DTXSID8040800","Formula":"C2H10O8P2","All.Compound.Names":"Etidronic acid monohydrate|Dtxsid8040800|25211-86-3","logHenry":-8.619,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3584,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.823,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5243,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.3,"MP.Reference":"EPA-CCD-OPERA","MW":224,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25211-86-3"}
{"Compound":"O,o-dimethyl chlorothiophosphate","CAS":"2524-03-0","CAS.Checksum":true,"DTXSID":"DTXSID0027486","Formula":"C2H6ClO2PS","All.Compound.Names":"O,o-dimethyl chlorothiophosphate|Dimethyl chlorothiophosphate|Dtxsid0027486","logHenry":-7.612,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9888,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.999,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4204,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.8541,"MP.Reference":"EPA-CCD-OPERA","MW":160.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2524-03-0"}
{"Compound":"O,o-diethyl chlorothiophosphate","CAS":"2524-04-1","CAS.Checksum":true,"DTXSID":"DTXSID5027487","Formula":"C4H10ClO2PS","All.Compound.Names":"O,o-diethyl chlorothiophosphate|Dtxsid5027487","logHenry":-7.025,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.567,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.198,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.681,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.22,"MP.Reference":"EPA-CCD-OPERA","MW":188.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2524-04-1"}
{"Compound":"Diphenyl phosphorochloridate","CAS":"2524-64-3","CAS.Checksum":true,"DTXSID":"DTXSID2044892","Formula":"C12H10ClO3P","All.Compound.Names":"Diphenyl phosphorochloridate|Dtxsid2044892","logHenry":-5.608,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.304,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.533,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.772,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.17,"MP.Reference":"EPA-CCD-OPERA","MW":268.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2524-64-3"}
{"Compound":"Dipropylene glycol","CAS":"25265-71-8","CAS.Checksum":true,"DTXSID":"DTXSID0027856","Formula":"C6H14O3","All.Compound.Names":"Dipropylene glycol","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25265-71-8"}
{"Compound":"2,2,4-trimethyl-1,3-pentanediol monoisobutyrate","CAS":"25265-77-4","CAS.Checksum":true,"DTXSID":"DTXSID5027857","Formula":"C8H16","All.Compound.Names":"2,2,4-trimethyl-1,3-pentanediol monoisobutyrate|Texanol","MW":112.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25265-77-4"}
{"Compound":"Flurogestone acetate","CAS":"2529-45-5","CAS.Checksum":true,"DTXSID":"DTXSID6046210","Formula":"C23H31FO5","All.Compound.Names":"Flurogestone acetate|Dtxsid6046210|2529-45-5","logHenry":-10.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.97,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.451,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.441,"logWSol.Reference":"EPA-CCD-OPERA","MP":267.3,"MP.Reference":"EPA-CCD-OPERA","MW":406.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2529-45-5"}
{"Compound":"Phthalazine","CAS":"253-52-1","CAS.Checksum":true,"DTXSID":"DTXSID9049407","Formula":"C8H6N2","All.Compound.Names":"Phthalazine|Dtxsid9049407|253-52-1","logHenry":-6.353,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5723,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.507,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4178,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.9,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"253-52-1"}
{"Compound":"Trimethoxy[3-(oxiran-2-ylmethoxy)propyl]silane","CAS":"2530-83-8","CAS.Checksum":true,"DTXSID":"DTXSID5027489","Formula":"C9H20O5Si","All.Compound.Names":"Trimethoxy[3-(oxiran-2-ylmethoxy)propyl]silane|Dtxsid5027489","logHenry":-6.233,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.339,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.501,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7164,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.58,"MP.Reference":"EPA-CCD-OPERA","MW":236.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2530-83-8"}
{"Compound":"3-(trimethoxysilyl)propyl methacrylate","CAS":"2530-85-0","CAS.Checksum":true,"DTXSID":"DTXSID3029237","Formula":"C10H20O5Si","All.Compound.Names":"3-(trimethoxysilyl)propyl methacrylate|Dtxsid3029237","logHenry":-7.612,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.711,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.032,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.336,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.38,"MP.Reference":"EPA-CCD-OPERA","MW":248.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2530-85-0"}
{"Compound":"(3-chloropropyl)trimethoxysilane","CAS":"2530-87-2","CAS.Checksum":true,"DTXSID":"DTXSID4027490","Formula":"C6H15ClO3Si","All.Compound.Names":"(3-chloropropyl)trimethoxysilane|Dtxsid4027490","logHenry":-4.048,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.912,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.604,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.318,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.2183,"MP.Reference":"EPA-CCD-OPERA","MW":198.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2530-87-2"}
{"Compound":"2-methyl phenanthrene","CAS":"2531-84-2","CAS.Checksum":true,"DTXSID":"DTXSID1025649","Formula":"C15H12","All.Compound.Names":"2-methyl phenanthrene|2-methylphenanthrene|Dtxsid1025649","logHenry":-4.441,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.874,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.54,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.281,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.3,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2531-84-2"}
{"Compound":"Diisopropylbenzene","CAS":"25321-09-9","CAS.Checksum":true,"DTXSID":"DTXSID0027858","Formula":"C12H18","All.Compound.Names":"Diisopropylbenzene","MW":162.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25321-09-9"}
{"Compound":"Polypropylene glycol","CAS":"25322-69-4","CAS.Checksum":true,"DTXSID":"DTXSID9027863","Formula":"(C3H6O)nHO","All.Compound.Names":"Polypropylene glycol","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25322-69-4"}
{"Compound":"Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-(2-propenyloxy)-","CAS":"25327-89-3","CAS.Checksum":true,"DTXSID":"DTXSID2029327","Formula":"C21H20Br4O2","All.Compound.Names":"Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-(2-propenyloxy)-|Tetrabromobisphenol a diallyl ether|Dtxsid2029327","logHenry":-1.965,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.508,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.175,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.983,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.9,"MP.Reference":"EPA-CCD-OPERA","MW":624,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25327-89-3"}
{"Compound":"Trazodone hydrochloride","CAS":"25332-39-2","CAS.Checksum":true,"DTXSID":"DTXSID8044626","Formula":"C19H23Cl2N5O","All.Compound.Names":"Trazodone hydrochloride|Dtxsid8044626|25332-39-2","logHenry":-7.925,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.615,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.09,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.034,"logWSol.Reference":"EPA-CCD-OPERA","MP":117.4,"MP.Reference":"EPA-CCD-OPERA","MW":408.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25332-39-2"}
{"Compound":"Isocetyl stearate","CAS":"25339-09-7","CAS.Checksum":true,"DTXSID":"DTXSID4047179","All.Compound.Names":"Isocetyl stearate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25339-09-7"}
{"Compound":"Diethylbenzene","CAS":"25340-17-4","CAS.Checksum":true,"DTXSID":"DTXSID4027866","Formula":"C10H14","All.Compound.Names":"Diethylbenzene","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25340-17-4"}
{"Compound":"2-hexyldecanoic acid","CAS":"25354-97-6","CAS.Checksum":true,"DTXSID":"DTXSID7044893","Formula":"C16H32O2","All.Compound.Names":"2-hexyldecanoic acid|Dtxsid7044893|25354-97-6","logHenry":-7.655,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.903,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.901,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.952,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.98,"MP.Reference":"EPA-CCD-OPERA","MW":256.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25354-97-6"}
{"Compound":"Tert-nonanethiol","CAS":"25360-10-5","CAS.Checksum":true,"DTXSID":"DTXSID4027868","All.Compound.Names":"Tert-nonanethiol","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25360-10-5"}
{"Compound":"1-[2-(trifluoromethyl)phenyl]-1h-imidazole","CAS":"25371-96-4","CAS.Checksum":true,"DTXSID":"DTXSID9045217","Formula":"C10H7F3N2","All.Compound.Names":"1-[2-(trifluoromethyl)phenyl]-1h-imidazole|1-(2-trifluoromethylphenyl)imidazole|Dtxsid9045217|25371-96-4","logHenry":-5.278,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.435,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.136,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.543,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.63,"MP.Reference":"EPA-CCD-OPERA","MW":212.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.11","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25371-96-4"}
{"Compound":"3-(dodecenyl)dihydro-2,5-furandione","CAS":"25377-73-5","CAS.Checksum":true,"DTXSID":"DTXSID8027870","All.Compound.Names":"3-(dodecenyl)dihydro-2,5-furandione","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25377-73-5"}
{"Compound":"N,n-dimethyl-2-(2-phenylacetamido)acetamide","CAS":"25439-20-7","CAS.Checksum":true,"DTXSID":"DTXSID9048851","Formula":"C12H16N2O2","All.Compound.Names":"N,n-dimethyl-2-(2-phenylacetamido)acetamide|Dtxsid9048851|25439-20-7","logHenry":-9.212,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.076,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.139,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.668,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.5,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25439-20-7"}
{"Compound":"Dihydroergocriptine","CAS":"25447-66-9","CAS.Checksum":true,"DTXSID":"DTXSID5048689","Formula":"C32H43N5O5","All.Compound.Names":"Dihydroergocriptine|Dihydroergocryptine|Dtxsid5048689|25447-66-9","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.683,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.877,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.705,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.8,"MP.Reference":"EPA-CCD-OPERA","MW":577.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25447-66-9"}
{"Compound":"2,4,5-t-butotyl","CAS":"2545-59-7","CAS.Checksum":true,"DTXSID":"DTXSID3041328","Formula":"C14H17Cl3O4","All.Compound.Names":"2,4,5-t-butotyl|Dtxsid3041328","logHenry":-7.07,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.697,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.921,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.645,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.39,"MP.Reference":"EPA-CCD-OPERA","MW":355.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2545-59-7"}
{"Compound":"Felbamate","CAS":"25451-15-4","CAS.Checksum":true,"DTXSID":"DTXSID9023041","Formula":"C11H14N2O4","All.Compound.Names":"Felbamate|25451-15-4|Dtxsid9023041","logHenry":-9.28,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.849,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.174,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.588,"logWSol.Reference":"EPA-CCD-OPERA","MP":152,"MP.Reference":"EPA-CCD-OPERA","MW":238.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"25451-15-4"}
{"Compound":"Ataciguat","CAS":"254877-67-3","CAS.Checksum":true,"DTXSID":"DTXSID7048746","Formula":"C21H19Cl2N3O6S3","All.Compound.Names":"Ataciguat|Dtxsid7048746|254877-67-3","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.105,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.614,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.419,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.3,"MP.Reference":"EPA-CCD-OPERA","MW":576.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"254877-67-3"}
{"Compound":"Glyceryl monooleate","CAS":"25496-72-4","CAS.Checksum":true,"DTXSID":"DTXSID3027875","All.Compound.Names":"Glyceryl monooleate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25496-72-4"}
{"Compound":"Tripropylene glycol monomethyl ether","CAS":"25498-49-1","CAS.Checksum":true,"DTXSID":"DTXSID2029329","All.Compound.Names":"Tripropylene glycol monomethyl ether","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25498-49-1"}
{"Compound":"Benzylacetone","CAS":"2550-26-7","CAS.Checksum":true,"DTXSID":"DTXSID6033241","Formula":"C10H12O","All.Compound.Names":"Benzylacetone|Dtxsid6033241","logHenry":-4.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.381,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.878,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.871,"logWSol.Reference":"EPA-CCD-OPERA","MP":-12.21,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2550-26-7"}
{"Compound":"Dicyclohexyl disulfide","CAS":"2550-40-5","CAS.Checksum":true,"DTXSID":"DTXSID4047628","Formula":"C12H22S2","All.Compound.Names":"Dicyclohexyl disulfide|Dtxsid4047628","logHenry":-3.38,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.738,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.591,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.775,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.77,"MP.Reference":"EPA-CCD-OPERA","MW":230.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2550-40-5"}
{"Compound":"Clindamycin palmitate hydrochloride","CAS":"25507-04-4","CAS.Checksum":true,"DTXSID":"DTXSID3048734","Formula":"C34H64Cl2N2O6S","All.Compound.Names":"Clindamycin palmitate hydrochloride|Dtxsid3048734|25507-04-4","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.134,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.412,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.416,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.7,"MP.Reference":"EPA-CCD-OPERA","MW":699.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25507-04-4"}
{"Compound":"Alovudine","CAS":"25526-93-6","CAS.Checksum":true,"DTXSID":"DTXSID4046579","Formula":"C10H13FN2O4","All.Compound.Names":"Alovudine|Dtxsid4046579|25526-93-6","logHenry":-8.765,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2835,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.335,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9808,"logWSol.Reference":"EPA-CCD-OPERA","MP":177,"MP.Reference":"EPA-CCD-OPERA","MW":244.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25526-93-6"}
{"Compound":"1,3,5,7-tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane","CAS":"2554-06-5","CAS.Checksum":true,"DTXSID":"DTXSID3038808","Formula":"C12H24O4Si4","All.Compound.Names":"1,3,5,7-tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane|Dtxsid3038808","logHenry":0.9993,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.703,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.932,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.525,"logWSol.Reference":"EPA-CCD-OPERA","MP":-43.44,"MP.Reference":"EPA-CCD-OPERA","MW":344.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2554-06-5"}
{"Compound":"Diisodecylphenyl phosphite","CAS":"25550-98-5","CAS.Checksum":true,"DTXSID":"DTXSID3027877","All.Compound.Names":"Diisodecylphenyl phosphite","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25550-98-5"}
{"Compound":"2-pentyl-2-cyclopenten-1-one","CAS":"25564-22-1","CAS.Checksum":true,"DTXSID":"DTXSID6029331","Formula":"C10H16O","All.Compound.Names":"2-pentyl-2-cyclopenten-1-one|Dtxsid6029331","logHenry":-4.264,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.841,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.848,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.024,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.96,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25564-22-1"}
{"Compound":"2-butenoic acid, 2-methyl-, 3,7-dimethyl-6-octen-1-yl ester","CAS":"255714-11-5","CAS.Checksum":true,"DTXSID":"DTXSID3047556","Formula":"C15H26O2","All.Compound.Names":"2-butenoic acid, 2-methyl-, 3,7-dimethyl-6-octen-1-yl ester|3,7-dimethyloct-6-en-1-yl 2-methylbut-2-enoate|Dtxsid3047556","logHenry":-4.919,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.331,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.216,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.012,"logWSol.Reference":"EPA-CCD-OPERA","MP":-26.32,"MP.Reference":"EPA-CCD-OPERA","MW":238.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"255714-11-5"}
{"Compound":"Hydroxypropyl acrylate","CAS":"25584-83-2","CAS.Checksum":true,"DTXSID":"DTXSID8027878","Formula":"C3H3O2","All.Compound.Names":"Hydroxypropyl acrylate","MW":71.06,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25584-83-2"}
{"Compound":"Trimethylhexane-1,6-diamine","CAS":"25620-58-0","CAS.Checksum":true,"DTXSID":"DTXSID2044894","Formula":"C9H22N2","All.Compound.Names":"Trimethylhexane-1,6-diamine","MW":158.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25620-58-0"}
{"Compound":"Butylnaphthalenesulfonic acid sodium salt","CAS":"25638-17-9","CAS.Checksum":true,"DTXSID":"DTXSID2041703","All.Compound.Names":"Butylnaphthalenesulfonic acid sodium salt","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25638-17-9"}
{"Compound":"Poly(2-hydroxypropyl methacrylate)","CAS":"25703-79-1","CAS.Checksum":true,"DTXSID":"DTXSID1025934","Formula":"(C7H12O3)n","All.Compound.Names":"Poly(2-hydroxypropyl methacrylate)","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25703-79-1"}
{"Compound":"1,3-cyclohexanedimethanamine","CAS":"2579-20-6","CAS.Checksum":true,"DTXSID":"DTXSID4041238","Formula":"C8H18N2","All.Compound.Names":"1,3-cyclohexanedimethanamine|Dtxsid4041238|2579-20-6","logHenry":-8.529,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9479,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.913,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2031,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.21,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2579-20-6"}
{"Compound":"Clometacine","CAS":"25803-14-9","CAS.Checksum":true,"DTXSID":"DTXSID7048827","Formula":"C19H16ClNO4","All.Compound.Names":"Clometacine|Dtxsid7048827|25803-14-9","logHenry":-9.077,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.376,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.991,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.782,"logWSol.Reference":"EPA-CCD-OPERA","MP":241.5,"MP.Reference":"EPA-CCD-OPERA","MW":357.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25803-14-9"}
{"Compound":"Tert-butyl 4-hydroxybenzoate","CAS":"25804-49-3","CAS.Checksum":true,"DTXSID":"DTXSID7044895","Formula":"C11H14O3","All.Compound.Names":"Tert-butyl 4-hydroxybenzoate|Dtxsid7044895|25804-49-3","logHenry":-8.525,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.84,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.608,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.885,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.63,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25804-49-3"}
{"Compound":"1-butyl-3-methylpyridinium iodide","CAS":"258273-67-5","CAS.Checksum":true,"DTXSID":"DTXSID3049257","Formula":"C10H16IN","All.Compound.Names":"1-butyl-3-methylpyridinium iodide|Dtxsid3049257|258273-67-5","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.578,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.071,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.177,"logWSol.Reference":"EPA-CCD-OPERA","MP":165,"MP.Reference":"EPA-CCD-OPERA","MW":277.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"258273-67-5"}
{"Compound":"Butyltrimethylammonium bis(trifluoromethylsulfonyl)imide","CAS":"258273-75-5","CAS.Checksum":true,"DTXSID":"DTXSID3047920","Formula":"C9H18F6N2O4S2","All.Compound.Names":"Butyltrimethylammonium bis(trifluoromethylsulfonyl)imide","MW":396.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"258273-75-5"}
{"Compound":"Robenidine","CAS":"25875-51-8","CAS.Checksum":true,"DTXSID":"DTXSID9046813","Formula":"C15H13Cl2N5","All.Compound.Names":"Robenidine|Dtxsid9046813|25875-51-8","logHenry":-8.914,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.805,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.999,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.694,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.7,"MP.Reference":"EPA-CCD-OPERA","MW":334.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25875-51-8"}
{"Compound":"Phorate sulfone","CAS":"2588-04-7","CAS.Checksum":true,"DTXSID":"DTXSID6042282","Formula":"C7H17O4PS3","All.Compound.Names":"Phorate sulfone|Dtxsid6042282","logHenry":-6.355,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.99,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.678,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.53,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.4,"MP.Reference":"EPA-CCD-OPERA","MW":292.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2588-04-7"}
{"Compound":"Trihexyltetradecylphosphonium chloride","CAS":"258864-54-9","CAS.Checksum":true,"DTXSID":"DTXSID1047944","Formula":"C32H68ClP","All.Compound.Names":"Trihexyltetradecylphosphonium chloride","logHenry":-6.139,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.843,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.835,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.049,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.96,"MP.Reference":"EPA-CCD-OPERA","MW":519.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"258864-54-9"}
{"Compound":"(2z)-2-pentenenitrile","CAS":"25899-50-7","CAS.Checksum":true,"DTXSID":"DTXSID2027884","Formula":"C5H7N","All.Compound.Names":"(2z)-2-pentenenitrile|Dtxsid2027884","logHenry":-4.33,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.0902,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.037,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9202,"logWSol.Reference":"EPA-CCD-OPERA","MP":-70.26,"MP.Reference":"EPA-CCD-OPERA","MW":81.12,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25899-50-7"}
{"Compound":"N-formylpiperidine","CAS":"2591-86-8","CAS.Checksum":true,"DTXSID":"DTXSID8043941","Formula":"C6H11NO","All.Compound.Names":"N-formylpiperidine|Dtxsid8043941|2591-86-8","logHenry":-7.052,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3201,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.054,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5107,"logWSol.Reference":"EPA-CCD-OPERA","MP":-30.6,"MP.Reference":"EPA-CCD-OPERA","MW":113.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2591-86-8"}
{"Compound":"1h-benzotriazol-1-ol","CAS":"2592-95-2","CAS.Checksum":true,"DTXSID":"DTXSID3044627","Formula":"C6H5N3O","All.Compound.Names":"1h-benzotriazol-1-ol|1-hydroxybenzotriazole|Dtxsid3044627|2592-95-2","logHenry":-6.909,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6889,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.931,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.005,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.5,"MP.Reference":"EPA-CCD-OPERA","MW":135.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2592-95-2"}
{"Compound":"Mecarbam","CAS":"2595-54-2","CAS.Checksum":true,"DTXSID":"DTXSID0042117","Formula":"C10H20NO5PS2","All.Compound.Names":"Mecarbam|Dtxsid0042117|2595-54-2","logHenry":-9.028,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.424,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.459,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.521,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.63,"MP.Reference":"EPA-CCD-OPERA","MW":329.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2595-54-2"}
{"Compound":"Minaprine dihydrochloride","CAS":"25953-17-7","CAS.Checksum":true,"DTXSID":"DTXSID2045864","Formula":"C17H24Cl2N4O","All.Compound.Names":"Minaprine dihydrochloride|Dtxsid2045864|25953-17-7","logHenry":-8.526,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6387,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.976,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.157,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.7,"MP.Reference":"EPA-CCD-OPERA","MW":371.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25953-17-7"}
{"Compound":"Fosamine ammonium","CAS":"25954-13-6","CAS.Checksum":true,"DTXSID":"DTXSID9032406","Formula":"C3H11N2O4P","All.Compound.Names":"Fosamine ammonium|Dtxsid9032406|25954-13-6","logHenry":-8.793,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.365,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.43,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.989,"logWSol.Reference":"EPA-CCD-OPERA","MP":175,"MP.Reference":"EPA-CCD-OPERA","MW":170.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25954-13-6"}
{"Compound":"Phenthoate","CAS":"2597-03-7","CAS.Checksum":true,"DTXSID":"DTXSID6042280","Formula":"C12H17O4PS2","All.Compound.Names":"Phenthoate|Dtxsid6042280","logHenry":-6.853,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.69,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.188,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.958,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.44,"MP.Reference":"EPA-CCD-OPERA","MW":320.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"168","Human.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"2597-03-7"}
{"Compound":"2-(2h-benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)phenol","CAS":"25973-55-1","CAS.Checksum":true,"DTXSID":"DTXSID2027886","Formula":"C22H29N3O","All.Compound.Names":"2-(2h-benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)phenol|2-(2-hydroxy-3,5-di-tert-pentylphenyl)benzotriazole|Dtxsid2027886|25973-55-1","logHenry":-7.267,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.967,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.556,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.9,"MP.Reference":"EPA-CCD-OPERA","MW":351.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25973-55-1"}
{"Compound":"Lasalocid sodium","CAS":"25999-20-6","CAS.Checksum":true,"DTXSID":"DTXSID9045895","Formula":"C34H53NaO8","All.Compound.Names":"Lasalocid sodium|Dtxsid9045895|25999-20-6","logHenry":-10.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.459,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.029,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.648,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.9,"MP.Reference":"EPA-CCD-OPERA","MW":612.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25999-20-6"}
{"Compound":"Phenothrin","CAS":"26002-80-2","CAS.Checksum":true,"DTXSID":"DTXSID7032688","Formula":"C23H26O3","All.Compound.Names":"Phenothrin|Dtxsid7032688","logHenry":-7.546,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.012,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.117,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.633,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.39,"MP.Reference":"EPA-CCD-OPERA","MW":350.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26002-80-2"}
{"Compound":"Fosfomycin calcium","CAS":"26016-98-8","CAS.Checksum":true,"DTXSID":"DTXSID1045873","Formula":"C3H5CaO4P","All.Compound.Names":"Fosfomycin calcium|Dtxsid1045873|26016-98-8","logHenry":-7.453,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.792,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.65,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4471,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.21,"MP.Reference":"EPA-CCD-OPERA","MW":176.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26016-98-8"}
{"Compound":"Bis(2-ethylhexyl) tetrabromophthalate","CAS":"26040-51-7","CAS.Checksum":true,"DTXSID":"DTXSID7027887","Formula":"C24H34Br4O4","All.Compound.Names":"Bis(2-ethylhexyl) tetrabromophthalate|Dtxsid7027887","logHenry":-6.073,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.547,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.131,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.207,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.87,"MP.Reference":"EPA-CCD-OPERA","MW":706.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26040-51-7"}
{"Compound":"2-hydrazino-4-(4-nitrophenyl)thiazole","CAS":"26049-70-7","CAS.Checksum":true,"DTXSID":"DTXSID3020706","Formula":"C9H8N4O2S","All.Compound.Names":"2-hydrazino-4-(4-nitrophenyl)thiazole|Dtxsid3020706|26049-70-7","logHenry":-7.95,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.613,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.738,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.564,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.4,"MP.Reference":"EPA-CCD-OPERA","MW":236.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26049-70-7"}
{"Compound":"2-hydrazino-4-(4-aminophenyl) thiazole","CAS":"26049-71-8","CAS.Checksum":true,"DTXSID":"DTXSID3020704","Formula":"C9H10N4S","All.Compound.Names":"2-hydrazino-4-(4-aminophenyl) thiazole|Dtxsid3020704|26049-71-8","logHenry":-7.564,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.304,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.225,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.433,"logWSol.Reference":"EPA-CCD-OPERA","MP":249.1,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26049-71-8"}
{"Compound":"N,n-dimethyldecylamine oxide","CAS":"2605-79-0","CAS.Checksum":true,"DTXSID":"DTXSID7042190","Formula":"C12H27NO","All.Compound.Names":"N,n-dimethyldecylamine oxide|Dtxsid7042190|2605-79-0","logHenry":-3.382,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.536,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9857,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.472,"logWSol.Reference":"EPA-CCD-OPERA","MP":92,"MP.Reference":"EPA-CCD-OPERA","MW":201.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2605-79-0"}
{"Compound":"Halethazole hydrochloride","CAS":"2607-31-0","CAS.Checksum":true,"DTXSID":"DTXSID9046237","Formula":"C19H22Cl2N2OS","All.Compound.Names":"Halethazole hydrochloride|Dtxsid9046237|2607-31-0","logHenry":-5.391,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.87,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.861,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.636,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.2,"MP.Reference":"EPA-CCD-OPERA","MW":397.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2607-31-0"}
{"Compound":"Amiloride","CAS":"2609-46-3","CAS.Checksum":true,"DTXSID":"DTXSID9043853","Formula":"C6H8ClN7O","All.Compound.Names":"Amiloride|2609-46-3|Dtxsid9043853","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2384,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.705,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.93,"logWSol.Reference":"EPA-CCD-OPERA","MP":241,"MP.Reference":"EPA-CCD-OPERA","MW":229.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.599,0.118,3.04","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"2609-46-3"}
{"Compound":"Otilonium bromide","CAS":"26095-59-0","CAS.Checksum":true,"DTXSID":"DTXSID0046357","Formula":"C29H43BrN2O4","All.Compound.Names":"Otilonium bromide|Dtxsid0046357|26095-59-0","logHenry":-9.719,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1633,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.04,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.969,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.5,"MP.Reference":"EPA-CCD-OPERA","MW":563.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26095-59-0"}
{"Compound":"Cambendazole","CAS":"26097-80-3","CAS.Checksum":true,"DTXSID":"DTXSID0046852","Formula":"C14H14N4O2S","All.Compound.Names":"Cambendazole|Dtxsid0046852|26097-80-3","logHenry":-9.312,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.589,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.851,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.116,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.8,"MP.Reference":"EPA-CCD-OPERA","MW":302.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26097-80-3"}
{"Compound":"C.i. direct red 81 disodium salt","CAS":"2610-11-9","CAS.Checksum":true,"DTXSID":"DTXSID5041726","Formula":"C29H19N5Na2O8S2","All.Compound.Names":"C.i. direct red 81 disodium salt|Direct red 81|Dtxsid5041726|2610-11-9","logHenry":-10.28,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.851,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.666,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.121,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.9,"MP.Reference":"EPA-CCD-OPERA","MW":675.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.492","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"4.049e-05,0,0.0001779","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"2610-11-9"}
{"Compound":"Potassium warfarin","CAS":"2610-86-8","CAS.Checksum":true,"DTXSID":"DTXSID5042324","Formula":"C19H15KO4","All.Compound.Names":"Potassium warfarin|Dtxsid5042324|2610-86-8","logHenry":-10.43,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6077,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.13,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.741,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.1,"MP.Reference":"EPA-CCD-OPERA","MW":346.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2610-86-8"}
{"Compound":"Thiamphenicol glycinate hydrochloride","CAS":"2611-61-2","CAS.Checksum":true,"DTXSID":"DTXSID6023650","Formula":"C14H19Cl3N2O6S","All.Compound.Names":"Thiamphenicol glycinate hydrochloride|Dtxsid6023650|2611-61-2","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.818,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.913,"logWSol.Reference":"EPA-CCD-OPERA","MP":167,"MP.Reference":"EPA-CCD-OPERA","MW":449.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2611-61-2"}
{"Compound":"1,3,5-tris[3-(trimethoxysilyl)propyl]-1,3,5-triazinane-2,4,6-trione","CAS":"26115-70-8","CAS.Checksum":true,"DTXSID":"DTXSID2044896","Formula":"C21H45N3O12Si3","All.Compound.Names":"1,3,5-tris[3-(trimethoxysilyl)propyl]-1,3,5-triazinane-2,4,6-trione|Dtxsid2044896|26115-70-8","logHenry":-6.365,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.733,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.942,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.11,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.3,"MP.Reference":"EPA-CCD-OPERA","MW":615.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26115-70-8"}
{"Compound":"1-ethylpyrrolidin-2-ylmethylamine","CAS":"26116-12-1","CAS.Checksum":true,"DTXSID":"DTXSID3057698","Formula":"C7H16N2","All.Compound.Names":"1-ethylpyrrolidin-2-ylmethylamine|Dtxsid3057698|26116-12-1","logHenry":-4.987,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4652,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.536,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3824,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.97,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.76","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26116-12-1"}
{"Compound":"2-ethylpropane-1,3-diol","CAS":"2612-29-5","CAS.Checksum":true,"DTXSID":"DTXSID7044897","Formula":"C5H12O2","All.Compound.Names":"2-ethylpropane-1,3-diol|Dtxsid7044897|2612-29-5","logHenry":-7.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3323,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.478,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9288,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.75,"MP.Reference":"EPA-CCD-OPERA","MW":104.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2612-29-5"}
{"Compound":"Frentizole","CAS":"26130-02-9","CAS.Checksum":true,"DTXSID":"DTXSID5046279","Formula":"C15H13N3O2S","All.Compound.Names":"Frentizole|Dtxsid5046279|26130-02-9","logHenry":-8.213,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.804,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.693,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.859,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.4,"MP.Reference":"EPA-CCD-OPERA","MW":299.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26130-02-9"}
{"Compound":"Morantel tartrate","CAS":"26155-31-7","CAS.Checksum":true,"DTXSID":"DTXSID2045575","Formula":"C16H22N2O6S","All.Compound.Names":"Morantel tartrate|Dtxsid2045575|26155-31-7","logHenry":-5.112,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7886,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.104,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.25,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.3,"MP.Reference":"EPA-CCD-OPERA","MW":370.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26155-31-7"}
{"Compound":"Naproxen sodium","CAS":"26159-34-2","CAS.Checksum":true,"DTXSID":"DTXSID7045576","Formula":"C14H13NaO3","All.Compound.Names":"Naproxen sodium|Dtxsid7045576|26159-34-2","logHenry":-8.974,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1163,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.635,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.235,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.1,"MP.Reference":"EPA-CCD-OPERA","MW":252.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26159-34-2"}
{"Compound":"Naproxol","CAS":"26159-36-4","CAS.Checksum":true,"DTXSID":"DTXSID1045904","Formula":"C14H16O2","All.Compound.Names":"Naproxol|Dtxsid1045904|26159-36-4","logHenry":-6.878,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.782,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.671,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.48,"MP.Reference":"EPA-CCD-OPERA","MW":216.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26159-36-4"}
{"Compound":"2-methyl-4-isothiazolin-3-one hydrochloride","CAS":"26172-54-3","CAS.Checksum":true,"DTXSID":"DTXSID1040740","Formula":"C4H6ClNOS","All.Compound.Names":"2-methyl-4-isothiazolin-3-one hydrochloride|2-methyl-3-isothiazolone hydrochloride|Dtxsid1040740|26172-54-3","logHenry":-7.638,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.707,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.23,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4979,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.3,"MP.Reference":"EPA-CCD-OPERA","MW":151.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26172-54-3"}
{"Compound":"5-chloro-2-methyl-3(2h)-isothiazolone","CAS":"26172-55-4","CAS.Checksum":true,"DTXSID":"DTXSID9034286","Formula":"C4H4ClNOS","All.Compound.Names":"5-chloro-2-methyl-3(2h)-isothiazolone|Dtxsid9034286|26172-55-4","logHenry":-6.641,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.04999,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.041,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5236,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.2,"MP.Reference":"EPA-CCD-OPERA","MW":149.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26172-55-4"}
{"Compound":"(s)-(+)-n-ethylamphetamine hydrochloride","CAS":"26194-77-4","CAS.Checksum":true,"DTXSID":"DTXSID8048868","Formula":"C11H18ClN","All.Compound.Names":"(s)-(+)-n-ethylamphetamine hydrochloride|Dtxsid8048868|26194-77-4","logHenry":-5.219,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1491,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.865,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.176,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.5,"MP.Reference":"EPA-CCD-OPERA","MW":199.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26194-77-4"}
{"Compound":"Cp-532623","CAS":"261947-38-0","CAS.Checksum":true,"DTXSID":"DTXSID7047279","Formula":"C27H27F9N2O3","All.Compound.Names":"Cp-532623|Dtxsid7047279|261947-38-0","logHenry":-7.287,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.318,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.377,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.407,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.42,"MP.Reference":"EPA-CCD-OPERA","MW":598.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"261947-38-0"}
{"Compound":"Dibenzo-p-dioxin","CAS":"262-12-4","CAS.Checksum":true,"DTXSID":"DTXSID8020410","Formula":"C12H8O2","All.Compound.Names":"Dibenzo-p-dioxin|Dtxsid8020410","logHenry":-5.212,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.339,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.565,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.305,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.9,"MP.Reference":"EPA-CCD-OPERA","MW":184.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"262-12-4"}
{"Compound":"Phenoxathiin","CAS":"262-20-4","CAS.Checksum":true,"DTXSID":"DTXSID4024937","Formula":"C12H8OS","All.Compound.Names":"Phenoxathiin|Dtxsid4024937","logHenry":-5.952,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.54,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.973,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.536,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.7,"MP.Reference":"EPA-CCD-OPERA","MW":200.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"262-20-4"}
{"Compound":"Periciazine","CAS":"2622-26-6","CAS.Checksum":true,"DTXSID":"DTXSID5045910","Formula":"C21H23N3OS","All.Compound.Names":"Periciazine|Dtxsid5045910|2622-26-6","logHenry":-6.597,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.52,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.832,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.983,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.6,"MP.Reference":"EPA-CCD-OPERA","MW":365.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2622-26-6"}
{"Compound":"1-butyl-3-methylimidazolium hydrogensulfate","CAS":"262297-13-2","CAS.Checksum":true,"DTXSID":"DTXSID8047971","Formula":"C8H16N2O4S","All.Compound.Names":"1-butyl-3-methylimidazolium hydrogensulfate|Dtxsid8047971|262297-13-2","logHenry":-2.096,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5496,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.459,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.4,"MP.Reference":"EPA-CCD-OPERA","MW":236.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"262297-13-2"}
{"Compound":"Diacetamate","CAS":"2623-33-8","CAS.Checksum":true,"DTXSID":"DTXSID2046256","Formula":"C10H11NO3","All.Compound.Names":"Diacetamate|Dtxsid2046256|2623-33-8","logHenry":-9.451,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9269,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.059,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.909,"logWSol.Reference":"EPA-CCD-OPERA","MP":91.56,"MP.Reference":"EPA-CCD-OPERA","MW":193.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2623-33-8"}
{"Compound":"Hmr1426","CAS":"262376-75-0","CAS.Checksum":true,"DTXSID":"DTXSID9047338","Formula":"C16H12ClNOS","All.Compound.Names":"Hmr1426|Dtxsid9047338|262376-75-0","logHenry":-8.979,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.383,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.123,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.573,"logWSol.Reference":"EPA-CCD-OPERA","MP":136,"MP.Reference":"EPA-CCD-OPERA","MW":301.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"262376-75-0"}
{"Compound":"Cyclofenil","CAS":"2624-43-3","CAS.Checksum":true,"DTXSID":"DTXSID4022866","Formula":"C23H24O4","All.Compound.Names":"Cyclofenil|Dtxsid4022866","logHenry":-7.47,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.628,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.136,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.076,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.3,"MP.Reference":"EPA-CCD-OPERA","MW":364.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2624-43-3"}
{"Compound":"Ethamsylate","CAS":"2624-44-4","CAS.Checksum":true,"DTXSID":"DTXSID4045559","Formula":"C10H17NO5S","All.Compound.Names":"Ethamsylate|Dtxsid4045559|2624-44-4","logHenry":-7.988,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9507,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.174,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.299,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.1,"MP.Reference":"EPA-CCD-OPERA","MW":263.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2624-44-4"}
{"Compound":"Calcium dodecylbenzene sulfonate","CAS":"26264-06-2","CAS.Checksum":true,"DTXSID":"DTXSID1027891","All.Compound.Names":"Calcium dodecylbenzene sulfonate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26264-06-2"}
{"Compound":"Sorbitan monohexadecanoate","CAS":"26266-57-9","CAS.Checksum":true,"DTXSID":"DTXSID6029335","All.Compound.Names":"Sorbitan monohexadecanoate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26266-57-9"}
{"Compound":"Acadesine","CAS":"2627-69-2","CAS.Checksum":true,"DTXSID":"DTXSID5046015","Formula":"C9H14N4O5","All.Compound.Names":"Acadesine|2627-69-2|Dtxsid5046015","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.572,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.04,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.28,"logWSol.Reference":"EPA-CCD-OPERA","MP":233.6,"MP.Reference":"EPA-CCD-OPERA","MW":258.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.14","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.1,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"2627-69-2"}
{"Compound":"1,3-divinyl-1,1,3,3-tetramethyl disiloxane","CAS":"2627-95-4","CAS.Checksum":true,"DTXSID":"DTXSID7038810","Formula":"C8H18OSi2","All.Compound.Names":"1,3-divinyl-1,1,3,3-tetramethyl disiloxane|Divinyltetramethyldisiloxane|Dtxsid7038810","logHenry":0.2838,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.837,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.099,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.788,"logWSol.Reference":"EPA-CCD-OPERA","MP":-99.63,"MP.Reference":"EPA-CCD-OPERA","MW":186.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2627-95-4"}
{"Compound":"4-ethenylphenyl acetate","CAS":"2628-16-2","CAS.Checksum":true,"DTXSID":"DTXSID2044898","Formula":"C10H10O2","All.Compound.Names":"4-ethenylphenyl acetate|Dtxsid2044898","logHenry":-5.424,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.125,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.949,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.283,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.01,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2628-16-2"}
{"Compound":"Pepstatin","CAS":"26305-03-3","CAS.Checksum":true,"DTXSID":"DTXSID7046095","Formula":"C34H63N5O9","All.Compound.Names":"Pepstatin|Dtxsid7046095|26305-03-3","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5709,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.015,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.216,"logWSol.Reference":"EPA-CCD-OPERA","MP":174,"MP.Reference":"EPA-CCD-OPERA","MW":685.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26305-03-3"}
{"Compound":"Promecarb","CAS":"2631-37-0","CAS.Checksum":true,"DTXSID":"DTXSID4037617","Formula":"C12H17NO2","All.Compound.Names":"Promecarb|Dtxsid4037617|2631-37-0","logHenry":-7.841,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.097,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.185,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.354,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.47,"MP.Reference":"EPA-CCD-OPERA","MW":207.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2631-37-0"}
{"Compound":"Isoprocarb","CAS":"2631-40-5","CAS.Checksum":true,"DTXSID":"DTXSID6042072","Formula":"C11H15NO2","All.Compound.Names":"Isoprocarb|Dtxsid6042072|2631-40-5","logHenry":-7.772,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.314,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.378,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.771,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.6,"MP.Reference":"EPA-CCD-OPERA","MW":193.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2631-40-5"}
{"Compound":"Zanapezil fumerate","CAS":"263248-42-6","CAS.Checksum":true,"DTXSID":"DTXSID9048776","All.Compound.Names":"Zanapezil fumerate|Dtxsid9048776|Zanapezil fumarate (1:x)|263248-42-6","logHenry":-7.36,"logHenry.Reference":"OPERA29","logP":0.45,"logP.Reference":"OPERA29","logWSol":-5,"logWSol.Reference":"OPERA29","MP":177,"MP.Reference":"OPERA29","MW":376.3,"MW.Reference":"OPERA29","pKa_Accept":"6.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"263248-42-6"}
{"Compound":"Cinepazide maleate","CAS":"26328-04-1","CAS.Checksum":true,"DTXSID":"DTXSID5046859","Formula":"C26H35N3O9","All.Compound.Names":"Cinepazide maleate|Dtxsid5046859|26328-04-1","logHenry":-8.637,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6746,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.02,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.512,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.2,"MP.Reference":"EPA-CCD-OPERA","MW":533.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26328-04-1"}
{"Compound":"Gw473178e methyl benzene sulphonic acid","CAS":"263553-33-9","CAS.Checksum":true,"DTXSID":"DTXSID6047313","Formula":"C28H37N3O5S","All.Compound.Names":"Gw473178e methyl benzene sulphonic acid|Dtxsid6047313|263553-33-9","logHenry":-7.473,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8148,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.56,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.606,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.2,"MP.Reference":"EPA-CCD-OPERA","MW":527.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"263553-33-9"}
{"Compound":"4,4'-diazene-1,2-diylbis(4-cyanopentanoic acid)","CAS":"2638-94-0","CAS.Checksum":true,"DTXSID":"DTXSID3044629","Formula":"C12H16N4O4","All.Compound.Names":"4,4'-diazene-1,2-diylbis(4-cyanopentanoic acid)|Dtxsid3044629|2638-94-0","logHenry":-8.92,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.035,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.228,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.007,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.7,"MP.Reference":"EPA-CCD-OPERA","MW":280.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2638-94-0"}
{"Compound":"Hexyl butyrate","CAS":"2639-63-6","CAS.Checksum":true,"DTXSID":"DTXSID8047559","Formula":"C10H20O2","All.Compound.Names":"Hexyl butyrate|Dtxsid8047559","logHenry":-3.564,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.968,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.095,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.303,"logWSol.Reference":"EPA-CCD-OPERA","MP":-73.55,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2639-63-6"}
{"Compound":"Profluralin","CAS":"26399-36-0","CAS.Checksum":true,"DTXSID":"DTXSID2044559","Formula":"C14H16F3N3O4","All.Compound.Names":"Profluralin|Dtxsid2044559|26399-36-0","logHenry":-4.957,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.578,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.941,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.538,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.37,"MP.Reference":"EPA-CCD-OPERA","MW":347.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26399-36-0"}
{"Compound":"Glyceryl monooctanoate","CAS":"26402-26-6","CAS.Checksum":true,"DTXSID":"DTXSID8042006","All.Compound.Names":"Glyceryl monooctanoate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26402-26-6"}
{"Compound":"Azinphos-ethyl","CAS":"2642-71-9","CAS.Checksum":true,"DTXSID":"DTXSID5037498","Formula":"C12H16N3O3PS2","All.Compound.Names":"Azinphos-ethyl|Dtxsid5037498|2642-71-9","logHenry":-7.737,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.398,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.057,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.703,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.01,"MP.Reference":"EPA-CCD-OPERA","MW":345.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2642-71-9"}
{"Compound":"2,2-bis(4-chlorophenyl)ethanol","CAS":"2642-82-2","CAS.Checksum":true,"DTXSID":"DTXSID5041308","Formula":"C14H12Cl2O","All.Compound.Names":"2,2-bis(4-chlorophenyl)ethanol|Dtxsid5041308|2642-82-2","logHenry":-7.409,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.207,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.135,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.564,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.38,"MP.Reference":"EPA-CCD-OPERA","MW":267.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2642-82-2"}
{"Compound":"Cresyl diphenyl phosphate","CAS":"26444-49-5","CAS.Checksum":true,"DTXSID":"DTXSID3024861","All.Compound.Names":"Cresyl diphenyl phosphate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26444-49-5"}
{"Compound":"Ammonium xylene sulfonate","CAS":"26447-10-9","CAS.Checksum":true,"DTXSID":"DTXSID1027899","Formula":"C8H13NO3S","All.Compound.Names":"Ammonium xylene sulfonate","MW":203.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26447-10-9"}
{"Compound":"4-nitrohippuric acid","CAS":"2645-07-0","CAS.Checksum":true,"DTXSID":"DTXSID8025759","Formula":"C9H8N2O5","All.Compound.Names":"4-nitrohippuric acid|Dtxsid8025759|2645-07-0","logHenry":-9.506,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5473,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.635,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.126,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.4,"MP.Reference":"EPA-CCD-OPERA","MW":224.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2645-07-0"}
{"Compound":"Ssr146977","CAS":"264618-44-2","CAS.Checksum":true,"DTXSID":"DTXSID8047341","Formula":"C35H42Cl2N4O2","All.Compound.Names":"Ssr146977|Dtxsid8047341|264618-44-2","logHenry":-7.407,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.914,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.466,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.919,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.8,"MP.Reference":"EPA-CCD-OPERA","MW":621.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.98","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"264618-44-2"}
{"Compound":"Toluene diisocyanate","CAS":"26471-62-5","CAS.Checksum":true,"DTXSID":"DTXSID0024341","Formula":"C9H6N2O2","All.Compound.Names":"Toluene diisocyanate","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26471-62-5"}
{"Compound":"Methylcyclopentadiene dimer","CAS":"26472-00-4","CAS.Checksum":true,"DTXSID":"DTXSID3027902","All.Compound.Names":"Methylcyclopentadiene dimer","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26472-00-4"}
{"Compound":"2,2-dichloro-1-phenylethanone","CAS":"2648-61-5","CAS.Checksum":true,"DTXSID":"DTXSID1051939","Formula":"C8H6Cl2O","All.Compound.Names":"2,2-dichloro-1-phenylethanone|Dtxsid1051939","logHenry":-5.718,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.49,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.295,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.709,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.17,"MP.Reference":"EPA-CCD-OPERA","MW":189,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2648-61-5"}
{"Compound":"Zearalanol","CAS":"26538-44-3","CAS.Checksum":true,"DTXSID":"DTXSID4022315","Formula":"C18H26O5","All.Compound.Names":"Zearalanol|Dtxsid4022315|26538-44-3","logHenry":-9.905,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.19,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.102,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.111,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.4,"MP.Reference":"EPA-CCD-OPERA","MW":322.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26538-44-3"}
{"Compound":"4-methyl-1-phenylpyrazolidin-3-one","CAS":"2654-57-1","CAS.Checksum":true,"DTXSID":"DTXSID8044412","Formula":"C10H12N2O","All.Compound.Names":"4-methyl-1-phenylpyrazolidin-3-one|Dtxsid8044412|2654-57-1","logHenry":-8.025,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.447,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.302,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3455,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.9,"MP.Reference":"EPA-CCD-OPERA","MW":176.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2654-57-1"}
{"Compound":"Dihydro-3-(tetrapropenyl)- 2,5-furandione","CAS":"26544-38-7","CAS.Checksum":true,"DTXSID":"DTXSID8027905","All.Compound.Names":"Dihydro-3-(tetrapropenyl)- 2,5-furandione|(tetrapropenyl)succinic anhydride","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26544-38-7"}
{"Compound":"1-naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo, sodium salt","CAS":"2657-00-3","CAS.Checksum":true,"DTXSID":"DTXSID7041178","Formula":"C10H5N2NaO4S","All.Compound.Names":"1-naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo, sodium salt|6-diazo-5,6-dihydro-5-oxo1-naphthalenesulfonic acid sodium salt|Dtxsid7041178|2657-00-3","logHenry":-10.06,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.46,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.624,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.778,"logWSol.Reference":"EPA-CCD-OPERA","MP":221.7,"MP.Reference":"EPA-CCD-OPERA","MW":272.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2657-00-3"}
{"Compound":"3-oxo-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)butanamide","CAS":"26576-46-5","CAS.Checksum":true,"DTXSID":"DTXSID7044631","Formula":"C11H11N3O3","All.Compound.Names":"3-oxo-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)butanamide|Dtxsid7044631|26576-46-5","logHenry":-10.15,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6731,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.607,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.965,"logWSol.Reference":"EPA-CCD-OPERA","MP":233.2,"MP.Reference":"EPA-CCD-OPERA","MW":233.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26576-46-5"}
{"Compound":"1-butyl-2-methylpyridinium bromide","CAS":"26576-84-1","CAS.Checksum":true,"DTXSID":"DTXSID8049258","Formula":"C10H16BrN","All.Compound.Names":"1-butyl-2-methylpyridinium bromide|Dtxsid8049258|26576-84-1","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.407,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.9,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":111.4,"MP.Reference":"EPA-CCD-OPERA","MW":230.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26576-84-1"}
{"Compound":"1-butyl-3-methylpyridinium bromide","CAS":"26576-85-2","CAS.Checksum":true,"DTXSID":"DTXSID3049259","Formula":"C10H16BrN","All.Compound.Names":"1-butyl-3-methylpyridinium bromide|Dtxsid3049259|26576-85-2","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.424,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.917,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.177,"logWSol.Reference":"EPA-CCD-OPERA","MP":111.4,"MP.Reference":"EPA-CCD-OPERA","MW":230.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26576-85-2"}
{"Compound":"Zotepine","CAS":"26615-21-4","CAS.Checksum":true,"DTXSID":"DTXSID9023756","Formula":"C18H18ClNOS","All.Compound.Names":"Zotepine|26615-21-4|Dtxsid9023756","logHenry":-8.096,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.924,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.545,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.301,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.8,"MP.Reference":"EPA-CCD-OPERA","MW":331.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.1,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"26615-21-4"}
{"Compound":"Sodium azide","CAS":"26628-22-8","CAS.Checksum":true,"DTXSID":"DTXSID8020121","Formula":"N3Na","All.Compound.Names":"Sodium azide","MW":65.01,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26628-22-8"}
{"Compound":"Reparixin","CAS":"266359-83-5","CAS.Checksum":true,"DTXSID":"DTXSID6046509","Formula":"C14H21NO3S","All.Compound.Names":"Reparixin|Dtxsid6046509|266359-83-5","logHenry":-9.454,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.921,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.282,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.047,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.7,"MP.Reference":"EPA-CCD-OPERA","MW":283.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"266359-83-5"}
{"Compound":"Dodecylparaben","CAS":"2664-60-0","CAS.Checksum":true,"DTXSID":"DTXSID9047883","Formula":"C19H30O3","All.Compound.Names":"Dodecylparaben|Dtxsid9047883|2664-60-0","logHenry":-8.844,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.417,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.748,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.285,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.14,"MP.Reference":"EPA-CCD-OPERA","MW":306.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2664-60-0"}
{"Compound":"4,4'-thiodiphenol","CAS":"2664-63-3","CAS.Checksum":true,"DTXSID":"DTXSID9047960","Formula":"C12H10O2S","All.Compound.Names":"4,4'-thiodiphenol|Dtxsid9047960|2664-63-3","logHenry":-7.439,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.34,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.058,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.856,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.1,"MP.Reference":"EPA-CCD-OPERA","MW":218.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2664-63-3"}
{"Compound":"Dimethyl dihydrogen diphosphate","CAS":"26644-00-8","CAS.Checksum":true,"DTXSID":"DTXSID2044632","Formula":"C2H8O7P2","All.Compound.Names":"Dimethyl dihydrogen diphosphate|Dtxsid2044632|26644-00-8","logHenry":-7.678,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.13,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.224,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3419,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.3,"MP.Reference":"EPA-CCD-OPERA","MW":206,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26644-00-8"}
{"Compound":"Triforine","CAS":"26644-46-2","CAS.Checksum":true,"DTXSID":"DTXSID5032654","Formula":"C10H14Cl6N4O2","All.Compound.Names":"Triforine|N,n'-bis(1-formamido-2,2,2-trichloroethyl)piperazine|Dtxsid5032654|26644-46-2","logHenry":-7.396,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.191,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.342,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.7,"MP.Reference":"EPA-CCD-OPERA","MW":435,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.23","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26644-46-2"}
{"Compound":"Bisbentiamine","CAS":"2667-89-2","CAS.Checksum":true,"DTXSID":"DTXSID7048586","Formula":"C38H42N8O6S2","All.Compound.Names":"Bisbentiamine|Dtxsid7048586|2667-89-2","logHenry":-9.985,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.017,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.775,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.588,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.5,"MP.Reference":"EPA-CCD-OPERA","MW":770.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2667-89-2"}
{"Compound":"Isoflurane","CAS":"26675-46-7","CAS.Checksum":true,"DTXSID":"DTXSID3020752","Formula":"C3H2ClF5O","All.Compound.Names":"Isoflurane|Dtxsid3020752","logHenry":-1.541,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.06,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2807,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.618,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.3,"MP.Reference":"EPA-CCD-OPERA","MW":184.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26675-46-7"}
{"Compound":"Medrysone","CAS":"2668-66-8","CAS.Checksum":true,"DTXSID":"DTXSID6045371","Formula":"C22H32O3","All.Compound.Names":"Medrysone|Dtxsid6045371|2668-66-8","logHenry":-9.502,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.986,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.593,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.502,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.9,"MP.Reference":"EPA-CCD-OPERA","MW":344.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2668-66-8"}
{"Compound":"Canertinib","CAS":"267243-28-7","CAS.Checksum":true,"DTXSID":"DTXSID8048943","Formula":"C24H25ClFN5O3","All.Compound.Names":"Canertinib|Dtxsid8048943|267243-28-7","logHenry":-9.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.533,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.181,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.797,"logWSol.Reference":"EPA-CCD-OPERA","MP":235.7,"MP.Reference":"EPA-CCD-OPERA","MW":485.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"267243-28-7"}
{"Compound":"Alibendol","CAS":"26750-81-2","CAS.Checksum":true,"DTXSID":"DTXSID4046490","Formula":"C13H17NO4","All.Compound.Names":"Alibendol|Dtxsid4046490|26750-81-2","logHenry":-9.134,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.126,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.083,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.714,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.3,"MP.Reference":"EPA-CCD-OPERA","MW":251.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26750-81-2"}
{"Compound":"Diisodecyl phthalate","CAS":"26761-40-0","CAS.Checksum":true,"DTXSID":"DTXSID4025082","All.Compound.Names":"Diisodecyl phthalate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26761-40-0"}
{"Compound":"1,2-dihydro-2,2,4-trimethylquinoline, polymer","CAS":"26780-96-1","CAS.Checksum":true,"DTXSID":"DTXSID5025071","All.Compound.Names":"1,2-dihydro-2,2,4-trimethylquinoline, polymer","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26780-96-1"}
{"Compound":"Lofepramine hydrochloride","CAS":"26786-32-3","CAS.Checksum":true,"DTXSID":"DTXSID9047833","Formula":"C26H28Cl2N2O","All.Compound.Names":"Lofepramine hydrochloride|Dtxsid9047833|26786-32-3","logHenry":-7.252,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.146,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.54,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.602,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.5,"MP.Reference":"EPA-CCD-OPERA","MW":455.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26786-32-3"}
{"Compound":"N,n-dimethylacrylamide","CAS":"2680-03-7","CAS.Checksum":true,"DTXSID":"DTXSID0051944","Formula":"C5H9NO","All.Compound.Names":"N,n-dimethylacrylamide|Dtxsid0051944|2680-03-7","logHenry":-7.672,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2611,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.148,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.627,"logWSol.Reference":"EPA-CCD-OPERA","MP":-40.28,"MP.Reference":"EPA-CCD-OPERA","MW":99.13,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2680-03-7"}
{"Compound":"Indapamide","CAS":"26807-65-8","CAS.Checksum":true,"DTXSID":"DTXSID7044633","Formula":"C16H16ClN3O3S","All.Compound.Names":"Indapamide|26807-65-8|Dtxsid7044633","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.325,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.998,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.177,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.1,"MP.Reference":"EPA-CCD-OPERA","MW":365.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.98,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.9","Human.Clint.Reference":"Dawson 2021","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"26807-65-8"}
{"Compound":"2-methyl-3(2h)-isothiazolone","CAS":"2682-20-4","CAS.Checksum":true,"DTXSID":"DTXSID2034259","Formula":"C4H5NOS","All.Compound.Names":"2-methyl-3(2h)-isothiazolone|Dtxsid2034259|2682-20-4","logHenry":-7.638,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.09746,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.62,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4979,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.1,"MP.Reference":"EPA-CCD-OPERA","MW":115.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2682-20-4"}
{"Compound":"2,4-dichloro-6-nitroaniline","CAS":"2683-43-4","CAS.Checksum":true,"DTXSID":"DTXSID4041361","Formula":"C6H4Cl2N2O2","All.Compound.Names":"2,4-dichloro-6-nitroaniline|Dtxsid4041361|2683-43-4","logHenry":-7.009,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.63,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.907,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.85,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.6,"MP.Reference":"EPA-CCD-OPERA","MW":207,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-2.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2683-43-4"}
{"Compound":"Omacetaxine mepesuccinate","CAS":"26833-87-4","CAS.Checksum":true,"DTXSID":"DTXSID0045678","Formula":"C29H39NO9","All.Compound.Names":"Omacetaxine mepesuccinate|Dtxsid0045678|26833-87-4","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.848,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.826,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.537,"logWSol.Reference":"EPA-CCD-OPERA","MP":170,"MP.Reference":"EPA-CCD-OPERA","MW":545.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26833-87-4"}
{"Compound":"2-amino-2,4-dimethylpentanenitrile","CAS":"26842-43-3","CAS.Checksum":true,"DTXSID":"DTXSID7044899","Formula":"C7H14N2","All.Compound.Names":"2-amino-2,4-dimethylpentanenitrile|Dtxsid7044899|26842-43-3","logHenry":-6.572,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4417,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.295,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9512,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.18,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26842-43-3"}
{"Compound":"Penfluridol","CAS":"26864-56-2","CAS.Checksum":true,"DTXSID":"DTXSID5049021","Formula":"C28H27ClF5NO","All.Compound.Names":"Penfluridol|Dtxsid5049021|26864-56-2","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.22,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.056,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.78,"logWSol.Reference":"EPA-CCD-OPERA","MP":106,"MP.Reference":"EPA-CCD-OPERA","MW":524,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26864-56-2"}
{"Compound":"2,3-diaminotoluene","CAS":"2687-25-4","CAS.Checksum":true,"DTXSID":"DTXSID4027494","Formula":"C7H10N2","All.Compound.Names":"2,3-diaminotoluene|Dtxsid4027494|2687-25-4","logHenry":-7.252,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3352,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.436,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5099,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.4,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2687-25-4"}
{"Compound":"1-ethyl-2-pyrrolidinone","CAS":"2687-91-4","CAS.Checksum":true,"DTXSID":"DTXSID3044413","Formula":"C6H11NO","All.Compound.Names":"1-ethyl-2-pyrrolidinone|Dtxsid3044413|2687-91-4","logHenry":-7.812,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.04214,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.474,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5461,"logWSol.Reference":"EPA-CCD-OPERA","MP":4.136,"MP.Reference":"EPA-CCD-OPERA","MW":113.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2687-91-4"}
{"Compound":"N-octyl-2-pyrrolidone","CAS":"2687-94-7","CAS.Checksum":true,"DTXSID":"DTXSID4036435","Formula":"C12H23NO","All.Compound.Names":"N-octyl-2-pyrrolidone|1-octyl-2-pyrrolidone|Dtxsid4036435|2687-94-7","logHenry":-3.816,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.874,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.562,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.691,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.378,"MP.Reference":"EPA-CCD-OPERA","MW":197.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2687-94-7"}
{"Compound":"Neodecanoic acid","CAS":"26896-20-8","CAS.Checksum":true,"DTXSID":"DTXSID7027916","All.Compound.Names":"Neodecanoic acid","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26896-20-8"}
{"Compound":"Tricyclodecanedimethanol","CAS":"26896-48-0","CAS.Checksum":true,"DTXSID":"DTXSID9044900","All.Compound.Names":"Tricyclodecanedimethanol","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26896-48-0"}
{"Compound":"Timolol maleate salt","CAS":"26921-17-5","CAS.Checksum":true,"DTXSID":"DTXSID3047504","Formula":"C17H28N4O7S","All.Compound.Names":"Timolol maleate salt|Dtxsid3047504|26921-17-5","logHenry":-8.802,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6794,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.564,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.658,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.2,"MP.Reference":"EPA-CCD-OPERA","MW":432.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26921-17-5"}
{"Compound":"3-aminofluoranthene","CAS":"2693-46-1","CAS.Checksum":true,"DTXSID":"DTXSID2049260","Formula":"C16H11N","All.Compound.Names":"3-aminofluoranthene|Dtxsid2049260|2693-46-1","logHenry":-7.133,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.202,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.877,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.287,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.2,"MP.Reference":"EPA-CCD-OPERA","MW":217.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2693-46-1"}
{"Compound":"Triprop-2-en-1-yl benzene-1,2,4-tricarboxylate","CAS":"2694-54-4","CAS.Checksum":true,"DTXSID":"DTXSID4044901","Formula":"C18H18O6","All.Compound.Names":"Triprop-2-en-1-yl benzene-1,2,4-tricarboxylate|Triallyl trimellitate|Dtxsid4044901","logHenry":-8.592,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.105,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.063,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.637,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.33,"MP.Reference":"EPA-CCD-OPERA","MW":330.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2694-54-4"}
{"Compound":"Sodium 4-vinylbenzenesulfonate","CAS":"2695-37-6","CAS.Checksum":true,"DTXSID":"DTXSID7044635","Formula":"C8H7NaO3S","All.Compound.Names":"Sodium 4-vinylbenzenesulfonate|Dtxsid7044635|2695-37-6","logHenry":-7.868,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.415,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.77,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.04801,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.02,"MP.Reference":"EPA-CCD-OPERA","MW":206.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2695-37-6"}
{"Compound":"Poly-l-ornithine hydrochloride","CAS":"26982-21-8","CAS.Checksum":true,"DTXSID":"DTXSID0049020","All.Compound.Names":"Poly-l-ornithine hydrochloride","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26982-21-8"}
{"Compound":"Spiclomazine hydrochloride","CAS":"27007-85-8","CAS.Checksum":true,"DTXSID":"DTXSID4023593","Formula":"C22H25Cl2N3OS2","All.Compound.Names":"Spiclomazine hydrochloride|Dtxsid4023593|27007-85-8","logHenry":-8.556,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.907,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.297,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.556,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.4,"MP.Reference":"EPA-CCD-OPERA","MW":482.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27007-85-8"}
{"Compound":"2,4-d sodium salt","CAS":"2702-72-9","CAS.Checksum":true,"DTXSID":"DTXSID4027496","Formula":"C8H5Cl2NaO3","All.Compound.Names":"2,4-d sodium salt|Dtxsid4027496|2702-72-9","logHenry":-8.529,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.251,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.9,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.165,"logWSol.Reference":"EPA-CCD-OPERA","MP":139,"MP.Reference":"EPA-CCD-OPERA","MW":243,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2702-72-9"}
{"Compound":"Oxiglutatione","CAS":"27025-41-8","CAS.Checksum":true,"DTXSID":"DTXSID5048972","Formula":"C20H32N6O12S2","All.Compound.Names":"Oxiglutatione|Dtxsid5048972|27025-41-8","logHenry":-10.64,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.02,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.62,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1392,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.3,"MP.Reference":"EPA-CCD-OPERA","MW":612.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27025-41-8"}
{"Compound":"Prop-2-en-1-yl 3-cyclohexylpropanoate","CAS":"2705-87-5","CAS.Checksum":true,"DTXSID":"DTXSID8044755","Formula":"C12H20O2","All.Compound.Names":"Prop-2-en-1-yl 3-cyclohexylpropanoate|Dtxsid8044755","logHenry":-3.754,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.021,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.063,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.001,"logWSol.Reference":"EPA-CCD-OPERA","MP":-13.25,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2705-87-5"}
{"Compound":"1-bromo-4-methoxy-2-methylbenzene","CAS":"27060-75-9","CAS.Checksum":true,"DTXSID":"DTXSID1029338","Formula":"C8H9BrO","All.Compound.Names":"1-bromo-4-methoxy-2-methylbenzene|Dtxsid1029338","logHenry":-4.289,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.902,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.331,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.561,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.13,"MP.Reference":"EPA-CCD-OPERA","MW":201.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27060-75-9"}
{"Compound":"Fluorescein 5(6)-isothiocyanate","CAS":"27072-45-3","CAS.Checksum":true,"DTXSID":"DTXSID4049408","Formula":"C21H11NO5S","All.Compound.Names":"Fluorescein 5(6)-isothiocyanate","MW":389.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27072-45-3"}
{"Compound":"N,n,n',n'-tetrabutyl-1,6-hexanediamine","CAS":"27090-63-7","CAS.Checksum":true,"DTXSID":"DTXSID1027920","Formula":"C22H48N2","All.Compound.Names":"N,n,n',n'-tetrabutyl-1,6-hexanediamine|Dtxsid1027920|27090-63-7","logHenry":-5.999,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.848,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.414,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.42,"logWSol.Reference":"EPA-CCD-OPERA","MP":-47.13,"MP.Reference":"EPA-CCD-OPERA","MW":340.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27090-63-7"}
{"Compound":"2,3-benzofuran","CAS":"271-89-6","CAS.Checksum":true,"DTXSID":"DTXSID6020141","Formula":"C8H6O","All.Compound.Names":"2,3-benzofuran|Dtxsid6020141|271-89-6","logHenry":-5.075,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.671,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.798,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.717,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.16,"MP.Reference":"EPA-CCD-OPERA","MW":118.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"271-89-6"}
{"Compound":"Di(propylene glycol) dibenzoate","CAS":"27138-31-4","CAS.Checksum":true,"DTXSID":"DTXSID6027921","Formula":"C20H22O5","All.Compound.Names":"Di(propylene glycol) dibenzoate|Dipropylene glycol, dibenzoate","MW":342.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27138-31-4"}
{"Compound":"Dodecylbenzenesulfonic acid","CAS":"27176-87-0","CAS.Checksum":true,"DTXSID":"DTXSID6027923","All.Compound.Names":"Dodecylbenzenesulfonic acid","logHenry":0.89,"logHenry.Reference":"OPERA29","logP":6.1,"logP.Reference":"OPERA29","logWSol":-7.66,"logWSol.Reference":"OPERA29","MP":-10,"MP.Reference":"OPERA29","MW":0,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27176-87-0"}
{"Compound":"Diisodecyl hexanedioate","CAS":"27178-16-1","CAS.Checksum":true,"DTXSID":"DTXSID1027924","Formula":"C26H50O4","All.Compound.Names":"Diisodecyl hexanedioate","MW":426.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27178-16-1"}
{"Compound":"(1,1,3,3-tetramethylbutyl)phenol","CAS":"27193-28-8","CAS.Checksum":true,"DTXSID":"DTXSID6027925","All.Compound.Names":"(1,1,3,3-tetramethylbutyl)phenol","logHenry":-2.71,"logHenry.Reference":"OPERA29","logP":4.96,"logP.Reference":"OPERA29","logWSol":-5.76,"logWSol.Reference":"OPERA29","MP":23,"MP.Reference":"OPERA29","MW":190.2,"MW.Reference":"OPERA29","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27193-28-8"}
{"Compound":"Dodecylphenol","CAS":"27193-86-8","CAS.Checksum":true,"DTXSID":"DTXSID1027926","Formula":"C18H30O","All.Compound.Names":"Dodecylphenol|N-dodecylphenol","MW":262.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27193-86-8"}
{"Compound":"Pifexole","CAS":"27199-40-2","CAS.Checksum":true,"DTXSID":"DTXSID6045117","Formula":"C13H8ClN3O","All.Compound.Names":"Pifexole|Dtxsid6045117|27199-40-2","logHenry":-6.23,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.426,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.381,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.4,"MP.Reference":"EPA-CCD-OPERA","MW":257.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.11","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27199-40-2"}
{"Compound":"Flubendiamide","CAS":"272451-65-7","CAS.Checksum":true,"DTXSID":"DTXSID4047672","Formula":"C23H22F7IN2O4S","All.Compound.Names":"Flubendiamide|Dtxsid4047672|272451-65-7","logHenry":-9.846,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.722,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.932,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.369,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.1,"MP.Reference":"EPA-CCD-OPERA","MW":682.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"272451-65-7"}
{"Compound":"2-ethylhexyl nitrate","CAS":"27247-96-7","CAS.Checksum":true,"DTXSID":"DTXSID1027928","Formula":"C8H17NO3","All.Compound.Names":"2-ethylhexyl nitrate|Dtxsid1027928|27247-96-7","logHenry":-2.746,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.556,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.896,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.621,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.43,"MP.Reference":"EPA-CCD-OPERA","MW":175.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27247-96-7"}
{"Compound":"Zinc neodecanoate","CAS":"27253-29-8","CAS.Checksum":true,"DTXSID":"DTXSID4047040","All.Compound.Names":"Zinc neodecanoate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27253-29-8"}
{"Compound":"Calcium neodecanoate","CAS":"27253-33-4","CAS.Checksum":true,"DTXSID":"DTXSID9044902","All.Compound.Names":"Calcium neodecanoate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27253-33-4"}
{"Compound":"Levobupivacaine hydrochloride","CAS":"27262-48-2","CAS.Checksum":true,"DTXSID":"DTXSID9046071","Formula":"C18H29ClN2O","All.Compound.Names":"Levobupivacaine hydrochloride|Dtxsid9046071|27262-48-2","logHenry":-9.572,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.202,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.558,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.08,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.2,"MP.Reference":"EPA-CCD-OPERA","MW":324.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27262-48-2"}
{"Compound":"Silwet l77","CAS":"27306-78-1","CAS.Checksum":true,"DTXSID":"DTXSID1040611","Formula":"(C2H4O)nC11H30O3Si3","All.Compound.Names":"Silwet l77|3-oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27306-78-1"}
{"Compound":"Dodecylbenzene sulfonate triethanolamine (1:1)","CAS":"27323-41-7","CAS.Checksum":true,"DTXSID":"DTXSID5027932","Formula":"C24H45NO6S","All.Compound.Names":"Dodecylbenzene sulfonate triethanolamine (1:1)|Dodecylbenzene sulfonate triethanolamine(1:1)","MW":475.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27323-41-7"}
{"Compound":"Disodium 4,4'-bis(2-sulfostyryl)biphenyl","CAS":"27344-41-8","CAS.Checksum":true,"DTXSID":"DTXSID6036467","Formula":"C28H20Na2O6S2","All.Compound.Names":"Disodium 4,4'-bis(2-sulfostyryl)biphenyl|Dtxsid6036467|27344-41-8","logHenry":-7.862,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.645,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.06,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.851,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.3,"MP.Reference":"EPA-CCD-OPERA","MW":562.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27344-41-8"}
{"Compound":"2,4-dimethoxyaniline","CAS":"2735-04-8","CAS.Checksum":true,"DTXSID":"DTXSID7043829","Formula":"C8H11NO2","All.Compound.Names":"2,4-dimethoxyaniline|Dtxsid7043829|2735-04-8","logHenry":-6.575,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.276,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.443,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.38,"MP.Reference":"EPA-CCD-OPERA","MW":153.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2735-04-8"}
{"Compound":"Dimefline hydrochloride","CAS":"2740-04-7","CAS.Checksum":true,"DTXSID":"DTXSID1046841","Formula":"C20H22ClNO3","All.Compound.Names":"Dimefline hydrochloride|Dtxsid1046841|2740-04-7","logHenry":-8.493,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.803,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.622,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.792,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.5,"MP.Reference":"EPA-CCD-OPERA","MW":359.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2740-04-7"}
{"Compound":"Dibenzoyl-l-tartaric acid","CAS":"2743-38-6","CAS.Checksum":true,"DTXSID":"DTXSID6033401","Formula":"C18H14O8","All.Compound.Names":"Dibenzoyl-l-tartaric acid|Dtxsid6033401|2743-38-6","logHenry":-10.38,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.29,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.053,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.245,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.1,"MP.Reference":"EPA-CCD-OPERA","MW":358.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2743-38-6"}
{"Compound":"1-(bis(4-fluorophenyl)methyl)piperazine","CAS":"27469-60-9","CAS.Checksum":true,"DTXSID":"DTXSID8057699","Formula":"C17H18F2N2","All.Compound.Names":"1-(bis(4-fluorophenyl)methyl)piperazine|Dtxsid8057699|27469-60-9","logHenry":-7.261,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.71,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.946,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.075,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.9,"MP.Reference":"EPA-CCD-OPERA","MW":288.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27469-60-9"}
{"Compound":"Suxibuzone","CAS":"27470-51-5","CAS.Checksum":true,"DTXSID":"DTXSID6021296","Formula":"C24H26N2O6","All.Compound.Names":"Suxibuzone|Dtxsid6021296|27470-51-5","logHenry":-7.736,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.176,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.071,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.074,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.2,"MP.Reference":"EPA-CCD-OPERA","MW":438.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27470-51-5"}
{"Compound":"Miripirium chloride","CAS":"2748-88-1","CAS.Checksum":true,"DTXSID":"DTXSID2046834","Formula":"C20H36ClN","All.Compound.Names":"Miripirium chloride|Dtxsid2046834|2748-88-1","logHenry":-5.72,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3999,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.445,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.257,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.5,"MP.Reference":"EPA-CCD-OPERA","MW":326,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2748-88-1"}
{"Compound":"Ensulizole","CAS":"27503-81-7","CAS.Checksum":true,"DTXSID":"DTXSID3038852","Formula":"C13H10N2O3S","All.Compound.Names":"Ensulizole|Dtxsid3038852|27503-81-7","logHenry":-10.47,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.965,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.341,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.427,"logWSol.Reference":"EPA-CCD-OPERA","MP":227,"MP.Reference":"EPA-CCD-OPERA","MW":274.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27503-81-7"}
{"Compound":"Troleandomycin","CAS":"2751-09-9","CAS.Checksum":true,"DTXSID":"DTXSID2023721","Formula":"C41H67NO15","All.Compound.Names":"Troleandomycin|Dtxsid2023721|2751-09-9","logHenry":-5.04,"logHenry.Reference":"OPERA29","logP":3.26,"logP.Reference":"OPERA29","logWSol":-4.63,"logWSol.Reference":"OPERA29","MP":102,"MP.Reference":"OPERA29","MW":814,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2751-09-9"}
{"Compound":"Eterobarb","CAS":"27511-99-5","CAS.Checksum":true,"DTXSID":"DTXSID9045710","Formula":"C16H20N2O5","All.Compound.Names":"Eterobarb|Dtxsid9045710|27511-99-5","logHenry":-8.501,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.854,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.869,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.293,"logWSol.Reference":"EPA-CCD-OPERA","MP":117,"MP.Reference":"EPA-CCD-OPERA","MW":320.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27511-99-5"}
{"Compound":"2,2'-oxybis(ethylamine)","CAS":"2752-17-2","CAS.Checksum":true,"DTXSID":"DTXSID7041914","Formula":"C4H12N2O","All.Compound.Names":"2,2'-oxybis(ethylamine)|Dtxsid7041914|2752-17-2","logHenry":-8.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3616,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.752,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.039,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.709,"MP.Reference":"EPA-CCD-OPERA","MW":104.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2752-17-2"}
{"Compound":"Isoconazole","CAS":"27523-40-6","CAS.Checksum":true,"DTXSID":"DTXSID7045447","Formula":"C18H14Cl4N2O","All.Compound.Names":"Isoconazole|Dtxsid7045447|27523-40-6","logHenry":-5.534,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.258,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.438,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.184,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.9,"MP.Reference":"EPA-CCD-OPERA","MW":416.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27523-40-6"}
{"Compound":"Diisooctyl phthalate","CAS":"27554-26-3","CAS.Checksum":true,"DTXSID":"DTXSID0027933","Formula":"C24H38O4","All.Compound.Names":"Diisooctyl phthalate","MW":390.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27554-26-3"}
{"Compound":"Isobornyl propanoate","CAS":"2756-56-1","CAS.Checksum":true,"DTXSID":"DTXSID2042062","Formula":"C13H22O2","All.Compound.Names":"Isobornyl propanoate|Dtxsid2042062","logHenry":-3.1,"logHenry.Reference":"OPERA29","logP":5,"logP.Reference":"OPERA29","logWSol":-4.02,"logWSol.Reference":"OPERA29","MP":-20,"MP.Reference":"OPERA29","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2756-56-1"}
{"Compound":"Azosemide","CAS":"27589-33-9","CAS.Checksum":true,"DTXSID":"DTXSID7046910","Formula":"C12H11ClN6O2S2","All.Compound.Names":"Azosemide|27589-33-9|Dtxsid7046910","logHenry":-9.634,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.5,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.783,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.555,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.5,"MP.Reference":"EPA-CCD-OPERA","MW":370.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.1,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"27589-33-9"}
{"Compound":"Cypromid","CAS":"2759-71-9","CAS.Checksum":true,"DTXSID":"DTXSID3041827","Formula":"C10H9Cl2NO","All.Compound.Names":"Cypromid|Dtxsid3041827|2759-71-9","logHenry":-8.943,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.726,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.108,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.389,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.6,"MP.Reference":"EPA-CCD-OPERA","MW":230.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2759-71-9"}
{"Compound":"Tilorone","CAS":"27591-97-5","CAS.Checksum":true,"DTXSID":"DTXSID1045958","Formula":"C25H34N2O3","All.Compound.Names":"Tilorone|Dtxsid1045958|27591-97-5","logHenry":-6.14,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.814,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.872,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.62,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.5,"MP.Reference":"EPA-CCD-OPERA","MW":410.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27591-97-5"}
{"Compound":"6-pentyl-2h-pyran-2-one","CAS":"27593-23-3","CAS.Checksum":true,"DTXSID":"DTXSID0047589","Formula":"C10H14O2","All.Compound.Names":"6-pentyl-2h-pyran-2-one|6-amyl-alpha-pyrone|Dtxsid0047589","logHenry":-5.207,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.231,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.848,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.513,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.13,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27593-23-3"}
{"Compound":"1,3-benzenedicarboxylic acid, dihydrazide","CAS":"2760-98-7","CAS.Checksum":true,"DTXSID":"DTXSID2038813","Formula":"C8H10N4O2","All.Compound.Names":"1,3-benzenedicarboxylic acid, dihydrazide|Isophthalyl dihydrazide|Dtxsid2038813|2760-98-7","logHenry":-9.807,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4259,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.607,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9767,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.6,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.27","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2760-98-7"}
{"Compound":"Triethoxypentylsilane","CAS":"2761-24-2","CAS.Checksum":true,"DTXSID":"DTXSID1042491","Formula":"C11H26O3Si","All.Compound.Names":"Triethoxypentylsilane|Dtxsid1042491","logHenry":-4.287,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.209,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.518,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.971,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.975,"MP.Reference":"EPA-CCD-OPERA","MW":234.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2761-24-2"}
{"Compound":"Pargeverine hydrochloride","CAS":"2765-97-1","CAS.Checksum":true,"DTXSID":"DTXSID4046442","Formula":"C21H24ClNO3","All.Compound.Names":"Pargeverine hydrochloride|Dtxsid4046442|2765-97-1","logHenry":-8.763,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7135,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.104,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.87,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.6,"MP.Reference":"EPA-CCD-OPERA","MW":373.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2765-97-1"}
{"Compound":"Benaxibine","CAS":"27661-27-4","CAS.Checksum":true,"DTXSID":"DTXSID9046102","Formula":"C12H15NO6","All.Compound.Names":"Benaxibine|Dtxsid9046102|27661-27-4","logHenry":-9.647,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9296,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.4,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.212,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.2,"MP.Reference":"EPA-CCD-OPERA","MW":269.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.64","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27661-27-4"}
{"Compound":"N,n-dimethyl-n-(3-(trimethoxysilyl)propyl) octadecan-1-aminium chloride","CAS":"27668-52-6","CAS.Checksum":true,"DTXSID":"DTXSID4035542","Formula":"C26H58ClNO3Si","All.Compound.Names":"N,n-dimethyl-n-(3-(trimethoxysilyl)propyl) octadecan-1-aminium chloride|Dtxsid4035542|27668-52-6","logHenry":-6.162,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.594,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.138,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.744,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.7,"MP.Reference":"EPA-CCD-OPERA","MW":496.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27668-52-6"}
{"Compound":"Triethyltin bromide","CAS":"2767-54-6","CAS.Checksum":true,"DTXSID":"DTXSID9040712","Formula":"C6H15BrSn","All.Compound.Names":"Triethyltin bromide","MW":285.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2767-54-6"}
{"Compound":"Vinyltrimethoxysilane","CAS":"2768-02-7","CAS.Checksum":true,"DTXSID":"DTXSID2029240","Formula":"C5H12O3Si","All.Compound.Names":"Vinyltrimethoxysilane|Dtxsid2029240","logHenry":-3.822,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.596,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.666,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2092,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.855,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2768-02-7"}
{"Compound":"Masoprocol","CAS":"27686-84-6","CAS.Checksum":true,"DTXSID":"DTXSID5045178","Formula":"C18H22O4","All.Compound.Names":"Masoprocol|Dtxsid5045178|27686-84-6","logHenry":-8.904,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.091,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.312,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.665,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.6,"MP.Reference":"EPA-CCD-OPERA","MW":302.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27686-84-6"}
{"Compound":"Cetraxate hydrochloride","CAS":"27724-96-5","CAS.Checksum":true,"DTXSID":"DTXSID3046459","Formula":"C17H24ClNO4","All.Compound.Names":"Cetraxate hydrochloride|Dtxsid3046459|27724-96-5","logHenry":-9.585,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1977,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.436,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.196,"logWSol.Reference":"EPA-CCD-OPERA","MP":223.8,"MP.Reference":"EPA-CCD-OPERA","MW":341.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.63","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27724-96-5"}
{"Compound":"Dimethisoquin hydrochloride","CAS":"2773-92-4","CAS.Checksum":true,"DTXSID":"DTXSID6045373","Formula":"C17H25ClN2O","All.Compound.Names":"Dimethisoquin hydrochloride|Dtxsid6045373|2773-92-4","logHenry":-5.674,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6013,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.235,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.651,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.5,"MP.Reference":"EPA-CCD-OPERA","MW":308.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2773-92-4"}
{"Compound":"Isononanamine","CAS":"27775-00-4","CAS.Checksum":true,"DTXSID":"DTXSID6044484","All.Compound.Names":"Isononanamine","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27775-00-4"}
{"Compound":"1,3-bis(2-isocyanatopropan-2-yl)benzene","CAS":"2778-42-9","CAS.Checksum":true,"DTXSID":"DTXSID4027498","Formula":"C14H16N2O2","All.Compound.Names":"1,3-bis(2-isocyanatopropan-2-yl)benzene|1,3-bis(2-isocyanato-2-propyl)benzene|Dtxsid4027498|2778-42-9","logHenry":-6.587,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.457,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.288,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.95,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.68,"MP.Reference":"EPA-CCD-OPERA","MW":244.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.44","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2778-42-9"}
{"Compound":"Opiniazide","CAS":"2779-55-7","CAS.Checksum":true,"DTXSID":"DTXSID6046185","Formula":"C16H15N3O5","All.Compound.Names":"Opiniazide|Dtxsid6046185|2779-55-7","logHenry":-9.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.95,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.847,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.77,"logWSol.Reference":"EPA-CCD-OPERA","MP":182,"MP.Reference":"EPA-CCD-OPERA","MW":329.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2779-55-7"}
{"Compound":"Phosphonic acid, [[bis(2-hydroxyethyl)amino]methyl]-, diethyl ester","CAS":"2781-11-5","CAS.Checksum":true,"DTXSID":"DTXSID2029242","Formula":"C9H22NO5P","All.Compound.Names":"Phosphonic acid, [[bis(2-hydroxyethyl)amino]methyl]-, diethyl ester|Diethyl (n,n-bis(2-hydroxyethyl)amino)methanephosphonate|Dtxsid2029242|2781-11-5","logHenry":-9.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7196,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.133,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5291,"logWSol.Reference":"EPA-CCD-OPERA","MP":91.58,"MP.Reference":"EPA-CCD-OPERA","MW":255.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2781-11-5"}
{"Compound":"Hydroxypropyl methacrylate","CAS":"27813-02-1","CAS.Checksum":true,"DTXSID":"DTXSID5027936","Formula":"C4H5O2","All.Compound.Names":"Hydroxypropyl methacrylate","MW":85.08,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27813-02-1"}
{"Compound":"Troclosene","CAS":"2782-57-2","CAS.Checksum":true,"DTXSID":"DTXSID8024993","Formula":"C3HCl2N3O3","All.Compound.Names":"Troclosene|Dichloro-1,3,5-triazinetrione|Dtxsid8024993|2782-57-2","logHenry":-8.4,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3571,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.579,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.227,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.3,"MP.Reference":"EPA-CCD-OPERA","MW":198,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2782-57-2"}
{"Compound":"Loxapine succinate","CAS":"27833-64-3","CAS.Checksum":true,"DTXSID":"DTXSID3045227","Formula":"C22H24ClN3O5","All.Compound.Names":"Loxapine succinate|Dtxsid3045227|27833-64-3","logHenry":-8.139,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6811,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.067,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.934,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.1,"MP.Reference":"EPA-CCD-OPERA","MW":445.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"12.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27833-64-3"}
{"Compound":"Nicergoline","CAS":"27848-84-6","CAS.Checksum":true,"DTXSID":"DTXSID7045607","Formula":"C24H26BrN3O3","All.Compound.Names":"Nicergoline|27848-84-6|Dtxsid7045607","logHenry":-7.546,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.384,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.296,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.669,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.8,"MP.Reference":"EPA-CCD-OPERA","MW":484.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.05,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"27848-84-6"}
{"Compound":"4-ethyl-2-methoxyphenol","CAS":"2785-89-9","CAS.Checksum":true,"DTXSID":"DTXSID0047038","Formula":"C9H12O2","All.Compound.Names":"4-ethyl-2-methoxyphenol|Dtxsid0047038|2785-89-9","logHenry":-6.557,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.104,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.994,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.81,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2785-89-9"}
{"Compound":"Titanium(4+) bis[(2e)-4-oxohex-2-en-2-olate] dipropan-2-olate","CAS":"27858-32-8","CAS.Checksum":true,"DTXSID":"DTXSID4044903","Formula":"C18H32O8Ti","All.Compound.Names":"Titanium(4+) bis[(2e)-4-oxohex-2-en-2-olate] dipropan-2-olate","MW":424.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27858-32-8"}
{"Compound":"Tolindate","CAS":"27877-51-6","CAS.Checksum":true,"DTXSID":"DTXSID8048818","Formula":"C18H19NOS","All.Compound.Names":"Tolindate|Dtxsid8048818|27877-51-6","logHenry":-8.128,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.207,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.628,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.384,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.6,"MP.Reference":"EPA-CCD-OPERA","MW":297.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27877-51-6"}
{"Compound":"(2r,3r)-2,3-dimercaptosuccinic acid","CAS":"27887-84-9","CAS.Checksum":true,"DTXSID":"DTXSID6045084","Formula":"C4H6O4S2","All.Compound.Names":"(2r,3r)-2,3-dimercaptosuccinic acid|Dtxsid6045084|27887-84-9","logHenry":-9.378,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.08885,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.677,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.295,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.9,"MP.Reference":"EPA-CCD-OPERA","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27887-84-9"}
{"Compound":"Levobunolol hydrochloride","CAS":"27912-14-7","CAS.Checksum":true,"DTXSID":"DTXSID6020777","Formula":"C17H26ClNO3","All.Compound.Names":"Levobunolol hydrochloride|Dtxsid6020777|27912-14-7","logHenry":-8.952,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.388,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.553,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.676,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.4,"MP.Reference":"EPA-CCD-OPERA","MW":327.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27912-14-7"}
{"Compound":"Nicomolol","CAS":"27959-26-8","CAS.Checksum":true,"DTXSID":"DTXSID9048722","Formula":"C34H32N4O9","All.Compound.Names":"Nicomolol|Dtxsid9048722|27959-26-8","logHenry":-10.95,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.104,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.275,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.002,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.5,"MP.Reference":"EPA-CCD-OPERA","MW":640.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27959-26-8"}
{"Compound":"Cimicifugoside","CAS":"27994-11-2","CAS.Checksum":true,"DTXSID":"DTXSID0033334","Formula":"C35H56O9","All.Compound.Names":"Cimicifugoside|Dtxsid0033334|27994-11-2","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.712,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.805,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.081,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.1,"MP.Reference":"EPA-CCD-OPERA","MW":620.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27994-11-2"}
{"Compound":"1,4-diazabicyclo[2.2.2]octane","CAS":"280-57-9","CAS.Checksum":true,"DTXSID":"DTXSID0022016","Formula":"C6H12N2","All.Compound.Names":"1,4-diazabicyclo[2.2.2]octane|Dtxsid0022016|280-57-9","logHenry":-5.212,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1525,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.021,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6052,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.8,"MP.Reference":"EPA-CCD-OPERA","MW":112.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"280-57-9"}
{"Compound":"Sulbenicillin disodium","CAS":"28002-18-8","CAS.Checksum":true,"DTXSID":"DTXSID2048618","Formula":"C16H16N2Na2O7S2","All.Compound.Names":"Sulbenicillin disodium|Dtxsid2048618|28002-18-8","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8161,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.2,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.296,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.7,"MP.Reference":"EPA-CCD-OPERA","MW":458.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28002-18-8"}
{"Compound":"Trans-2,cis-6-nonadien-1-ol","CAS":"28069-72-9","CAS.Checksum":true,"DTXSID":"DTXSID7047192","Formula":"C9H16O","All.Compound.Names":"Trans-2,cis-6-nonadien-1-ol|Dtxsid7047192|28069-72-9","logHenry":-5.128,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.013,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.453,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.295,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.173,"MP.Reference":"EPA-CCD-OPERA","MW":140.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28069-72-9"}
{"Compound":"Acetaldehyde ethyl cis-3-hexenyl acetal","CAS":"28069-74-1","CAS.Checksum":true,"DTXSID":"DTXSID4047418","Formula":"C10H20O2","All.Compound.Names":"Acetaldehyde ethyl cis-3-hexenyl acetal|Dtxsid4047418","logHenry":-3.108,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.587,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.413,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.895,"logWSol.Reference":"EPA-CCD-OPERA","MP":-76.4,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28069-74-1"}
{"Compound":"2-propoxyethanol","CAS":"2807-30-9","CAS.Checksum":true,"DTXSID":"DTXSID1027500","Formula":"C5H12O2","All.Compound.Names":"2-propoxyethanol|Dtxsid1027500|2807-30-9","logHenry":-6.101,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3219,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.074,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8718,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.372,"MP.Reference":"EPA-CCD-OPERA","MW":104.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2807-30-9"}
{"Compound":"Etidronic acid","CAS":"2809-21-4","CAS.Checksum":true,"DTXSID":"DTXSID6023028","Formula":"C2H8O7P2","All.Compound.Names":"Etidronic acid|2809-21-4|Dtxsid6023028","logHenry":-8.619,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3576,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.822,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5243,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.8,"MP.Reference":"EPA-CCD-OPERA","MW":206,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.05,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"2809-21-4"}
{"Compound":"Oxidopamine hydrochloride","CAS":"28094-15-7","CAS.Checksum":true,"DTXSID":"DTXSID0045838","Formula":"C8H12ClNO3","All.Compound.Names":"Oxidopamine hydrochloride|Dtxsid0045838|28094-15-7","logHenry":-9.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.452,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.856,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4901,"logWSol.Reference":"EPA-CCD-OPERA","MP":208.3,"MP.Reference":"EPA-CCD-OPERA","MW":205.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28094-15-7"}
{"Compound":"2-isopropyl-6-methyl-4-pyrimidone","CAS":"2814-20-2","CAS.Checksum":true,"DTXSID":"DTXSID1027502","Formula":"C8H12N2O","All.Compound.Names":"2-isopropyl-6-methyl-4-pyrimidone|Dtxsid1027502|2814-20-2","logHenry":-4.791,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5501,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.816,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.282,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.7,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2814-20-2"}
{"Compound":"Cybutryne","CAS":"28159-98-0","CAS.Checksum":true,"DTXSID":"DTXSID3032416","Formula":"C11H19N5S","All.Compound.Names":"Cybutryne|Dtxsid3032416|28159-98-0","logHenry":-7.652,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.68,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.528,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.831,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.36,"MP.Reference":"EPA-CCD-OPERA","MW":253.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.76","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28159-98-0"}
{"Compound":"5-chloro-2-methyl-1h-benzimidazole","CAS":"2818-69-1","CAS.Checksum":true,"DTXSID":"DTXSID8024787","Formula":"C8H7ClN2","All.Compound.Names":"5-chloro-2-methyl-1h-benzimidazole|Dtxsid8024787|2818-69-1","logHenry":-6.794,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.342,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.438,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.145,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.7,"MP.Reference":"EPA-CCD-OPERA","MW":166.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2818-69-1"}
{"Compound":"4,7-methano-1h-indene, octahydro-, (3ar,4s,7r,7as)-rel-","CAS":"2825-82-3","CAS.Checksum":true,"DTXSID":"DTXSID2029244","Formula":"C10H16","All.Compound.Names":"4,7-methano-1h-indene, octahydro-, (3ar,4s,7r,7as)-rel-|Octahydro-exo-4,7-methano-1h-indene|Dtxsid2029244","logHenry":-2.106,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.38,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2229,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.85,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.2,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2825-82-3"}
{"Compound":"Rolicyprine","CAS":"2829-19-8","CAS.Checksum":true,"DTXSID":"DTXSID7046259","Formula":"C14H16N2O2","All.Compound.Names":"Rolicyprine|Dtxsid7046259|2829-19-8","logHenry":-9.612,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.401,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.789,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.486,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.8,"MP.Reference":"EPA-CCD-OPERA","MW":244.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2829-19-8"}
{"Compound":"Antimony potassium tartrate trihydrate","CAS":"28300-74-5","CAS.Checksum":true,"DTXSID":"DTXSID3039240","Formula":"C8H10K2O15Sb2","All.Compound.Names":"Antimony potassium tartrate trihydrate|Dtxsid3039240|28300-74-5","logHenry":-12.38,"logHenry.Reference":"OPERA29","logP":-2.17,"logP.Reference":"OPERA29","logWSol":0.47,"logWSol.Reference":"OPERA29","MP":157,"MP.Reference":"OPERA29","MW":667.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28300-74-5"}
{"Compound":"5-hydroxy-1-tetralone","CAS":"28315-93-7","CAS.Checksum":true,"DTXSID":"DTXSID0057700","Formula":"C10H10O2","All.Compound.Names":"5-hydroxy-1-tetralone|Dtxsid0057700|28315-93-7","logHenry":-8.263,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.045,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.528,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.589,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.45,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28315-93-7"}
{"Compound":"2-chloro-n-(hydroxymethyl)acetamide","CAS":"2832-19-1","CAS.Checksum":true,"DTXSID":"DTXSID2041412","Formula":"C3H6ClNO2","All.Compound.Names":"2-chloro-n-(hydroxymethyl)acetamide|Dtxsid2041412","logHenry":-7.824,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.061,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.658,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7938,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.08,"MP.Reference":"EPA-CCD-OPERA","MW":123.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2832-19-1"}
{"Compound":"C.i. disperse yellow 3","CAS":"2832-40-8","CAS.Checksum":true,"DTXSID":"DTXSID6021450","Formula":"C15H15N3O2","All.Compound.Names":"C.i. disperse yellow 3|Dtxsid6021450|2832-40-8","logHenry":-9.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.749,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.383,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.359,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.9,"MP.Reference":"EPA-CCD-OPERA","MW":269.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2832-40-8"}
{"Compound":"Allyl isovalerate","CAS":"2835-39-4","CAS.Checksum":true,"DTXSID":"DTXSID4039233","Formula":"C8H14O2","All.Compound.Names":"Allyl isovalerate|Dtxsid4039233","logHenry":-3.369,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.56,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.181,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.015,"logWSol.Reference":"EPA-CCD-OPERA","MP":-67.03,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2835-39-4"}
{"Compound":"4-aminobenzamide","CAS":"2835-68-9","CAS.Checksum":true,"DTXSID":"DTXSID7038814","Formula":"C7H8N2O","All.Compound.Names":"4-aminobenzamide|Dtxsid7038814|2835-68-9","logHenry":-9.328,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4047,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.351,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7867,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.9,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2835-68-9"}
{"Compound":"2-amino-m-cresol","CAS":"2835-97-4","CAS.Checksum":true,"DTXSID":"DTXSID7049261","Formula":"C7H9NO","All.Compound.Names":"2-amino-m-cresol|Dtxsid7049261|2835-97-4","logHenry":-7.298,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7664,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.013,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.312,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.6,"MP.Reference":"EPA-CCD-OPERA","MW":123.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2835-97-4"}
{"Compound":"4-amino-m-cresol","CAS":"2835-99-6","CAS.Checksum":true,"DTXSID":"DTXSID2049262","Formula":"C7H9NO","All.Compound.Names":"4-amino-m-cresol|Dtxsid2049262|2835-99-6","logHenry":-7.041,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.287,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.574,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8706,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.9,"MP.Reference":"EPA-CCD-OPERA","MW":123.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"86.3,38.3,194","Human.Caco2.Pab.Reference":"Obringer","Chemical.Class":"","_row":"2835-99-6"}
{"Compound":"Spiromesifen","CAS":"283594-90-1","CAS.Checksum":true,"DTXSID":"DTXSID1034929","Formula":"C23H30O4","All.Compound.Names":"Spiromesifen|Dtxsid1034929","logHenry":-7.838,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.546,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.19,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.45,"logWSol.Reference":"EPA-CCD-OPERA","MP":115.7,"MP.Reference":"EPA-CCD-OPERA","MW":370.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"283594-90-1"}
{"Compound":"3-amino-4-chlorobenzoic acid","CAS":"2840-28-0","CAS.Checksum":true,"DTXSID":"DTXSID8044414","Formula":"C7H6ClNO2","All.Compound.Names":"3-amino-4-chlorobenzoic acid|Dtxsid8044414|2840-28-0","logHenry":-8.538,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.36,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.565,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.274,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.9,"MP.Reference":"EPA-CCD-OPERA","MW":171.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2840-28-0"}
{"Compound":"Bioresmethrin","CAS":"28434-01-7","CAS.Checksum":true,"DTXSID":"DTXSID2034382","Formula":"C22H26O3","All.Compound.Names":"Bioresmethrin|Dtxsid2034382|28434-01-7","logHenry":-7.488,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.14,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.052,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.646,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.42,"MP.Reference":"EPA-CCD-OPERA","MW":338.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28434-01-7"}
{"Compound":"Sevoflurane","CAS":"28523-86-6","CAS.Checksum":true,"DTXSID":"DTXSID8046614","Formula":"C4H3F7O","All.Compound.Names":"Sevoflurane|Dtxsid8046614","logHenry":-2.297,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.818,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6107,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.31,"logWSol.Reference":"EPA-CCD-OPERA","MP":-117.6,"MP.Reference":"EPA-CCD-OPERA","MW":200.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"28523-86-6"}
{"Compound":"Isophorone diamine","CAS":"2855-13-2","CAS.Checksum":true,"DTXSID":"DTXSID6027503","Formula":"C10H22N2","All.Compound.Names":"Isophorone diamine|Dtxsid6027503|2855-13-2","logHenry":-6.413,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.007,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.833,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.463,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.924,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2855-13-2"}
{"Compound":"1,2-epoxydodecane","CAS":"2855-19-8","CAS.Checksum":true,"DTXSID":"DTXSID9025243","Formula":"C12H24O","All.Compound.Names":"1,2-epoxydodecane|Dtxsid9025243","logHenry":-2.894,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.508,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3013,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.182,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.029,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2855-19-8"}
{"Compound":"Dinp","CAS":"28553-12-0","CAS.Checksum":true,"DTXSID":"DTXSID4022521","All.Compound.Names":"Dinp|Diisononyl phthalate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28553-12-0"}
{"Compound":"Azabuperone","CAS":"2856-81-7","CAS.Checksum":true,"DTXSID":"DTXSID1046186","Formula":"C17H23FN2O","All.Compound.Names":"Azabuperone|Dtxsid1046186|2856-81-7","logHenry":-7.707,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.801,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.924,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.257,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.4,"MP.Reference":"EPA-CCD-OPERA","MW":290.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2856-81-7"}
{"Compound":"2-methyl-3-furanthiol","CAS":"28588-74-1","CAS.Checksum":true,"DTXSID":"DTXSID5047118","Formula":"C5H6OS","All.Compound.Names":"2-methyl-3-furanthiol|Dtxsid5047118|28588-74-1","logHenry":-5.015,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.881,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.803,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.599,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.56,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28588-74-1"}
{"Compound":"Bis(2-methyl-3-furyl)disulfide","CAS":"28588-75-2","CAS.Checksum":true,"DTXSID":"DTXSID9047673","Formula":"C10H10O2S2","All.Compound.Names":"Bis(2-methyl-3-furyl)disulfide|Dtxsid9047673|28588-75-2","logHenry":-4.155,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.191,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.323,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.676,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.2,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28588-75-2"}
{"Compound":"3-(3-pyridyl)-1-propanol","CAS":"2859-67-8","CAS.Checksum":true,"DTXSID":"DTXSID5022198","Formula":"C8H11NO","All.Compound.Names":"3-(3-pyridyl)-1-propanol|Dtxsid5022198|2859-67-8","logHenry":-6.521,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5995,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.167,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.00998,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.21,"MP.Reference":"EPA-CCD-OPERA","MW":137.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2859-67-8"}
{"Compound":"Doramapimod","CAS":"285983-48-4","CAS.Checksum":true,"DTXSID":"DTXSID2048957","Formula":"C31H37N5O3","All.Compound.Names":"Doramapimod|Dtxsid2048957|285983-48-4","logHenry":-7.609,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.957,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.783,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.324,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.8,"MP.Reference":"EPA-CCD-OPERA","MW":527.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"10,4.44,22.5","Human.Caco2.Pab.Reference":"ChEMBL","Human.Clint":"42.66","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"285983-48-4"}
{"Compound":"C.i. acid blue 22","CAS":"28631-66-5","CAS.Checksum":true,"DTXSID":"DTXSID9044904","All.Compound.Names":"C.i. acid blue 22","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28631-66-5"}
{"Compound":"1-butyl-2-methylpyridinium tetrafluoroborate","CAS":"286453-46-1","CAS.Checksum":true,"DTXSID":"DTXSID7049263","Formula":"C10H16BF4N","All.Compound.Names":"1-butyl-2-methylpyridinium tetrafluoroborate|Dtxsid7049263|286453-46-1","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5905,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.903,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.79,"MP.Reference":"EPA-CCD-OPERA","MW":237,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"286453-46-1"}
{"Compound":"Cinoxacin","CAS":"28657-80-9","CAS.Checksum":true,"DTXSID":"DTXSID8022822","Formula":"C12H10N2O5","All.Compound.Names":"Cinoxacin|28657-80-9|Dtxsid8022822","logHenry":-9.511,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.383,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.224,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.443,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.7,"MP.Reference":"EPA-CCD-OPERA","MW":262.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.725,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"28657-80-9"}
{"Compound":"4,5-dimethyl-3-hydroxy-2,5-dihydrofuran-2-one","CAS":"28664-35-9","CAS.Checksum":true,"DTXSID":"DTXSID4047674","Formula":"C6H8O3","All.Compound.Names":"4,5-dimethyl-3-hydroxy-2,5-dihydrofuran-2-one|Dtxsid4047674","logHenry":-6.216,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3769,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.933,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.09425,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.28,"MP.Reference":"EPA-CCD-OPERA","MW":128.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28664-35-9"}
{"Compound":"2-(dimethylamino)ethyl methacrylate","CAS":"2867-47-2","CAS.Checksum":true,"DTXSID":"DTXSID1027504","Formula":"C8H15NO2","All.Compound.Names":"2-(dimethylamino)ethyl methacrylate|Dtxsid1027504|2867-47-2","logHenry":-4.496,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1474,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.373,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2794,"logWSol.Reference":"EPA-CCD-OPERA","MP":-30.11,"MP.Reference":"EPA-CCD-OPERA","MW":157.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2867-47-2"}
{"Compound":"Cyclopentane","CAS":"287-92-3","CAS.Checksum":true,"DTXSID":"DTXSID6024886","Formula":"C5H10","All.Compound.Names":"Cyclopentane|Dtxsid6024886","logHenry":-0.817,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.999,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2178,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.644,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61,"MP.Reference":"EPA-CCD-OPERA","MW":70.14,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"287-92-3"}
{"Compound":"C.i. direct yellow 12","CAS":"2870-32-8","CAS.Checksum":true,"DTXSID":"DTXSID5041728","Formula":"C30H26N4Na2O8S2","All.Compound.Names":"C.i. direct yellow 12|Dtxsid5041728|2870-32-8","logHenry":-8.632,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.451,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.269,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.591,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.7,"MP.Reference":"EPA-CCD-OPERA","MW":680.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2870-32-8"}
{"Compound":"Atropine methylbromide","CAS":"2870-71-5","CAS.Checksum":true,"DTXSID":"DTXSID2045103","Formula":"C18H26BrNO3","All.Compound.Names":"Atropine methylbromide|Dtxsid2045103|2870-71-5","logHenry":-9.166,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.215,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.83,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.92,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.7,"MP.Reference":"EPA-CCD-OPERA","MW":384.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2870-71-5"}
{"Compound":"Hc red 3","CAS":"2871-01-4","CAS.Checksum":true,"DTXSID":"DTXSID2021236","Formula":"C8H11N3O3","All.Compound.Names":"Hc red 3|Dtxsid2021236|2871-01-4","logHenry":-7.045,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1124,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.211,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.061,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.7,"MP.Reference":"EPA-CCD-OPERA","MW":197.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2871-01-4"}
{"Compound":"Oxcarbazepine","CAS":"28721-07-5","CAS.Checksum":true,"DTXSID":"DTXSID0045703","Formula":"C15H12N2O2","All.Compound.Names":"Oxcarbazepine|28721-07-5|Dtxsid0045703","logHenry":-7.992,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.169,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.107,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.889,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.4,"MP.Reference":"EPA-CCD-OPERA","MW":252.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.95,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"28721-07-5"}
{"Compound":"Polybrene","CAS":"28728-55-4","CAS.Checksum":true,"DTXSID":"DTXSID7037684","All.Compound.Names":"Polybrene","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28728-55-4"}
{"Compound":"Diacetone acrylamide","CAS":"2873-97-4","CAS.Checksum":true,"DTXSID":"DTXSID1024916","Formula":"C9H15NO2","All.Compound.Names":"Diacetone acrylamide|Dtxsid1024916|2873-97-4","logHenry":-8.675,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7951,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.979,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2471,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.58,"MP.Reference":"EPA-CCD-OPERA","MW":169.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2873-97-4"}
{"Compound":"Methfuroxam","CAS":"28730-17-8","CAS.Checksum":true,"DTXSID":"DTXSID8042137","Formula":"C14H15NO2","All.Compound.Names":"Methfuroxam|Dtxsid8042137","logHenry":-9.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.778,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.473,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.308,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.62,"MP.Reference":"EPA-CCD-OPERA","MW":229.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28730-17-8"}
{"Compound":"Methyl 1-naphthaleneacetate","CAS":"2876-78-0","CAS.Checksum":true,"DTXSID":"DTXSID2042143","Formula":"C13H12O2","All.Compound.Names":"Methyl 1-naphthaleneacetate|Dtxsid2042143","logHenry":-5.176,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.282,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.546,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.206,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.09,"MP.Reference":"EPA-CCD-OPERA","MW":200.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2876-78-0"}
{"Compound":"4,4'-methylenebis(n,n-diglycidylaniline)","CAS":"28768-32-3","CAS.Checksum":true,"DTXSID":"DTXSID0042248","Formula":"C25H30N2O4","All.Compound.Names":"4,4'-methylenebis(n,n-diglycidylaniline)|Dtxsid0042248|28768-32-3","logHenry":-6.395,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.823,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.858,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.685,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.8,"MP.Reference":"EPA-CCD-OPERA","MW":422.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28768-32-3"}
{"Compound":"Bromadiolone","CAS":"28772-56-7","CAS.Checksum":true,"DTXSID":"DTXSID9032589","Formula":"C30H23BrO4","All.Compound.Names":"Bromadiolone|Dtxsid9032589|28772-56-7","logHenry":-11.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.527,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.642,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.461,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.7,"MP.Reference":"EPA-CCD-OPERA","MW":527.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28772-56-7"}
{"Compound":"2,5-furandione, dihydro-3-(octadecenyl)-","CAS":"28777-98-2","CAS.Checksum":true,"DTXSID":"DTXSID9027948","All.Compound.Names":"2,5-furandione, dihydro-3-(octadecenyl)-|Dihydro-3-(octadecenyl)-2,5-furandione","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28777-98-2"}
{"Compound":"Imidazole","CAS":"288-32-4","CAS.Checksum":true,"DTXSID":"DTXSID2029616","Formula":"C3H4N2","All.Compound.Names":"Imidazole|Dtxsid2029616|288-32-4","logHenry":-5.898,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.07969,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.366,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7652,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.45,"MP.Reference":"EPA-CCD-OPERA","MW":68.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"288-32-4"}
{"Compound":"1h-1,2,4-triazole","CAS":"288-88-0","CAS.Checksum":true,"DTXSID":"DTXSID6027131","Formula":"C2H3N3","All.Compound.Names":"1h-1,2,4-triazole|Dtxsid6027131|288-88-0","logHenry":-6.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5791,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.288,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.08196,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.14,"MP.Reference":"EPA-CCD-OPERA","MW":69.07,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"288-88-0"}
{"Compound":"Dimethylnaphthalene","CAS":"28804-88-8","CAS.Checksum":true,"DTXSID":"DTXSID7025130","All.Compound.Names":"Dimethylnaphthalene","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28804-88-8"}
{"Compound":"Ethyl bromophenylacetate","CAS":"2882-19-1","CAS.Checksum":true,"DTXSID":"DTXSID8041951","Formula":"C10H11BrO2","All.Compound.Names":"Ethyl bromophenylacetate|Dtxsid8041951","logHenry":-6.375,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.936,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.405,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.886,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.34,"MP.Reference":"EPA-CCD-OPERA","MW":243.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2882-19-1"}
{"Compound":"Carbidopa","CAS":"28860-95-9","CAS.Checksum":true,"DTXSID":"DTXSID4022735","Formula":"C10H14N2O4","All.Compound.Names":"Carbidopa|Dtxsid4022735|28860-95-9","logHenry":-8.817,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.272,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.712,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.471,"logWSol.Reference":"EPA-CCD-OPERA","MP":208,"MP.Reference":"EPA-CCD-OPERA","MW":226.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28860-95-9"}
{"Compound":"Dimethyl chloromalonate","CAS":"28868-76-0","CAS.Checksum":true,"DTXSID":"DTXSID6049018","Formula":"C5H7ClO4","All.Compound.Names":"Dimethyl chloromalonate|Dtxsid6049018","logHenry":-6.086,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.08734,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.803,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.302,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.591,"MP.Reference":"EPA-CCD-OPERA","MW":166.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28868-76-0"}
{"Compound":"6,7-dimethoxyquinazoline-2,4(1h,3h)-dione","CAS":"28888-44-0","CAS.Checksum":true,"DTXSID":"DTXSID9046100","Formula":"C10H10N2O4","All.Compound.Names":"6,7-dimethoxyquinazoline-2,4(1h,3h)-dione|Dtxsid9046100|28888-44-0","logHenry":-7.925,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.057,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.117,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.082,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.4,"MP.Reference":"EPA-CCD-OPERA","MW":222.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28888-44-0"}
{"Compound":"3-cyclobutene-1,2-dione,3,4-dihydroxy-","CAS":"2892-51-5","CAS.Checksum":true,"DTXSID":"DTXSID9049409","Formula":"C4H2O4","All.Compound.Names":"3-cyclobutene-1,2-dione,3,4-dihydroxy-|Squaric acid|Dtxsid9049409|2892-51-5","logHenry":-7.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3534,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.257,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4632,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.9,"MP.Reference":"EPA-CCD-OPERA","MW":114.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2892-51-5"}
{"Compound":"Sodium dichloroisocyanurate","CAS":"2893-78-9","CAS.Checksum":true,"DTXSID":"DTXSID3024994","Formula":"C3Cl2N3NaO3","All.Compound.Names":"Sodium dichloroisocyanurate|Dtxsid3024994|2893-78-9","logHenry":-8.4,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3556,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.581,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.227,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.4,"MP.Reference":"EPA-CCD-OPERA","MW":219.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2893-78-9"}
{"Compound":"7-methyl-2h-1,5-benzodioxepin-3(4h)-one","CAS":"28940-11-6","CAS.Checksum":true,"DTXSID":"DTXSID0047165","Formula":"C10H10O3","All.Compound.Names":"7-methyl-2h-1,5-benzodioxepin-3(4h)-one|Methyl benzodioxepinone|Dtxsid0047165","logHenry":-8.019,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.567,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.736,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.206,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.85,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28940-11-6"}
{"Compound":"(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxidanyl","CAS":"2896-70-0","CAS.Checksum":true,"DTXSID":"DTXSID4044905","Formula":"C9H16NO2","All.Compound.Names":"(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxidanyl|Dtxsid4044905|2,2,6,6-tetramethyl-4-piperidone 1-nitroxide","logHenry":-7.347,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1179,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.559,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.01146,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.4,"MP.Reference":"EPA-CCD-OPERA","MW":170.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2896-70-0"}
{"Compound":"Diethoxy(methyl)[3-(oxiran-2-ylmethoxy)propyl]silane","CAS":"2897-60-1","CAS.Checksum":true,"DTXSID":"DTXSID2044638","Formula":"C11H24O4Si","All.Compound.Names":"Diethoxy(methyl)[3-(oxiran-2-ylmethoxy)propyl]silane|3-(methyldiethoxysilyl)propyl glycidyl ether|Dtxsid2044638","logHenry":-5.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.297,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.84,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.017,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.09,"MP.Reference":"EPA-CCD-OPERA","MW":248.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2897-60-1"}
{"Compound":"Cp-607366","CAS":"289716-94-5","CAS.Checksum":true,"DTXSID":"DTXSID6047280","Formula":"C14H12Cl2FNO","All.Compound.Names":"Cp-607366|Dtxsid6047280|289716-94-5","logHenry":-6.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.818,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.737,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.078,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.6,"MP.Reference":"EPA-CCD-OPERA","MW":300.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"289716-94-5"}
{"Compound":"Sulazepam","CAS":"2898-13-7","CAS.Checksum":true,"DTXSID":"DTXSID1046267","Formula":"C16H13ClN2S","All.Compound.Names":"Sulazepam|Dtxsid1046267|2898-13-7","logHenry":-7.366,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.171,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.651,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.04,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.2,"MP.Reference":"EPA-CCD-OPERA","MW":300.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2898-13-7"}
{"Compound":"Arimoclomol","CAS":"289893-25-0","CAS.Checksum":true,"DTXSID":"DTXSID5057701","Formula":"C14H20ClN3O3","All.Compound.Names":"Arimoclomol|Dtxsid5057701|289893-25-0","logHenry":-8.285,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.933,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.685,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.394,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.5,"MP.Reference":"EPA-CCD-OPERA","MW":313.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"289893-25-0"}
{"Compound":"Pyrazine","CAS":"290-37-9","CAS.Checksum":true,"DTXSID":"DTXSID8049410","Formula":"C4H4N2","All.Compound.Names":"Pyrazine|Dtxsid8049410|290-37-9","logHenry":-5.428,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2588,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.586,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.076,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.8,"MP.Reference":"EPA-CCD-OPERA","MW":80.09,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"290-37-9"}
{"Compound":"Afalanine","CAS":"2901-75-9","CAS.Checksum":true,"DTXSID":"DTXSID3045697","Formula":"C11H13NO3","All.Compound.Names":"Afalanine|Dtxsid3045697|2901-75-9","logHenry":-9.218,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9313,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.232,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.681,"logWSol.Reference":"EPA-CCD-OPERA","MP":172,"MP.Reference":"EPA-CCD-OPERA","MW":207.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2901-75-9"}
{"Compound":"3,5-dichlorobenzoyl chloride","CAS":"2905-62-6","CAS.Checksum":true,"DTXSID":"DTXSID1027506","Formula":"C7H3Cl3O","All.Compound.Names":"3,5-dichlorobenzoyl chloride|Dtxsid1027506","logHenry":-5.822,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.525,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.793,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.52,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.78,"MP.Reference":"EPA-CCD-OPERA","MW":209.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2905-62-6"}
{"Compound":"Methyl 3-chlorobenzoate","CAS":"2905-65-9","CAS.Checksum":true,"DTXSID":"DTXSID6027507","Formula":"C8H7ClO2","All.Compound.Names":"Methyl 3-chlorobenzoate|Dtxsid6027507","logHenry":-7.094,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.848,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.206,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.463,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.98,"MP.Reference":"EPA-CCD-OPERA","MW":170.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2905-65-9"}
{"Compound":"Methyl 3,5-dichlorobenzoate","CAS":"2905-67-1","CAS.Checksum":true,"DTXSID":"DTXSID7042146","Formula":"C8H6Cl2O2","All.Compound.Names":"Methyl 3,5-dichlorobenzoate|Dtxsid7042146","logHenry":-6.844,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.492,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.256,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.068,"logWSol.Reference":"EPA-CCD-OPERA","MP":50.18,"MP.Reference":"EPA-CCD-OPERA","MW":205,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2905-67-1"}
{"Compound":"Dinitramine","CAS":"29091-05-2","CAS.Checksum":true,"DTXSID":"DTXSID9040265","Formula":"C11H13F3N4O4","All.Compound.Names":"Dinitramine|Dtxsid9040265|29091-05-2","logHenry":-7.828,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.299,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.304,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.472,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.08,"MP.Reference":"EPA-CCD-OPERA","MW":322.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29091-05-2"}
{"Compound":"2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)benzene","CAS":"29091-09-6","CAS.Checksum":true,"DTXSID":"DTXSID7044639","Formula":"C7HCl2F3N2O4","All.Compound.Names":"2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)benzene|Dtxsid7044639","logHenry":-3.599,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.271,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.475,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.634,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.85,"MP.Reference":"EPA-CCD-OPERA","MW":305,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29091-09-6"}
{"Compound":"Guanfacine hydrochloride","CAS":"29110-48-3","CAS.Checksum":true,"DTXSID":"DTXSID2045157","Formula":"C9H10Cl3N3O","All.Compound.Names":"Guanfacine hydrochloride|Dtxsid2045157|29110-48-3","logHenry":-9.209,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.675,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.2,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.5,"MP.Reference":"EPA-CCD-OPERA","MW":282.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29110-48-3"}
{"Compound":"Uk-373911","CAS":"291305-06-1","CAS.Checksum":true,"DTXSID":"DTXSID5047295","Formula":"C17H18Cl2N2O2S","All.Compound.Names":"Uk-373911|Dtxsid5047295|291305-06-1","logHenry":-9.971,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.32,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.066,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.673,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.7,"MP.Reference":"EPA-CCD-OPERA","MW":385.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"291305-06-1"}
{"Compound":"Dibutyl nonanedioate","CAS":"2917-73-9","CAS.Checksum":true,"DTXSID":"DTXSID5044815","Formula":"C17H32O4","All.Compound.Names":"Dibutyl nonanedioate|Dibutyl azelate|Dtxsid5044815","logHenry":-6.665,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.154,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.759,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.113,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.568,"MP.Reference":"EPA-CCD-OPERA","MW":300.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2917-73-9"}
{"Compound":"Prednisolone 21-hemisuccinate","CAS":"2920-86-7","CAS.Checksum":true,"DTXSID":"DTXSID1048964","Formula":"C25H32O8","All.Compound.Names":"Prednisolone 21-hemisuccinate|Dtxsid1048964|2920-86-7","logHenry":-11.22,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.175,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.764,"logWSol.Reference":"EPA-CCD-OPERA","MP":233.3,"MP.Reference":"EPA-CCD-OPERA","MW":460.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2920-86-7"}
{"Compound":"1-ethyl-2,3-dimethylimidazolium hexafluorophosphate","CAS":"292140-86-4","CAS.Checksum":true,"DTXSID":"DTXSID2049264","Formula":"C7H13F6N2P","All.Compound.Names":"1-ethyl-2,3-dimethylimidazolium hexafluorophosphate|Dtxsid2049264|292140-86-4","logHenry":-2.115,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7141,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.605,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3741,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.6,"MP.Reference":"EPA-CCD-OPERA","MW":270.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"292140-86-4"}
{"Compound":"Mequitazine","CAS":"29216-28-2","CAS.Checksum":true,"DTXSID":"DTXSID8023262","Formula":"C20H22N2S","All.Compound.Names":"Mequitazine|Dtxsid8023262|29216-28-2","logHenry":-5.347,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.527,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.874,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.161,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.6,"MP.Reference":"EPA-CCD-OPERA","MW":322.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29216-28-2"}
{"Compound":"Dextromoramide tartrate","CAS":"2922-44-3","CAS.Checksum":true,"DTXSID":"DTXSID1048918","Formula":"C29H38N2O8","All.Compound.Names":"Dextromoramide tartrate|Dtxsid1048918|2922-44-3","logHenry":-6.924,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7851,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.91,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.211,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.5,"MP.Reference":"EPA-CCD-OPERA","MW":542.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2922-44-3"}
{"Compound":"Gimatecan","CAS":"292618-32-7","CAS.Checksum":true,"DTXSID":"DTXSID0057702","Formula":"C25H25N3O5","All.Compound.Names":"Gimatecan|Dtxsid0057702|292618-32-7","logHenry":-9.428,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.384,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.831,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.469,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.8,"MP.Reference":"EPA-CCD-OPERA","MW":447.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"292618-32-7"}
{"Compound":"2,4-diisopropylphenol","CAS":"2934-05-6","CAS.Checksum":true,"DTXSID":"DTXSID7042273","Formula":"C12H18O","All.Compound.Names":"2,4-diisopropylphenol|Dtxsid7042273|2934-05-6","logHenry":-5.792,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.895,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.486,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.805,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.55,"MP.Reference":"EPA-CCD-OPERA","MW":178.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2934-05-6"}
{"Compound":"Methyl 3-sulfanylpropanoate","CAS":"2935-90-2","CAS.Checksum":true,"DTXSID":"DTXSID6027509","Formula":"C4H8O2S","All.Compound.Names":"Methyl 3-sulfanylpropanoate|Methyl 3-mercaptopropionate|Dtxsid6027509|2935-90-2","logHenry":-7.569,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.365,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.755,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8958,"logWSol.Reference":"EPA-CCD-OPERA","MP":-36.65,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2935-90-2"}
{"Compound":"Tolyltriazole","CAS":"29385-43-1","CAS.Checksum":true,"DTXSID":"DTXSID0026171","Formula":"C7H7N3","All.Compound.Names":"Tolyltriazole","MW":133.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29385-43-1"}
{"Compound":"Propylene glycol monobutyl ether","CAS":"29387-86-8","CAS.Checksum":true,"DTXSID":"DTXSID6029755","All.Compound.Names":"Propylene glycol monobutyl ether|1,2-propanediol monobutyl ether","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29387-86-8"}
{"Compound":"Cyclododecane","CAS":"294-62-2","CAS.Checksum":true,"DTXSID":"DTXSID9021552","Formula":"C12H24","All.Compound.Names":"Cyclododecane|Dtxsid9021552","logHenry":-1.191,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.178,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4372,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.199,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"294-62-2"}
{"Compound":"Ethiolate","CAS":"2941-55-1","CAS.Checksum":true,"DTXSID":"DTXSID6041925","Formula":"C7H15NOS","All.Compound.Names":"Ethiolate|Dtxsid6041925|2941-55-1","logHenry":-7.123,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.79,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.944,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.691,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.86,"MP.Reference":"EPA-CCD-OPERA","MW":161.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2941-55-1"}
{"Compound":"S-ethyl chlorothioformic acid","CAS":"2941-64-2","CAS.Checksum":true,"DTXSID":"DTXSID6025278","Formula":"C3H5ClOS","All.Compound.Names":"S-ethyl chlorothioformic acid|Dtxsid6025278","logHenry":-4.959,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.203,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.528,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5872,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.98,"MP.Reference":"EPA-CCD-OPERA","MW":124.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2941-64-2"}
{"Compound":"Triethoxyoctylsilane","CAS":"2943-75-1","CAS.Checksum":true,"DTXSID":"DTXSID2029246","Formula":"C14H32O3Si","All.Compound.Names":"Triethoxyoctylsilane|Triethoxy-n-octylsilane|Dtxsid2029246","logHenry":-4.969,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.71,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.709,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.482,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.826,"MP.Reference":"EPA-CCD-OPERA","MW":276.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"11.06","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0.026,0,0.05775","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"2943-75-1"}
{"Compound":"Mcpa-2-ethylhexyl","CAS":"29450-45-1","CAS.Checksum":true,"DTXSID":"DTXSID5034698","Formula":"C17H25ClO3","All.Compound.Names":"Mcpa-2-ethylhexyl|2-ethylhexyl (4-chloro-2-methylphenoxy)acetate|Dtxsid5034698","logHenry":-7.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.867,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.906,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.573,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.22,"MP.Reference":"EPA-CCD-OPERA","MW":312.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29450-45-1"}
{"Compound":"Lithium perfluorooctane sulfonate","CAS":"29457-72-5","CAS.Checksum":true,"DTXSID":"DTXSID2032421","Formula":"C8F17LiO3S","All.Compound.Names":"Lithium perfluorooctane sulfonate|Lithium perfluorooctanesulfonate|Dtxsid2032421|29457-72-5","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.266,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5183,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.088,"logWSol.Reference":"EPA-CCD-OPERA","MP":193,"MP.Reference":"EPA-CCD-OPERA","MW":506.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"29457-72-5"}
{"Compound":"Isolongifolanone","CAS":"29461-14-1","CAS.Checksum":true,"DTXSID":"DTXSID5047168","Formula":"C15H24O","All.Compound.Names":"Isolongifolanone|Rel-(2r,4ar,8ar)-hexahydro-1,1,5,5-tetramethyl-2h-2,4a-methanonaphthalen-8(5h)-one|Dtxsid5047168","logHenry":-4.91,"logHenry.Reference":"OPERA29","logP":4.9,"logP.Reference":"OPERA29","logWSol":-3.65,"logWSol.Reference":"OPERA29","MP":-10,"MP.Reference":"OPERA29","MW":220.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29461-14-1"}
{"Compound":"1,4-bis(2-hydroxy-2-propyl)benzene","CAS":"2948-46-1","CAS.Checksum":true,"DTXSID":"DTXSID7029247","Formula":"C12H18O2","All.Compound.Names":"1,4-bis(2-hydroxy-2-propyl)benzene|Dtxsid7029247|2948-46-1","logHenry":-6.308,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.796,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.136,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.163,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.9,"MP.Reference":"EPA-CCD-OPERA","MW":194.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2948-46-1"}
{"Compound":"(4r,5s)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine","CAS":"29493-77-4","CAS.Checksum":true,"DTXSID":"DTXSID2048870","Formula":"C10H12N2O","All.Compound.Names":"(4r,5s)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine|Dtxsid2048870|(+/-)-cis-4-methylaminorex|29493-77-4","logHenry":-8.4,"logHenry.Reference":"OPERA29","logP":0.23,"logP.Reference":"OPERA29","logWSol":-2.59,"logWSol.Reference":"OPERA29","MP":127,"MP.Reference":"OPERA29","MW":176.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29493-77-4"}
{"Compound":"Farnesyl acetate","CAS":"29548-30-9","CAS.Checksum":true,"DTXSID":"DTXSID2047222","Formula":"C17H28O2","All.Compound.Names":"Farnesyl acetate|Dtxsid2047222","logHenry":-5.446,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.016,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.192,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.598,"logWSol.Reference":"EPA-CCD-OPERA","MP":-27.69,"MP.Reference":"EPA-CCD-OPERA","MW":264.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29548-30-9"}
{"Compound":"Moricizine hydrochloride","CAS":"29560-58-5","CAS.Checksum":true,"DTXSID":"DTXSID1047786","Formula":"C22H26ClN3O4S","All.Compound.Names":"Moricizine hydrochloride|Dtxsid1047786|29560-58-5","logHenry":-10.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.158,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.084,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.416,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.3,"MP.Reference":"EPA-CCD-OPERA","MW":464,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29560-58-5"}
{"Compound":"Isooctyl acrylate","CAS":"29590-42-9","CAS.Checksum":true,"DTXSID":"DTXSID8027955","All.Compound.Names":"Isooctyl acrylate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29590-42-9"}
{"Compound":"Almitrine dimethanesulfonate","CAS":"29608-49-9","CAS.Checksum":true,"DTXSID":"DTXSID5057703","Formula":"C28H37F2N7O6S2","All.Compound.Names":"Almitrine dimethanesulfonate|Dtxsid5057703|29608-49-9","logHenry":-7.845,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7099,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.986,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.794,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.9,"MP.Reference":"EPA-CCD-OPERA","MW":669.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29608-49-9"}
{"Compound":"(1s,9r)-beta-hydrastine","CAS":"29617-43-4","CAS.Checksum":true,"DTXSID":"DTXSID1045611","Formula":"C21H21NO6","All.Compound.Names":"(1s,9r)-beta-hydrastine|Dtxsid1045611|29617-43-4","logHenry":-7.644,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.576,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.12,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.108,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.1,"MP.Reference":"EPA-CCD-OPERA","MW":383.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29617-43-4"}
{"Compound":"2-amino-4-thiazoleacetic acid","CAS":"29676-71-9","CAS.Checksum":true,"DTXSID":"DTXSID0024509","Formula":"C5H6N2O2S","All.Compound.Names":"2-amino-4-thiazoleacetic acid|Dtxsid0024509|29676-71-9","logHenry":-9.406,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5257,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.446,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.288,"logWSol.Reference":"EPA-CCD-OPERA","MP":221.9,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.41","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29676-71-9"}
{"Compound":"Ethynodiol diacetate","CAS":"297-76-7","CAS.Checksum":true,"DTXSID":"DTXSID4020614","Formula":"C24H32O4","All.Compound.Names":"Ethynodiol diacetate|Dtxsid4020614","logHenry":-7.328,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.042,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.419,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.041,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.5,"MP.Reference":"EPA-CCD-OPERA","MW":384.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"297-76-7"}
{"Compound":"Bekanamycin sulfate","CAS":"29701-07-3","CAS.Checksum":true,"DTXSID":"DTXSID8048739","Formula":"C18H39N5O14S","All.Compound.Names":"Bekanamycin sulfate|Dtxsid8048739|29701-07-3","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8076,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.798,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7486,"logWSol.Reference":"EPA-CCD-OPERA","MP":142,"MP.Reference":"EPA-CCD-OPERA","MW":581.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29701-07-3"}
{"Compound":"4-bromo-2,5-dimethoxyamphetamine hydrochloride","CAS":"29705-96-2","CAS.Checksum":true,"DTXSID":"DTXSID1048883","Formula":"C11H17BrClNO2","All.Compound.Names":"4-bromo-2,5-dimethoxyamphetamine hydrochloride|Dtxsid1048883|29705-96-2","logHenry":-8.833,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5374,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.179,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.155,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.2,"MP.Reference":"EPA-CCD-OPERA","MW":310.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29705-96-2"}
{"Compound":"Clopidol","CAS":"2971-90-6","CAS.Checksum":true,"DTXSID":"DTXSID8041793","Formula":"C7H7Cl2NO","All.Compound.Names":"Clopidol|Dtxsid8041793|2971-90-6","logHenry":-6.874,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.293,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.099,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.278,"logWSol.Reference":"EPA-CCD-OPERA","MP":319.2,"MP.Reference":"EPA-CCD-OPERA","MW":192,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2971-90-6"}
{"Compound":"Benzaldehyde,2-bromo-5-hydroxy-","CAS":"2973-80-0","CAS.Checksum":true,"DTXSID":"DTXSID7049265","Formula":"C7H5BrO2","All.Compound.Names":"Benzaldehyde,2-bromo-5-hydroxy-|2-bromo-5-hydroxy-benzaldehyde|Dtxsid7049265|2973-80-0","logHenry":-7.001,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.332,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.438,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.572,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.57,"MP.Reference":"EPA-CCD-OPERA","MW":201,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2973-80-0"}
{"Compound":"Carphenazine dimaleate","CAS":"2975-34-0","CAS.Checksum":true,"DTXSID":"DTXSID2047852","Formula":"C32H39N3O10S","All.Compound.Names":"Carphenazine dimaleate|Dtxsid2047852|2975-34-0","logHenry":-9.996,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6682,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.589,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.95,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.9,"MP.Reference":"EPA-CCD-OPERA","MW":657.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2975-34-0"}
{"Compound":"Isodecyl diphenyl phosphate","CAS":"29761-21-5","CAS.Checksum":true,"DTXSID":"DTXSID3025465","All.Compound.Names":"Isodecyl diphenyl phosphate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29761-21-5"}
{"Compound":"O,o-diethyl dithiophosphate","CAS":"298-06-6","CAS.Checksum":true,"DTXSID":"DTXSID6027133","Formula":"C4H11O2PS2","All.Compound.Names":"O,o-diethyl dithiophosphate|Diethyl dithiophosphoric acid|Dtxsid6027133|O,o'-diethyl hydrogen dithiophosphate|298-06-6","logHenry":-7.021,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.242,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.486,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.39,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.942,"MP.Reference":"EPA-CCD-OPERA","MW":186.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"298-06-6"}
{"Compound":"Bis(2-ethylhexyl) phosphate","CAS":"298-07-7","CAS.Checksum":true,"DTXSID":"DTXSID1027134","Formula":"C16H35O4P","All.Compound.Names":"Bis(2-ethylhexyl) phosphate|Dtxsid1027134|298-07-7","logHenry":-6.377,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.042,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.208,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.249,"logWSol.Reference":"EPA-CCD-OPERA","MP":-49.74,"MP.Reference":"EPA-CCD-OPERA","MW":322.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9.993","Human.Clint.Reference":"Paini 2020","Chemical.Class":"","_row":"298-07-7"}
{"Compound":"Cinnarizine","CAS":"298-57-7","CAS.Checksum":true,"DTXSID":"DTXSID3022821","Formula":"C26H28N2","All.Compound.Names":"Cinnarizine|Dtxsid3022821|298-57-7","logHenry":-5.654,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.77,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.93,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.696,"logWSol.Reference":"EPA-CCD-OPERA","MP":95,"MP.Reference":"EPA-CCD-OPERA","MW":368.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"298-57-7"}
{"Compound":"Methylphenidate hydrochloride","CAS":"298-59-9","CAS.Checksum":true,"DTXSID":"DTXSID8020886","Formula":"C14H20ClNO2","All.Compound.Names":"Methylphenidate hydrochloride|Dtxsid8020886|298-59-9","logHenry":-9.536,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5377,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.358,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.6,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.8,"MP.Reference":"EPA-CCD-OPERA","MW":269.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"298-59-9"}
{"Compound":"Nitroblue tetrazolium dichloride","CAS":"298-83-9","CAS.Checksum":true,"DTXSID":"DTXSID6046719","Formula":"C40H30Cl2N10O6","All.Compound.Names":"Nitroblue tetrazolium dichloride|Dtxsid6046719|298-83-9","logHenry":-7.327,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.265,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.408,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.598,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.9,"MP.Reference":"EPA-CCD-OPERA","MW":817.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"298-83-9"}
{"Compound":"Ssr180711","CAS":"298198-52-4","CAS.Checksum":true,"DTXSID":"DTXSID2047359","Formula":"C14H17BrN2O2","All.Compound.Names":"Ssr180711|4-bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate|Dtxsid2047359|298198-52-4","logHenry":-7.738,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.283,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.032,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.254,"logWSol.Reference":"EPA-CCD-OPERA","MP":107.5,"MP.Reference":"EPA-CCD-OPERA","MW":325.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"298198-52-4"}
{"Compound":"Octyl beta-d-glucopyranoside","CAS":"29836-26-8","CAS.Checksum":true,"DTXSID":"DTXSID6042234","Formula":"C14H28O6","All.Compound.Names":"Octyl beta-d-glucopyranoside|Dtxsid6042234|29836-26-8","logHenry":-8.803,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.457,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.927,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.143,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.7,"MP.Reference":"EPA-CCD-OPERA","MW":292.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29836-26-8"}
{"Compound":"Sn-glycerol 3-phosphate bis(cyclohexylammonium)","CAS":"29849-82-9","CAS.Checksum":true,"DTXSID":"DTXSID9046603","Formula":"C15H35N2O6P","All.Compound.Names":"Sn-glycerol 3-phosphate bis(cyclohexylammonium)|29849-82-9","logHenry":-5.38,"logHenry.Reference":"OPERA29","logP":1.48,"logP.Reference":"OPERA29","logWSol":0.99,"logWSol.Reference":"OPERA29","MP":-18,"MP.Reference":"OPERA29","MW":370.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29849-82-9"}
{"Compound":"Nicotredole","CAS":"29876-14-0","CAS.Checksum":true,"DTXSID":"DTXSID8045698","Formula":"C16H15N3O","All.Compound.Names":"Nicotredole|Dtxsid8045698|29876-14-0","logHenry":-9.907,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.178,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.201,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.731,"logWSol.Reference":"EPA-CCD-OPERA","MP":148,"MP.Reference":"EPA-CCD-OPERA","MW":265.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29876-14-0"}
{"Compound":"Potassium d-gluconate","CAS":"299-27-4","CAS.Checksum":true,"DTXSID":"DTXSID7029617","Formula":"C6H11KO7","All.Compound.Names":"Potassium d-gluconate|Dtxsid7029617|299-27-4","logHenry":-9.736,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.385,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.6,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3191,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.3,"MP.Reference":"EPA-CCD-OPERA","MW":234.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"299-27-4"}
{"Compound":"Treosulfan","CAS":"299-75-2","CAS.Checksum":true,"DTXSID":"DTXSID0026173","Formula":"C6H14O8S2","All.Compound.Names":"Treosulfan|299-75-2|Dtxsid0026173","logHenry":-10.32,"logHenry.Reference":"OPERA29","logP":0.41,"logP.Reference":"OPERA29","logWSol":-0.78,"logWSol.Reference":"OPERA29","MP":102,"MP.Reference":"OPERA29","MW":278.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.97,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"299-75-2"}
{"Compound":"Fenchlorphos","CAS":"299-84-3","CAS.Checksum":true,"DTXSID":"DTXSID2034885","Formula":"C8H8Cl3O3PS","All.Compound.Names":"Fenchlorphos|Dtxsid2034885","logHenry":-5.331,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.975,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.428,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.313,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.11,"MP.Reference":"EPA-CCD-OPERA","MW":321.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"299-84-3"}
{"Compound":"Crufomate","CAS":"299-86-5","CAS.Checksum":true,"DTXSID":"DTXSID1037515","Formula":"C12H19ClNO3P","All.Compound.Names":"Crufomate|Dtxsid1037515|299-86-5","logHenry":-7.337,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.419,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.897,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.162,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.04,"MP.Reference":"EPA-CCD-OPERA","MW":291.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"299-86-5"}
{"Compound":"Butyl dipropasol solvent","CAS":"29911-27-1","CAS.Checksum":true,"DTXSID":"DTXSID3033276","Formula":"C9H20O3","All.Compound.Names":"Butyl dipropasol solvent|Dtxsid3033276|29911-27-1","logHenry":-8.308,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.313,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.079,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.07103,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.882,"MP.Reference":"EPA-CCD-OPERA","MW":176.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29911-27-1"}
{"Compound":"1-(2-butoxy-1-methylethoxy)propan-2-ol","CAS":"29911-28-2","CAS.Checksum":true,"DTXSID":"DTXSID8027959","Formula":"C10H22O3","All.Compound.Names":"1-(2-butoxy-1-methylethoxy)propan-2-ol|1-[(1-butoxy-2-propanyl)oxy]-2-propanol|Dtxsid8027959|29911-28-2","logHenry":-8.273,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.77,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.942,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6246,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.86,"MP.Reference":"EPA-CCD-OPERA","MW":190.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29911-28-2"}
{"Compound":"2-amino-5,6-dimethylbenzothiazole","CAS":"29927-08-0","CAS.Checksum":true,"DTXSID":"DTXSID0024478","Formula":"C9H10N2S","All.Compound.Names":"2-amino-5,6-dimethylbenzothiazole|Dtxsid0024478|29927-08-0","logHenry":-6.575,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.174,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.853,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.061,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.8,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29927-08-0"}
{"Compound":"Trimethoxyphenylsilane","CAS":"2996-92-1","CAS.Checksum":true,"DTXSID":"DTXSID5040700","Formula":"C9H14O3Si","All.Compound.Names":"Trimethoxyphenylsilane|Trimethoxy phenylsilane|Dtxsid5040700","logHenry":-5.826,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.881,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.096,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.628,"logWSol.Reference":"EPA-CCD-OPERA","MP":36.95,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.7107,0.4287,0.9927","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"2996-92-1"}
{"Compound":"Isodecyl methacrylate","CAS":"29964-84-9","CAS.Checksum":true,"DTXSID":"DTXSID8025466","All.Compound.Names":"Isodecyl methacrylate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29964-84-9"}
{"Compound":"Ethiofencarb","CAS":"29973-13-5","CAS.Checksum":true,"DTXSID":"DTXSID3037545","Formula":"C11H15NO2S","All.Compound.Names":"Ethiofencarb|Dtxsid3037545|29973-13-5","logHenry":-8.51,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.042,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.557,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.087,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.06,"MP.Reference":"EPA-CCD-OPERA","MW":225.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29973-13-5"}
{"Compound":"Estazolam","CAS":"29975-16-4","CAS.Checksum":true,"DTXSID":"DTXSID5020572","Formula":"C16H11ClN4","All.Compound.Names":"Estazolam|29975-16-4|Dtxsid5020572","logHenry":-8.234,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.504,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.179,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.563,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.4,"MP.Reference":"EPA-CCD-OPERA","MW":294.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.93,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"29975-16-4"}
{"Compound":"Ethyl 4-oxo-1-piperidinecarboxylate","CAS":"29976-53-2","CAS.Checksum":true,"DTXSID":"DTXSID0057704","Formula":"C8H13NO3","All.Compound.Names":"Ethyl 4-oxo-1-piperidinecarboxylate|Dtxsid0057704|29976-53-2","logHenry":-4.554,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4676,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.808,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2605,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.65,"MP.Reference":"EPA-CCD-OPERA","MW":171.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29976-53-2"}
{"Compound":"Estramustine","CAS":"2998-57-4","CAS.Checksum":true,"DTXSID":"DTXSID8046458","Formula":"C23H31Cl2NO3","All.Compound.Names":"Estramustine|Dtxsid8046458|2998-57-4","logHenry":-8.36,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.643,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.631,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.243,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.6,"MP.Reference":"EPA-CCD-OPERA","MW":440.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2998-57-4"}
{"Compound":"Medazomide","CAS":"300-22-1","CAS.Checksum":true,"DTXSID":"DTXSID5057705","Formula":"C6H9N3O2","All.Compound.Names":"Medazomide|Dtxsid5057705|300-22-1","logHenry":-7.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.002,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.743,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.06335,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.1,"MP.Reference":"EPA-CCD-OPERA","MW":155.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"300-22-1"}
{"Compound":"3,5-diiodo-l-tyrosine","CAS":"300-39-0","CAS.Checksum":true,"DTXSID":"DTXSID0048680","Formula":"C9H9I2NO3","All.Compound.Names":"3,5-diiodo-l-tyrosine|Dtxsid0048680|300-39-0","logHenry":-8.678,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6955,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.51,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.853,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.1,"MP.Reference":"EPA-CCD-OPERA","MW":433,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"300-39-0"}
{"Compound":"Methamphetamine hydrochloride","CAS":"300-42-5","CAS.Checksum":true,"DTXSID":"DTXSID3048865","Formula":"C10H16ClN","All.Compound.Names":"Methamphetamine hydrochloride|Dl-methamphetamine hydrochloride|Dtxsid3048865|300-42-5","logHenry":-5.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.0311,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.161,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.495,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.6,"MP.Reference":"EPA-CCD-OPERA","MW":185.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"300-42-5"}
{"Compound":"Naled","CAS":"300-76-5","CAS.Checksum":true,"DTXSID":"DTXSID1024209","Formula":"C4H7Br2Cl2O4P","All.Compound.Names":"Naled|Dtxsid1024209","logHenry":-4.714,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.382,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.411,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.315,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.94,"MP.Reference":"EPA-CCD-OPERA","MW":380.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"300-76-5"}
{"Compound":"5-bromo-5-nitro-1,3-dioxane","CAS":"30007-47-7","CAS.Checksum":true,"DTXSID":"DTXSID1044560","Formula":"C4H6BrNO4","All.Compound.Names":"5-bromo-5-nitro-1,3-dioxane|Dtxsid1044560|30007-47-7","logHenry":-5.951,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.01494,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.418,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9733,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.48,"MP.Reference":"EPA-CCD-OPERA","MW":212,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30007-47-7"}
{"Compound":"Chloromethyl styrene","CAS":"30030-25-2","CAS.Checksum":true,"DTXSID":"DTXSID0022307","All.Compound.Names":"Chloromethyl styrene","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30030-25-2"}
{"Compound":"Cefamandole sodium","CAS":"30034-03-8","CAS.Checksum":true,"DTXSID":"DTXSID2045579","Formula":"C18H17N6NaO5S2","All.Compound.Names":"Cefamandole sodium|Dtxsid2045579|30034-03-8","logHenry":-10.85,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3422,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.786,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.864,"logWSol.Reference":"EPA-CCD-OPERA","MP":185,"MP.Reference":"EPA-CCD-OPERA","MW":484.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.95","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30034-03-8"}
{"Compound":"N,n'-1,3-phenylenedimaleimide","CAS":"3006-93-7","CAS.Checksum":true,"DTXSID":"DTXSID3044415","Formula":"C14H8N2O4","All.Compound.Names":"N,n'-1,3-phenylenedimaleimide|Dtxsid3044415|3006-93-7","logHenry":-8.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.211,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.49,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.914,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.58,"MP.Reference":"EPA-CCD-OPERA","MW":268.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3006-93-7"}
{"Compound":"3-methylcyclohexane-1,2-dione","CAS":"3008-43-3","CAS.Checksum":true,"DTXSID":"DTXSID9047675","Formula":"C7H10O2","All.Compound.Names":"3-methylcyclohexane-1,2-dione|Dtxsid9047675","logHenry":-5.847,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6324,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.673,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2942,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.12,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3008-43-3"}
{"Compound":"Methyl linolenate","CAS":"301-00-8","CAS.Checksum":true,"DTXSID":"DTXSID5041560","Formula":"C19H32O2","All.Compound.Names":"Methyl linolenate|Dtxsid5041560","logHenry":-6.515,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.292,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.352,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.593,"logWSol.Reference":"EPA-CCD-OPERA","MP":-27.38,"MP.Reference":"EPA-CCD-OPERA","MW":292.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"301-00-8"}
{"Compound":"(9z)-octadec-9-enamide","CAS":"301-02-0","CAS.Checksum":true,"DTXSID":"DTXSID6027137","Formula":"C18H35NO","All.Compound.Names":"(9z)-octadec-9-enamide|Dtxsid6027137|301-02-0","logHenry":-7.858,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.212,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.896,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.631,"logWSol.Reference":"EPA-CCD-OPERA","MP":99.91,"MP.Reference":"EPA-CCD-OPERA","MW":281.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"301-02-0"}
{"Compound":"2,2,4,4-tetramethylcyclobutane-1,3-diol","CAS":"3010-96-6","CAS.Checksum":true,"DTXSID":"DTXSID9044908","Formula":"C8H16O2","All.Compound.Names":"2,2,4,4-tetramethylcyclobutane-1,3-diol|Dtxsid9044908|3010-96-6","logHenry":-6.843,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.633,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.954,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6065,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.4,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3010-96-6"}
{"Compound":"Bumecaine","CAS":"30103-44-7","CAS.Checksum":true,"DTXSID":"DTXSID4046109","Formula":"C18H28N2O","All.Compound.Names":"Bumecaine|Dtxsid4046109|30103-44-7","logHenry":-9.555,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.424,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.346,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.057,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.14,"MP.Reference":"EPA-CCD-OPERA","MW":288.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30103-44-7"}
{"Compound":"2-chloro-4-nitrobenzamide","CAS":"3011-89-0","CAS.Checksum":true,"DTXSID":"DTXSID3041405","Formula":"C7H5ClN2O3","All.Compound.Names":"2-chloro-4-nitrobenzamide|Dtxsid3041405|3011-89-0","logHenry":-8.737,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3443,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.945,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.757,"logWSol.Reference":"EPA-CCD-OPERA","MP":172,"MP.Reference":"EPA-CCD-OPERA","MW":200.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3011-89-0"}
{"Compound":"Benzyl thiocyanate","CAS":"3012-37-1","CAS.Checksum":true,"DTXSID":"DTXSID5020156","Formula":"C8H7NS","All.Compound.Names":"Benzyl thiocyanate|Dtxsid5020156","logHenry":-7,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.991,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.655,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.017,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.21,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3012-37-1"}
{"Compound":"Ammonium citrate (2:1)","CAS":"3012-65-5","CAS.Checksum":true,"DTXSID":"DTXSID5020079","Formula":"C6H14N2O7","All.Compound.Names":"Ammonium citrate (2:1)|Diammonium citrate|Dtxsid5020079|3012-65-5","logHenry":-9.811,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.722,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.634,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6905,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.7,"MP.Reference":"EPA-CCD-OPERA","MW":226.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3012-65-5"}
{"Compound":"Tianeptine sodium","CAS":"30123-17-2","CAS.Checksum":true,"DTXSID":"DTXSID4046737","Formula":"C21H24ClN2NaO4S","All.Compound.Names":"Tianeptine sodium|Dtxsid4046737|30123-17-2","logHenry":-9.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.201,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.348,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.392,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.4,"MP.Reference":"EPA-CCD-OPERA","MW":458.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30123-17-2"}
{"Compound":"Disperse red 82","CAS":"30124-94-8","CAS.Checksum":true,"DTXSID":"DTXSID6044642","Formula":"C21H21N5O6","All.Compound.Names":"Disperse red 82|Dtxsid6044642|30124-94-8","logHenry":-7.921,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.423,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.273,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.988,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.6,"MP.Reference":"EPA-CCD-OPERA","MW":439.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30124-94-8"}
{"Compound":"Dichloroacetonitrile","CAS":"3018-12-0","CAS.Checksum":true,"DTXSID":"DTXSID3021562","Formula":"C2HCl2N","All.Compound.Names":"Dichloroacetonitrile|Dtxsid3021562","logHenry":-5.018,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.302,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.508,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.121,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.48,"MP.Reference":"EPA-CCD-OPERA","MW":109.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3018-12-0"}
{"Compound":"Xibenolol","CAS":"30187-90-7","CAS.Checksum":true,"DTXSID":"DTXSID0043848","Formula":"C15H25NO2","All.Compound.Names":"Xibenolol|Dtxsid0043848|30187-90-7","logHenry":-5.474,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.995,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.197,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.706,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.3,"MP.Reference":"EPA-CCD-OPERA","MW":251.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30187-90-7"}
{"Compound":"Methylhydrazine sulfate","CAS":"302-15-8","CAS.Checksum":true,"DTXSID":"DTXSID9020875","Formula":"CH8N2O4S","All.Compound.Names":"Methylhydrazine sulfate|302-15-8","logHenry":-5.53,"logHenry.Reference":"OPERA29","logP":-1.05,"logP.Reference":"OPERA29","logWSol":1.34,"logWSol.Reference":"OPERA29","MP":-52,"MP.Reference":"OPERA29","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"302-15-8"}
{"Compound":"Chloral hydrate","CAS":"302-17-0","CAS.Checksum":true,"DTXSID":"DTXSID7020261","Formula":"C2H3Cl3O2","All.Compound.Names":"Chloral hydrate|Dtxsid7020261|302-17-0","logHenry":-7.218,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9894,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.373,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.192,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.09,"MP.Reference":"EPA-CCD-OPERA","MW":165.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"302-17-0"}
{"Compound":"Chlormadinone acetate","CAS":"302-22-7","CAS.Checksum":true,"DTXSID":"DTXSID6020274","Formula":"C23H29ClO4","All.Compound.Names":"Chlormadinone acetate|Dtxsid6020274","logHenry":-6.572,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.136,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.583,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.21,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.8,"MP.Reference":"EPA-CCD-OPERA","MW":404.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"302-22-7"}
{"Compound":"Aconitine","CAS":"302-27-2","CAS.Checksum":true,"DTXSID":"DTXSID4046319","Formula":"C34H47NO11","All.Compound.Names":"Aconitine","logHenry":-9.75,"logHenry.Reference":"OPERA29","logP":1.68,"logP.Reference":"OPERA29","logWSol":-3.39,"logWSol.Reference":"OPERA29","MP":216,"MP.Reference":"OPERA29","MW":645.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"302-27-2"}
{"Compound":"Benactyzine","CAS":"302-40-9","CAS.Checksum":true,"DTXSID":"DTXSID0022644","Formula":"C20H25NO3","All.Compound.Names":"Benactyzine|Dtxsid0022644|302-40-9","logHenry":-8.296,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.669,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.828,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.254,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.14,"MP.Reference":"EPA-CCD-OPERA","MW":327.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"302-40-9"}
{"Compound":"Sodium deoxycholate","CAS":"302-95-4","CAS.Checksum":true,"DTXSID":"DTXSID5033389","Formula":"C24H39NaO4","All.Compound.Names":"Sodium deoxycholate|Dtxsid5033389|302-95-4","logHenry":-9.443,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.37,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.954,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.952,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.6,"MP.Reference":"EPA-CCD-OPERA","MW":414.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"302-95-4"}
{"Compound":"Etienic acid","CAS":"302-97-6","CAS.Checksum":true,"DTXSID":"DTXSID0057706","Formula":"C20H28O3","All.Compound.Names":"Etienic acid|Dtxsid0057706|302-97-6","logHenry":-7.054,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.037,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.901,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.881,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.8,"MP.Reference":"EPA-CCD-OPERA","MW":316.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"302-97-6"}
{"Compound":"Fluacizine","CAS":"30223-48-4","CAS.Checksum":true,"DTXSID":"DTXSID2046175","Formula":"C20H21F3N2OS","All.Compound.Names":"Fluacizine|Dtxsid2046175|30223-48-4","logHenry":-7.994,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.977,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.924,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.408,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.3,"MP.Reference":"EPA-CCD-OPERA","MW":394.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30223-48-4"}
{"Compound":"Ethyl (2e,4z)-deca-2,4-dienoate","CAS":"3025-30-7","CAS.Checksum":true,"DTXSID":"DTXSID0041357","Formula":"C12H20O2","All.Compound.Names":"Ethyl (2e,4z)-deca-2,4-dienoate|Dtxsid0041357","logHenry":-3.791,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.166,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.633,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.04,"logWSol.Reference":"EPA-CCD-OPERA","MP":-53.17,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3025-30-7"}
{"Compound":"Dimethoxy(methyl)phenylsilane","CAS":"3027-21-2","CAS.Checksum":true,"DTXSID":"DTXSID4044909","Formula":"C9H14O2Si","All.Compound.Names":"Dimethoxy(methyl)phenylsilane|Dtxsid4044909","logHenry":-2.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.397,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.034,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.6,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.43,"MP.Reference":"EPA-CCD-OPERA","MW":182.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3027-21-2"}
{"Compound":"Dasatinib","CAS":"302962-49-8","CAS.Checksum":true,"DTXSID":"DTXSID4040979","Formula":"C22H26ClN7O2S","All.Compound.Names":"Dasatinib|302962-49-8|Dtxsid4040979","logHenry":-10.07,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.979,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.546,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.969,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.2,"MP.Reference":"EPA-CCD-OPERA","MW":488,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.15,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"302962-49-8"}
{"Compound":"Clinofibrate","CAS":"30299-08-2","CAS.Checksum":true,"DTXSID":"DTXSID6046638","Formula":"C28H36O6","All.Compound.Names":"Clinofibrate|Dtxsid6046638|30299-08-2","logHenry":-7.609,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.241,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.376,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.736,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.8,"MP.Reference":"EPA-CCD-OPERA","MW":468.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30299-08-2"}
{"Compound":"Cyclizine hydrochloride","CAS":"303-25-3","CAS.Checksum":true,"DTXSID":"DTXSID2047773","Formula":"C18H24Cl2N2","All.Compound.Names":"Cyclizine hydrochloride|Dtxsid2047773|303-25-3","logHenry":-5.093,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6419,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.06,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.423,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.7,"MP.Reference":"EPA-CCD-OPERA","MW":339.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"303-25-3"}
{"Compound":"Methenolone enanthate","CAS":"303-42-4","CAS.Checksum":true,"DTXSID":"DTXSID7046754","Formula":"C27H42O3","All.Compound.Names":"Methenolone enanthate|Dtxsid7046754","logHenry":-7.055,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.141,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.556,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.829,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.2,"MP.Reference":"EPA-CCD-OPERA","MW":414.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"303-42-4"}
{"Compound":"Ubidecarenone","CAS":"303-98-0","CAS.Checksum":true,"DTXSID":"DTXSID6046054","Formula":"C59H90O4","All.Compound.Names":"Ubidecarenone|Dtxsid6046054","logHenry":-7.039,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.436,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.236,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.691,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.36,"MP.Reference":"EPA-CCD-OPERA","MW":863.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"303-98-0"}
{"Compound":"1,1,4,7,7-pentamethyldiethylenetriamine","CAS":"3030-47-5","CAS.Checksum":true,"DTXSID":"DTXSID7029249","Formula":"C9H23N3","All.Compound.Names":"1,1,4,7,7-pentamethyldiethylenetriamine|Dtxsid7029249|3030-47-5","logHenry":-5.399,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1866,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.423,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.07078,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.28,"MP.Reference":"EPA-CCD-OPERA","MW":173.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3030-47-5"}
{"Compound":"Clofenoxyde","CAS":"3030-53-3","CAS.Checksum":true,"DTXSID":"DTXSID0046143","Formula":"C16H12Cl2O3","All.Compound.Names":"Clofenoxyde|Dtxsid0046143","logHenry":-7.628,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.072,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.574,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.382,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.4,"MP.Reference":"EPA-CCD-OPERA","MW":323.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3030-53-3"}
{"Compound":"Hex-3-yne-2,5-diol","CAS":"3031-66-1","CAS.Checksum":true,"DTXSID":"DTXSID3044910","Formula":"C6H10O2","All.Compound.Names":"Hex-3-yne-2,5-diol|Dtxsid3044910|3031-66-1","logHenry":-6.998,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1704,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.745,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.027,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.6,"MP.Reference":"EPA-CCD-OPERA","MW":114.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3031-66-1"}
{"Compound":"3-bromo-2-methylthiophene","CAS":"30319-05-2","CAS.Checksum":true,"DTXSID":"DTXSID5057707","Formula":"C5H5BrS","All.Compound.Names":"3-bromo-2-methylthiophene|Dtxsid5057707","logHenry":-3.229,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.788,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.638,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.532,"logWSol.Reference":"EPA-CCD-OPERA","MP":-26.17,"MP.Reference":"EPA-CCD-OPERA","MW":177.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30319-05-2"}
{"Compound":"Bis[2-(dimethylamino)ethyl]ether","CAS":"3033-62-3","CAS.Checksum":true,"DTXSID":"DTXSID5027512","Formula":"C8H20N2O","All.Compound.Names":"Bis[2-(dimethylamino)ethyl]ether|Dtxsid5027512|3033-62-3","logHenry":-4.732,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2482,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.174,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.03026,"logWSol.Reference":"EPA-CCD-OPERA","MP":-13.41,"MP.Reference":"EPA-CCD-OPERA","MW":160.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3033-62-3"}
{"Compound":"Isooctyl 3-mercaptopropionate","CAS":"30374-01-7","CAS.Checksum":true,"DTXSID":"DTXSID8044911","All.Compound.Names":"Isooctyl 3-mercaptopropionate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30374-01-7"}
{"Compound":"3beta-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride","CAS":"3039-71-2","CAS.Checksum":true,"DTXSID":"DTXSID3046904","Formula":"C25H42ClNO2","All.Compound.Names":"3beta-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride|Dtxsid3046904|3039-71-2","logHenry":-6.661,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3948,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.35,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.073,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.4,"MP.Reference":"EPA-CCD-OPERA","MW":424.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3039-71-2"}
{"Compound":"Sodium ethenesulfonate","CAS":"3039-83-6","CAS.Checksum":true,"DTXSID":"DTXSID0027513","Formula":"C2H3NaO3S","All.Compound.Names":"Sodium ethenesulfonate|Dtxsid0027513|3039-83-6","logHenry":-7.892,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.387,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.586,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6356,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.714,"MP.Reference":"EPA-CCD-OPERA","MW":130.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3039-83-6"}
{"Compound":"2-amino-n-(1-methylethyl)benzamide","CAS":"30391-89-0","CAS.Checksum":true,"DTXSID":"DTXSID7041627","Formula":"C10H14N2O","All.Compound.Names":"2-amino-n-(1-methylethyl)benzamide|Dtxsid7041627|30391-89-0","logHenry":-8.838,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8099,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.326,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6502,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.2,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30391-89-0"}
{"Compound":"Bitolterol","CAS":"30392-40-6","CAS.Checksum":true,"DTXSID":"DTXSID1022683","Formula":"C28H31NO5","All.Compound.Names":"Bitolterol|Dtxsid1022683|30392-40-6","logHenry":-10.23,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.715,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.899,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.328,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.4,"MP.Reference":"EPA-CCD-OPERA","MW":461.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30392-40-6"}
{"Compound":"Isooctadecanoic acid","CAS":"30399-84-9","CAS.Checksum":true,"DTXSID":"DTXSID2027963","All.Compound.Names":"Isooctadecanoic acid","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30399-84-9"}
{"Compound":"N-isopropylphthalimide","CAS":"304-17-6","CAS.Checksum":true,"DTXSID":"DTXSID6044644","Formula":"C11H11NO2","All.Compound.Names":"N-isopropylphthalimide|Dtxsid6044644|304-17-6","logHenry":-5.974,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.117,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.655,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.725,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.94,"MP.Reference":"EPA-CCD-OPERA","MW":189.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"304-17-6"}
{"Compound":"Hydralazine hydrochloride","CAS":"304-20-1","CAS.Checksum":true,"DTXSID":"DTXSID1044645","Formula":"C8H9ClN4","All.Compound.Names":"Hydralazine hydrochloride|Dtxsid1044645|304-20-1","logHenry":-7.361,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.981,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.922,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.945,"logWSol.Reference":"EPA-CCD-OPERA","MP":172,"MP.Reference":"EPA-CCD-OPERA","MW":196.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"304-20-1"}
{"Compound":"2,7-acetylaminofluorene","CAS":"304-28-9","CAS.Checksum":true,"DTXSID":"DTXSID9021479","Formula":"C17H16N2O2","All.Compound.Names":"2,7-acetylaminofluorene|Dtxsid9021479|304-28-9","logHenry":-9.946,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.202,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.273,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.227,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.9,"MP.Reference":"EPA-CCD-OPERA","MW":280.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"304-28-9"}
{"Compound":"Ethamivan","CAS":"304-84-7","CAS.Checksum":true,"DTXSID":"DTXSID3023007","Formula":"C12H17NO3","All.Compound.Names":"Ethamivan|Dtxsid3023007|304-84-7","logHenry":-9.525,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.895,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.74,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.548,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.94,"MP.Reference":"EPA-CCD-OPERA","MW":223.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"304-84-7"}
{"Compound":"1-hexyl-3-methylimidazolium hexafluorophosphate","CAS":"304680-35-1","CAS.Checksum":true,"DTXSID":"DTXSID6047949","Formula":"C10H19F6N2P","All.Compound.Names":"1-hexyl-3-methylimidazolium hexafluorophosphate|Dtxsid6047949|304680-35-1","logHenry":-2.979,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7099,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.098,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.974,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.5,"MP.Reference":"EPA-CCD-OPERA","MW":312.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"304680-35-1"}
{"Compound":"1-methyl-3-octylimidazolium hexafluorophosphate","CAS":"304680-36-2","CAS.Checksum":true,"DTXSID":"DTXSID5047952","Formula":"C12H23F6N2P","All.Compound.Names":"1-methyl-3-octylimidazolium hexafluorophosphate|Dtxsid5047952|304680-36-2","logHenry":-2.993,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7083,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.553,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.679,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.5,"MP.Reference":"EPA-CCD-OPERA","MW":340.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"304680-36-2"}
{"Compound":"3a,4,7,7a-tetrahydroindene","CAS":"3048-65-5","CAS.Checksum":true,"DTXSID":"DTXSID0027515","Formula":"C9H12","All.Compound.Names":"3a,4,7,7a-tetrahydroindene|Dtxsid0027515","logHenry":-2.103,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.79,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7712,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.909,"logWSol.Reference":"EPA-CCD-OPERA","MP":-23.64,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3048-65-5"}
{"Compound":"2,6-diiodo-4-nitrophenol","CAS":"305-85-1","CAS.Checksum":true,"DTXSID":"DTXSID4046573","Formula":"C6H3I2NO3","All.Compound.Names":"2,6-diiodo-4-nitrophenol|Dtxsid4046573|305-85-1","logHenry":-8.016,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.598,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.621,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.932,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.9,"MP.Reference":"EPA-CCD-OPERA","MW":390.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"305-85-1"}
{"Compound":"2-butenedioic acid (2z)-, monomethyl ester","CAS":"3052-50-4","CAS.Checksum":true,"DTXSID":"DTXSID1029251","Formula":"C5H6O4","All.Compound.Names":"2-butenedioic acid (2z)-, monomethyl ester|Monomethyl maleate|Dtxsid1029251|3052-50-4","logHenry":-7.767,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4962,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.395,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.04921,"logWSol.Reference":"EPA-CCD-OPERA","MP":53,"MP.Reference":"EPA-CCD-OPERA","MW":130.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3052-50-4"}
{"Compound":"Acrolein diethylacetal","CAS":"3054-95-3","CAS.Checksum":true,"DTXSID":"DTXSID0020024","Formula":"C7H14O2","All.Compound.Names":"Acrolein diethylacetal|Dtxsid0020024","logHenry":-4.003,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7523,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.735,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.327,"logWSol.Reference":"EPA-CCD-OPERA","MP":-79.35,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3054-95-3"}
{"Compound":"Etofenamate","CAS":"30544-47-9","CAS.Checksum":true,"DTXSID":"DTXSID2045448","Formula":"C18H18F3NO4","All.Compound.Names":"Etofenamate|Dtxsid2045448|30544-47-9","logHenry":-8.973,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.372,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.997,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.362,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.3,"MP.Reference":"EPA-CCD-OPERA","MW":369.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30544-47-9"}
{"Compound":"Polyoxyethylen-9-lauryl ether","CAS":"3055-99-0","CAS.Checksum":true,"DTXSID":"DTXSID5039721","Formula":"C30H62O10","All.Compound.Names":"Polyoxyethylen-9-lauryl ether|Polyoxyethylene (9) lauryl ether|Dtxsid5039721|3055-99-0","logHenry":-7.895,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.564,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.612,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.485,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.13,"MP.Reference":"EPA-CCD-OPERA","MW":582.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3055-99-0"}
{"Compound":"5,5-dimethyl-2-phenoxy-1,3,2-dioxaphosphinane","CAS":"3057-08-7","CAS.Checksum":true,"DTXSID":"DTXSID6044646","Formula":"C11H15O3P","All.Compound.Names":"5,5-dimethyl-2-phenoxy-1,3,2-dioxaphosphinane|Dtxsid6044646","logHenry":-6.141,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.844,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.569,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.945,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.36,"MP.Reference":"EPA-CCD-OPERA","MW":226.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3057-08-7"}
{"Compound":"Pargyline hydrochloride","CAS":"306-07-0","CAS.Checksum":true,"DTXSID":"DTXSID1044647","Formula":"C11H14ClN","All.Compound.Names":"Pargyline hydrochloride|Dtxsid1044647|306-07-0","logHenry":-3.403,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.567,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.548,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.792,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.4,"MP.Reference":"EPA-CCD-OPERA","MW":195.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"306-07-0"}
{"Compound":"Fenaclon","CAS":"306-20-7","CAS.Checksum":true,"DTXSID":"DTXSID0057708","Formula":"C11H14ClNO","All.Compound.Names":"Fenaclon|Dtxsid0057708|306-20-7","logHenry":-9.646,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.299,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.721,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.913,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.96,"MP.Reference":"EPA-CCD-OPERA","MW":211.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"306-20-7"}
{"Compound":"Hydroxyamphetamine hydrobromide","CAS":"306-21-8","CAS.Checksum":true,"DTXSID":"DTXSID0045961","Formula":"C9H14BrNO","All.Compound.Names":"Hydroxyamphetamine hydrobromide|Dtxsid0045961|306-21-8","logHenry":-7.266,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.109,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.95,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.03,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.6,"MP.Reference":"EPA-CCD-OPERA","MW":232.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"306-21-8"}
{"Compound":"1,2-dimethylhydrazine dihydrochloride","CAS":"306-37-6","CAS.Checksum":true,"DTXSID":"DTXSID6020517","Formula":"C2H10Cl2N2","All.Compound.Names":"1,2-dimethylhydrazine dihydrochloride|Dtxsid6020517|306-37-6","logHenry":-6.918,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.318,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.873,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.22,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.02,"MP.Reference":"EPA-CCD-OPERA","MW":133,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"306-37-6"}
{"Compound":"Tetracosafluorotetradecahydrophenanthrene","CAS":"306-91-2","CAS.Checksum":true,"DTXSID":"DTXSID1047029","Formula":"C14F24","All.Compound.Names":"Tetracosafluorotetradecahydrophenanthrene|Perfluorotetradecahydrophenanthrene|Dtxsid1047029","logHenry":-5.233,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.535,"logP.Reference":"EPA-CCD-OPERA","logPwa":-4.607,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.82,"logWSol.Reference":"EPA-CCD-OPERA","MP":-19.98,"MP.Reference":"EPA-CCD-OPERA","MW":624.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"306-91-2"}
{"Compound":"Perflunafene","CAS":"306-94-5","CAS.Checksum":true,"DTXSID":"DTXSID0046511","Formula":"C10F18","All.Compound.Names":"Perflunafene|Dtxsid0046511","logHenry":-1.813,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.353,"logP.Reference":"EPA-CCD-OPERA","logPwa":-5.089,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.971,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.07,"MP.Reference":"EPA-CCD-OPERA","MW":462.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"306-94-5"}
{"Compound":"Metobromuron","CAS":"3060-89-7","CAS.Checksum":true,"DTXSID":"DTXSID6042157","Formula":"C9H11BrN2O2","All.Compound.Names":"Metobromuron|Dtxsid6042157|3060-89-7","logHenry":-8.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.378,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.407,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.89,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.99,"MP.Reference":"EPA-CCD-OPERA","MW":259.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3060-89-7"}
{"Compound":"Bis(trichloromethyl)sulfone","CAS":"3064-70-8","CAS.Checksum":true,"DTXSID":"DTXSID3032331","Formula":"C2Cl6O2S","All.Compound.Names":"Bis(trichloromethyl)sulfone|Dtxsid3032331","logHenry":-3.634,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.301,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.472,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.145,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.9,"MP.Reference":"EPA-CCD-OPERA","MW":300.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3064-70-8"}
{"Compound":"Deferiprone","CAS":"30652-11-0","CAS.Checksum":true,"DTXSID":"DTXSID6040666","Formula":"C7H9NO2","All.Compound.Names":"Deferiprone|Dtxsid6040666|30652-11-0","logHenry":-6.187,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7669,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.202,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8824,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.12,"MP.Reference":"EPA-CCD-OPERA","MW":139.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30652-11-0"}
{"Compound":"1,2,4-butanetriol","CAS":"3068-00-6","CAS.Checksum":true,"DTXSID":"DTXSID8044416","Formula":"C4H10O3","All.Compound.Names":"1,2,4-butanetriol|Dtxsid8044416|3068-00-6","logHenry":-7.862,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.104,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.871,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5911,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.1,"MP.Reference":"EPA-CCD-OPERA","MW":106.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3068-00-6"}
{"Compound":"N-[3-(trimethoxysilyl)propyl]aniline","CAS":"3068-76-6","CAS.Checksum":true,"DTXSID":"DTXSID6044648","Formula":"C12H21NO3Si","All.Compound.Names":"N-[3-(trimethoxysilyl)propyl]aniline|Dtxsid6044648|3068-76-6","logHenry":-6.695,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.414,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.666,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.098,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.6,"MP.Reference":"EPA-CCD-OPERA","MW":255.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3068-76-6"}
{"Compound":"Beta-butyrolactone","CAS":"3068-88-0","CAS.Checksum":true,"DTXSID":"DTXSID1020223","Formula":"C4H6O2","All.Compound.Names":"Beta-butyrolactone|Dtxsid1020223","logHenry":-7.538,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2772,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.931,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.526,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.79,"MP.Reference":"EPA-CCD-OPERA","MW":86.09,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3068-88-0"}
{"Compound":"Methyldigoxin","CAS":"30685-43-9","CAS.Checksum":true,"DTXSID":"DTXSID0023294","Formula":"C42H66O14","All.Compound.Names":"Methyldigoxin|Dtxsid0023294|30685-43-9","logHenry":-10.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.801,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.752,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.34,"logWSol.Reference":"EPA-CCD-OPERA","MP":223.2,"MP.Reference":"EPA-CCD-OPERA","MW":795,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30685-43-9"}
{"Compound":"Tizoprolic acid","CAS":"30709-69-4","CAS.Checksum":true,"DTXSID":"DTXSID5057709","Formula":"C7H9NO2S","All.Compound.Names":"Tizoprolic acid|Dtxsid5057709|30709-69-4","logHenry":-7.52,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.336,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.398,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.383,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.4,"MP.Reference":"EPA-CCD-OPERA","MW":171.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30709-69-4"}
{"Compound":"Feprazone","CAS":"30748-29-9","CAS.Checksum":true,"DTXSID":"DTXSID3023051","Formula":"C20H20N2O2","All.Compound.Names":"Feprazone|Dtxsid3023051|30748-29-9","logHenry":-8.021,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.653,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.037,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.483,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.2,"MP.Reference":"EPA-CCD-OPERA","MW":320.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30748-29-9"}
{"Compound":"1-ethyl-2,3-dimethylimidazolium tetrafluoroborate","CAS":"307492-75-7","CAS.Checksum":true,"DTXSID":"DTXSID2049266","Formula":"C7H13BF4N2","All.Compound.Names":"1-ethyl-2,3-dimethylimidazolium tetrafluoroborate|Dtxsid2049266|307492-75-7","logHenry":-2.115,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6664,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.653,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3741,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.4,"MP.Reference":"EPA-CCD-OPERA","MW":212,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"307492-75-7"}
{"Compound":"Troxipide","CAS":"30751-05-4","CAS.Checksum":true,"DTXSID":"DTXSID2023725","Formula":"C15H22N2O4","All.Compound.Names":"Troxipide|Dtxsid2023725|30751-05-4","logHenry":-9.19,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9071,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.312,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.485,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.4,"MP.Reference":"EPA-CCD-OPERA","MW":294.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30751-05-4"}
{"Compound":"2,2'-[(4-methylphenyl)imino]diethanol","CAS":"3077-12-1","CAS.Checksum":true,"DTXSID":"DTXSID0044650","Formula":"C11H17NO2","All.Compound.Names":"2,2'-[(4-methylphenyl)imino]diethanol|Dtxsid0044650|3077-12-1","logHenry":-9.081,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.091,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.034,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.315,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.21,"MP.Reference":"EPA-CCD-OPERA","MW":195.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3077-12-1"}
{"Compound":"Dimethylammonium nitrate","CAS":"30781-73-8","CAS.Checksum":true,"DTXSID":"DTXSID0047903","Formula":"C2H8N2O3","All.Compound.Names":"Dimethylammonium nitrate|30781-73-8","logHenry":-4.75,"logHenry.Reference":"OPERA29","logP":-0.38,"logP.Reference":"OPERA29","logWSol":1.56,"logWSol.Reference":"OPERA29","MP":-92,"MP.Reference":"OPERA29","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30781-73-8"}
{"Compound":"Aluminum tributoxide","CAS":"3085-30-1","CAS.Checksum":true,"DTXSID":"DTXSID5027518","Formula":"C12H27AlO3","All.Compound.Names":"Aluminum tributoxide|Aluminum n-butoxide","MW":246.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3085-30-1"}
{"Compound":"Acid green 50","CAS":"3087-16-9","CAS.Checksum":true,"DTXSID":"DTXSID4046577","Formula":"C27H25N2NaO7S2","All.Compound.Names":"Acid green 50|Dtxsid4046577|3087-16-9","logHenry":-10.21,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.605,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.899,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.719,"logWSol.Reference":"EPA-CCD-OPERA","MP":233,"MP.Reference":"EPA-CCD-OPERA","MW":576.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3087-16-9"}
{"Compound":"N,n,n',n',n'',n''-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine","CAS":"3089-11-0","CAS.Checksum":true,"DTXSID":"DTXSID9027520","Formula":"C15H30N6O6","All.Compound.Names":"N,n,n',n',n'',n''-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine|Hexa(methoxymethyl)melamine|Dtxsid9027520|3089-11-0","logHenry":-6.914,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.524,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.165,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.025,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.3,"MP.Reference":"EPA-CCD-OPERA","MW":390.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3089-11-0"}
{"Compound":"Halcinonide","CAS":"3093-35-4","CAS.Checksum":true,"DTXSID":"DTXSID6045375","Formula":"C24H32ClFO5","All.Compound.Names":"Halcinonide|Dtxsid6045375|3093-35-4","logHenry":-10.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.419,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.902,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.76,"logWSol.Reference":"EPA-CCD-OPERA","MP":227.3,"MP.Reference":"EPA-CCD-OPERA","MW":455,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3093-35-4"}
{"Compound":"1,5-dicaffeoylquinic acid","CAS":"30964-13-7","CAS.Checksum":true,"DTXSID":"DTXSID0050423","Formula":"C25H24O12","All.Compound.Names":"1,5-dicaffeoylquinic acid|Dtxsid0050423|30964-13-7","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.98,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.579,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.728,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.7,"MP.Reference":"EPA-CCD-OPERA","MW":516.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30964-13-7"}
{"Compound":"Tert-butyl phenyl glycidyl ether","CAS":"3101-60-8","CAS.Checksum":true,"DTXSID":"DTXSID1024702","Formula":"C13H18O2","All.Compound.Names":"Tert-butyl phenyl glycidyl ether|Dtxsid1024702","logHenry":-4.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.163,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.6,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.336,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.13,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3101-60-8"}
{"Compound":"Lofexidine","CAS":"31036-80-3","CAS.Checksum":true,"DTXSID":"DTXSID7023221","Formula":"C11H12Cl2N2O","All.Compound.Names":"Lofexidine|31036-80-3|Dtxsid7023221","logHenry":-9.226,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.476,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.275,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.5,"logWSol.Reference":"EPA-CCD-OPERA","MP":127,"MP.Reference":"EPA-CCD-OPERA","MW":259.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"31036-80-3"}
{"Compound":"Hycanthone","CAS":"3105-97-3","CAS.Checksum":true,"DTXSID":"DTXSID9023128","Formula":"C20H24N2O2S","All.Compound.Names":"Hycanthone|Dtxsid9023128|3105-97-3","logHenry":-11.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.379,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.112,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.17,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.1,"MP.Reference":"EPA-CCD-OPERA","MW":356.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3105-97-3"}
{"Compound":"Metrizamide","CAS":"31112-62-6","CAS.Checksum":true,"DTXSID":"DTXSID1023310","Formula":"C18H22I3N3O8","All.Compound.Names":"Metrizamide|Dtxsid1023310|31112-62-6","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.891,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.44,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1998,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.8,"MP.Reference":"EPA-CCD-OPERA","MW":789.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31112-62-6"}
{"Compound":"3-anilinopropan-1-ol","CAS":"31121-11-6","CAS.Checksum":true,"DTXSID":"DTXSID3046875","Formula":"C9H13NO","All.Compound.Names":"3-anilinopropan-1-ol|Dtxsid3046875|31121-11-6","logHenry":-6.738,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.574,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.265,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.75,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.29,"MP.Reference":"EPA-CCD-OPERA","MW":151.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31121-11-6"}
{"Compound":"2,3,4,4'-tetrahydroxybenzophenone","CAS":"31127-54-5","CAS.Checksum":true,"DTXSID":"DTXSID5047956","Formula":"C13H10O5","All.Compound.Names":"2,3,4,4'-tetrahydroxybenzophenone|Dtxsid5047956|31127-54-5","logHenry":-9.491,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.354,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.032,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.803,"logWSol.Reference":"EPA-CCD-OPERA","MP":244,"MP.Reference":"EPA-CCD-OPERA","MW":246.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31127-54-5"}
{"Compound":"Iodoxamic acid","CAS":"31127-82-9","CAS.Checksum":true,"DTXSID":"DTXSID4057710","Formula":"C26H26I6N2O10","All.Compound.Names":"Iodoxamic acid|Dtxsid4057710|31127-82-9","logHenry":-8,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.164,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.427,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.039,"logWSol.Reference":"EPA-CCD-OPERA","MP":233.3,"MP.Reference":"EPA-CCD-OPERA","MW":1288,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31127-82-9"}
{"Compound":"3-methyl-4-nitrobenzoic acid","CAS":"3113-71-1","CAS.Checksum":true,"DTXSID":"DTXSID1025641","Formula":"C8H7NO4","All.Compound.Names":"3-methyl-4-nitrobenzoic acid|Dtxsid1025641|3113-71-1","logHenry":-8.641,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.416,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.315,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.105,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.1,"MP.Reference":"EPA-CCD-OPERA","MW":181.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3113-71-1"}
{"Compound":"D-gluco-heptonic acid, monosodium salt","CAS":"31138-65-5","CAS.Checksum":true,"DTXSID":"DTXSID7027966","Formula":"C7H13NaO8","All.Compound.Names":"D-gluco-heptonic acid, monosodium salt|Monosodium d-glucoheptonate|Dtxsid7027966|31138-65-5","logHenry":-9.679,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.407,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.88,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3371,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.6,"MP.Reference":"EPA-CCD-OPERA","MW":248.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.29","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31138-65-5"}
{"Compound":"Iobenzamic acid","CAS":"3115-05-7","CAS.Checksum":true,"DTXSID":"DTXSID9057711","Formula":"C16H13I3N2O3","All.Compound.Names":"Iobenzamic acid|N-(3-amino-2,4,6-triiodobenzoyl)-n-phenyl-beta-alanine|Dtxsid9057711|3115-05-7","logHenry":-10.4,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.28,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.38,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.055,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.1,"MP.Reference":"EPA-CCD-OPERA","MW":662,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3115-05-7"}
{"Compound":"Tetrabutylphosphonium bromide","CAS":"3115-68-2","CAS.Checksum":true,"DTXSID":"DTXSID6047945","Formula":"C16H36BrP","All.Compound.Names":"Tetrabutylphosphonium bromide","logHenry":-1.584,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9237,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.918,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.387,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.2,"MP.Reference":"EPA-CCD-OPERA","MW":339.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3115-68-2"}
{"Compound":"4'-piperidinylcarbonylmethoxyacetophenone","CAS":"31188-99-5","CAS.Checksum":true,"DTXSID":"DTXSID7048829","Formula":"C15H19NO3","All.Compound.Names":"4'-piperidinylcarbonylmethoxyacetophenone|Dtxsid7048829|31188-99-5","logHenry":-7.472,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.322,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.198,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.235,"logWSol.Reference":"EPA-CCD-OPERA","MP":99.67,"MP.Reference":"EPA-CCD-OPERA","MW":261.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31188-99-5"}
{"Compound":"D-serine","CAS":"312-84-5","CAS.Checksum":true,"DTXSID":"DTXSID9041021","Formula":"C3H7NO3","All.Compound.Names":"D-serine|Dtxsid9041021|312-84-5","logHenry":-8.296,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.068,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.482,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1895,"logWSol.Reference":"EPA-CCD-OPERA","MP":229.2,"MP.Reference":"EPA-CCD-OPERA","MW":105.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.88","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"312-84-5"}
{"Compound":"3-methyl-4-(methylthio)phenol","CAS":"3120-74-9","CAS.Checksum":true,"DTXSID":"DTXSID0051996","Formula":"C8H10OS","All.Compound.Names":"3-methyl-4-(methylthio)phenol|Dtxsid0051996|3120-74-9","logHenry":-6.315,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.457,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.272,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.494,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.22,"MP.Reference":"EPA-CCD-OPERA","MW":154.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3120-74-9"}
{"Compound":"Pifoxime","CAS":"31224-92-7","CAS.Checksum":true,"DTXSID":"DTXSID2048828","Formula":"C15H20N2O3","All.Compound.Names":"Pifoxime|Dtxsid2048828|31224-92-7","logHenry":-9.234,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.946,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.596,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.12,"logWSol.Reference":"EPA-CCD-OPERA","MP":141,"MP.Reference":"EPA-CCD-OPERA","MW":276.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31224-92-7"}
{"Compound":"2,7-naphthalenedisulfonic acid, 4-amino-5-hydroxy-, monosodium salt hydrate","CAS":"312693-54-2","CAS.Checksum":true,"DTXSID":"DTXSID5046980","Formula":"C10H10NNaO8S2","All.Compound.Names":"2,7-naphthalenedisulfonic acid, 4-amino-5-hydroxy-, monosodium salt hydrate|Monosodium 8-amino-1-naphthol-3,6-disulfonate monohydrate|Dtxsid5046980|312693-54-2","logHenry":-9.265,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5848,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.982,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.197,"logWSol.Reference":"EPA-CCD-OPERA","MP":224.4,"MP.Reference":"EPA-CCD-OPERA","MW":359.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"312693-54-2"}
{"Compound":"Hygromycin b","CAS":"31282-04-9","CAS.Checksum":true,"DTXSID":"DTXSID7041045","Formula":"C20H37N3O13","All.Compound.Names":"Hygromycin b|Dtxsid7041045|31282-04-9","logHenry":-9.86,"logHenry.Reference":"OPERA29","logP":-3.68,"logP.Reference":"OPERA29","logWSol":-0.74,"logWSol.Reference":"OPERA29","MP":172,"MP.Reference":"OPERA29","MW":527.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31282-04-9"}
{"Compound":"Estradiol cypionate","CAS":"313-06-4","CAS.Checksum":true,"DTXSID":"DTXSID4022999","Formula":"C26H36O3","All.Compound.Names":"Estradiol cypionate|Dtxsid4022999|313-06-4","logHenry":-8.034,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.001,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.319,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.07,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.9,"MP.Reference":"EPA-CCD-OPERA","MW":396.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"313-06-4"}
{"Compound":"6-azacytidine","CAS":"3131-60-0","CAS.Checksum":true,"DTXSID":"DTXSID4020117","Formula":"C8H12N4O5","All.Compound.Names":"6-azacytidine|Dtxsid4020117|3131-60-0","logHenry":-9.876,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.831,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.24,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7354,"logWSol.Reference":"EPA-CCD-OPERA","MP":237.3,"MP.Reference":"EPA-CCD-OPERA","MW":244.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3131-60-0"}
{"Compound":"Epibromohydrin","CAS":"3132-64-7","CAS.Checksum":true,"DTXSID":"DTXSID5025237","Formula":"C3H5BrO","All.Compound.Names":"Epibromohydrin|Dtxsid5025237","logHenry":-5.179,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8502,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.477,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3282,"logWSol.Reference":"EPA-CCD-OPERA","MP":-40.15,"MP.Reference":"EPA-CCD-OPERA","MW":137,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3132-64-7"}
{"Compound":"3-bromobenzaldehyde","CAS":"3132-99-8","CAS.Checksum":true,"DTXSID":"DTXSID4027521","Formula":"C7H5BrO","All.Compound.Names":"3-bromobenzaldehyde|Dtxsid4027521","logHenry":-4.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.377,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.677,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.209,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.94,"MP.Reference":"EPA-CCD-OPERA","MW":185,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3132-99-8"}
{"Compound":"1-(5-isopropyl-2-methyl-cyclohex-2-enyl)-propan-1-one","CAS":"31375-17-4","CAS.Checksum":true,"DTXSID":"DTXSID8047422","Formula":"C13H22O","All.Compound.Names":"1-(5-isopropyl-2-methyl-cyclohex-2-enyl)-propan-1-one|Dtxsid8047422","logHenry":-4.306,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.132,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.002,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.588,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.11,"MP.Reference":"EPA-CCD-OPERA","MW":194.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31375-17-4"}
{"Compound":"Amindocate","CAS":"31386-24-0","CAS.Checksum":true,"DTXSID":"DTXSID2046385","Formula":"C19H29N3O2","All.Compound.Names":"Amindocate|Dtxsid2046385|31386-24-0","logHenry":-6.707,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.093,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.735,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.948,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.78,"MP.Reference":"EPA-CCD-OPERA","MW":331.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31386-24-0"}
{"Compound":"Indocate","CAS":"31386-25-1","CAS.Checksum":true,"DTXSID":"DTXSID6046137","Formula":"C22H26N2O2","All.Compound.Names":"Indocate|Dtxsid6046137|31386-25-1","logHenry":-7.205,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.969,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.798,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.082,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.8,"MP.Reference":"EPA-CCD-OPERA","MW":350.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31386-25-1"}
{"Compound":"Mk-578","CAS":"313994-79-5","CAS.Checksum":true,"DTXSID":"DTXSID0047327","Formula":"C35H47FN4O2","All.Compound.Names":"Mk-578|Dtxsid0047327|313994-79-5","logHenry":-7.468,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.497,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.678,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.866,"logWSol.Reference":"EPA-CCD-OPERA","MP":139,"MP.Reference":"EPA-CCD-OPERA","MW":574.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.67","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"313994-79-5"}
{"Compound":"C.i. direct blue 53","CAS":"314-13-6","CAS.Checksum":true,"DTXSID":"DTXSID9022815","Formula":"C34H24N6Na4O14S4","All.Compound.Names":"C.i. direct blue 53|Dtxsid9022815|314-13-6","logHenry":-11.77,"logHenry.Reference":"OPERA29","logP":-2.16,"logP.Reference":"OPERA29","logWSol":-2.53,"logWSol.Reference":"OPERA29","MP":299,"MP.Reference":"OPERA29","MW":960.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"314-13-6"}
{"Compound":"Nocodazole","CAS":"31430-18-9","CAS.Checksum":true,"DTXSID":"DTXSID9031800","Formula":"C14H11N3O3S","All.Compound.Names":"Nocodazole|Dtxsid9031800|31430-18-9","logHenry":-9.084,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.603,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.87,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.149,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.6,"MP.Reference":"EPA-CCD-OPERA","MW":301.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31430-18-9"}
{"Compound":"Cyclobendazole","CAS":"31431-43-3","CAS.Checksum":true,"DTXSID":"DTXSID9057713","Formula":"C13H13N3O3","All.Compound.Names":"Cyclobendazole|Dtxsid9057713|31431-43-3","logHenry":-8.016,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.648,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.697,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.399,"logWSol.Reference":"EPA-CCD-OPERA","MP":250.5,"MP.Reference":"EPA-CCD-OPERA","MW":259.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31431-43-3"}
{"Compound":"Ormeloxifene","CAS":"31477-60-8","CAS.Checksum":true,"DTXSID":"DTXSID6046844","Formula":"C30H35NO3","All.Compound.Names":"Ormeloxifene|Dtxsid6046844|31477-60-8","logHenry":-6.637,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.389,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.291,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.889,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.3,"MP.Reference":"EPA-CCD-OPERA","MW":457.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31477-60-8"}
{"Compound":"Diacetyl hydrazine","CAS":"3148-73-0","CAS.Checksum":true,"DTXSID":"DTXSID7020390","Formula":"C4H8N2O2","All.Compound.Names":"Diacetyl hydrazine|N,n'-diacetylhydrazine|Dtxsid7020390|3148-73-0","logHenry":-8.085,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.149,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.548,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3289,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.4,"MP.Reference":"EPA-CCD-OPERA","MW":116.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3148-73-0"}
{"Compound":"C.i. disperse orange 25","CAS":"31482-56-1","CAS.Checksum":true,"DTXSID":"DTXSID5051999","Formula":"C17H17N5O2","All.Compound.Names":"C.i. disperse orange 25|Dtxsid5051999|31482-56-1","logHenry":-5.775,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.262,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.679,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.055,"logWSol.Reference":"EPA-CCD-OPERA","MP":178,"MP.Reference":"EPA-CCD-OPERA","MW":323.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31482-56-1"}
{"Compound":"Mexacarbate","CAS":"315-18-4","CAS.Checksum":true,"DTXSID":"DTXSID7020893","Formula":"C12H18N2O2","All.Compound.Names":"Mexacarbate|Dtxsid7020893|315-18-4","logHenry":-8.391,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.559,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.889,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.346,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.07,"MP.Reference":"EPA-CCD-OPERA","MW":222.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"315-18-4"}
{"Compound":"Monocrotaline","CAS":"315-22-0","CAS.Checksum":true,"DTXSID":"DTXSID9020902","Formula":"C16H23NO6","All.Compound.Names":"Monocrotaline|Dtxsid9020902|315-22-0","logHenry":-9.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.01672,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.328,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.326,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.9,"MP.Reference":"EPA-CCD-OPERA","MW":325.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"315-22-0"}
{"Compound":"Dibenzepin hydrochloride","CAS":"315-80-0","CAS.Checksum":true,"DTXSID":"DTXSID5048421","Formula":"C18H22ClN3O","All.Compound.Names":"Dibenzepin hydrochloride|Dtxsid5048421|315-80-0","logHenry":-8.1,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5417,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.38,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.677,"logWSol.Reference":"EPA-CCD-OPERA","MP":173,"MP.Reference":"EPA-CCD-OPERA","MW":331.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"315-80-0"}
{"Compound":"(3z)-hex-3-en-1-yl hexanoate","CAS":"31501-11-8","CAS.Checksum":true,"DTXSID":"DTXSID7047560","Formula":"C12H22O2","All.Compound.Names":"(3z)-hex-3-en-1-yl hexanoate|Dtxsid7047560","logHenry":-3.788,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.232,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.715,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.111,"logWSol.Reference":"EPA-CCD-OPERA","MP":-50.16,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31501-11-8"}
{"Compound":"1,4-dihydroxy-2-naphthoic acid","CAS":"31519-22-9","CAS.Checksum":true,"DTXSID":"DTXSID0037730","Formula":"C11H8O4","All.Compound.Names":"1,4-dihydroxy-2-naphthoic acid|Dtxsid0037730|31519-22-9","logHenry":-8.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.162,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.165,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.716,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.7,"MP.Reference":"EPA-CCD-OPERA","MW":204.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31519-22-9"}
{"Compound":"2-chlorodibenz(b,f)-1,4-oxazepin-11(10h)-one","CAS":"3158-91-6","CAS.Checksum":true,"DTXSID":"DTXSID4057714","Formula":"C13H8ClNO2","All.Compound.Names":"2-chlorodibenz(b,f)-1,4-oxazepin-11(10h)-one|Dtxsid4057714|3158-91-6","logHenry":-9.777,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.064,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.658,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.349,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.5,"MP.Reference":"EPA-CCD-OPERA","MW":245.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3158-91-6"}
{"Compound":"Emetine dihydrochloride","CAS":"316-42-7","CAS.Checksum":true,"DTXSID":"DTXSID7020558","Formula":"C29H42Cl2N2O4","All.Compound.Names":"Emetine dihydrochloride|Dtxsid7020558|316-42-7","logHenry":-10.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.156,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.064,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.082,"logWSol.Reference":"EPA-CCD-OPERA","MP":117.8,"MP.Reference":"EPA-CCD-OPERA","MW":553.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"316-42-7"}
{"Compound":"Piperonal acetone","CAS":"3160-37-0","CAS.Checksum":true,"DTXSID":"DTXSID7025926","Formula":"C11H10O3","All.Compound.Names":"Piperonal acetone|Dtxsid7025926","logHenry":-8.385,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.82,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.084,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.305,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.89,"MP.Reference":"EPA-CCD-OPERA","MW":190.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3160-37-0"}
{"Compound":"Moroxidine hydrochloride","CAS":"3160-91-6","CAS.Checksum":true,"DTXSID":"DTXSID1045376","Formula":"C6H14ClN5O","All.Compound.Names":"Moroxidine hydrochloride|Dtxsid1045376|3160-91-6","logHenry":-8.686,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3765,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.553,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.291,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.6,"MP.Reference":"EPA-CCD-OPERA","MW":207.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3160-91-6"}
{"Compound":"Potassium 2-ethylhexanoate","CAS":"3164-85-0","CAS.Checksum":true,"DTXSID":"DTXSID4027525","Formula":"C8H15KO2","All.Compound.Names":"Potassium 2-ethylhexanoate|Dtxsid4027525|3164-85-0","logHenry":-6.08,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.124,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.126,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.858,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.5,"MP.Reference":"EPA-CCD-OPERA","MW":182.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3164-85-0"}
{"Compound":"4-chloro-2-methylaniline hydrochloride","CAS":"3165-93-3","CAS.Checksum":true,"DTXSID":"DTXSID0020288","Formula":"C7H9Cl2N","All.Compound.Names":"4-chloro-2-methylaniline hydrochloride|Dtxsid0020288|3165-93-3","logHenry":-6.649,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.027,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.505,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.471,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.7,"MP.Reference":"EPA-CCD-OPERA","MW":178.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3165-93-3"}
{"Compound":"Benzactyzine methylbromide","CAS":"3166-62-9","CAS.Checksum":true,"DTXSID":"DTXSID2046832","Formula":"C21H28BrNO3","All.Compound.Names":"Benzactyzine methylbromide|Benzactyzine methobromide|Dtxsid2046832|3166-62-9","logHenry":-8.058,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.563,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.91,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.614,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.6,"MP.Reference":"EPA-CCD-OPERA","MW":422.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3166-62-9"}
{"Compound":"Bupropion hydrochloride","CAS":"31677-93-7","CAS.Checksum":true,"DTXSID":"DTXSID6044561","Formula":"C13H19Cl2NO","All.Compound.Names":"Bupropion hydrochloride","logHenry":-8.519,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2262,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.855,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.1,"MP.Reference":"EPA-CCD-OPERA","MW":276.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31677-93-7"}
{"Compound":"Cyclocytidine","CAS":"31698-14-3","CAS.Checksum":true,"DTXSID":"DTXSID6020357","Formula":"C9H11N3O4","All.Compound.Names":"Cyclocytidine|Dtxsid6020357|31698-14-3","logHenry":-9.665,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.368,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.49,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9249,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.7,"MP.Reference":"EPA-CCD-OPERA","MW":225.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31698-14-3"}
{"Compound":"Hexafluorenium dibromide","CAS":"317-52-2","CAS.Checksum":true,"DTXSID":"DTXSID6048753","Formula":"C36H42Br2N2","All.Compound.Names":"Hexafluorenium dibromide|Dtxsid6048753|317-52-2","logHenry":-6.215,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.932,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.745,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.468,"logWSol.Reference":"EPA-CCD-OPERA","MP":235.6,"MP.Reference":"EPA-CCD-OPERA","MW":662.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"317-52-2"}
{"Compound":"Isocyanatocyclohexane","CAS":"3173-53-3","CAS.Checksum":true,"DTXSID":"DTXSID8025464","Formula":"C7H11NO","All.Compound.Names":"Isocyanatocyclohexane|Dtxsid8025464|3173-53-3","logHenry":-4.296,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.297,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.097,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.222,"logWSol.Reference":"EPA-CCD-OPERA","MP":-79.46,"MP.Reference":"EPA-CCD-OPERA","MW":125.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.11","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3173-53-3"}
{"Compound":"Decyl methacrylate","CAS":"3179-47-3","CAS.Checksum":true,"DTXSID":"DTXSID6024915","Formula":"C14H26O2","All.Compound.Names":"Decyl methacrylate|Dtxsid6024915","logHenry":-4.27,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.377,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.879,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.112,"logWSol.Reference":"EPA-CCD-OPERA","MP":-31.68,"MP.Reference":"EPA-CCD-OPERA","MW":226.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3179-47-3"}
{"Compound":"N-[3-(dimethylamino)propyl]dodecanamide","CAS":"3179-80-4","CAS.Checksum":true,"DTXSID":"DTXSID8044913","Formula":"C17H36N2O","All.Compound.Names":"N-[3-(dimethylamino)propyl]dodecanamide|Dtxsid8044913|3179-80-4","logHenry":-7.856,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.464,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.452,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.045,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.14,"MP.Reference":"EPA-CCD-OPERA","MW":284.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3179-80-4"}
{"Compound":"Propranolol hydrochloride","CAS":"318-98-9","CAS.Checksum":true,"DTXSID":"DTXSID3021198","Formula":"C16H22ClNO2","All.Compound.Names":"Propranolol hydrochloride|Dtxsid3021198|318-98-9","logHenry":-8.843,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1656,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.234,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.724,"logWSol.Reference":"EPA-CCD-OPERA","MP":164,"MP.Reference":"EPA-CCD-OPERA","MW":295.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"318-98-9"}
{"Compound":"Mexazolam","CAS":"31868-18-5","CAS.Checksum":true,"DTXSID":"DTXSID9057715","Formula":"C18H16Cl2N2O2","All.Compound.Names":"Mexazolam|Dtxsid9057715|31868-18-5","logHenry":-8.268,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.358,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.01,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.07,"logWSol.Reference":"EPA-CCD-OPERA","MP":172,"MP.Reference":"EPA-CCD-OPERA","MW":363.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31868-18-5"}
{"Compound":"2-methyldihydrofuran-3(2h)-one","CAS":"3188-00-9","CAS.Checksum":true,"DTXSID":"DTXSID9047677","Formula":"C5H8O2","All.Compound.Names":"2-methyldihydrofuran-3(2h)-one|2-methyltetrahydrofuran-3-one|Dtxsid9047677","logHenry":-6.848,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2762,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.378,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5541,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.273,"MP.Reference":"EPA-CCD-OPERA","MW":100.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3188-00-9"}
{"Compound":"Thiocyclam oxalate","CAS":"31895-22-4","CAS.Checksum":true,"DTXSID":"DTXSID0047036","Formula":"C7H13NO4S3","All.Compound.Names":"Thiocyclam oxalate|Dtxsid0047036|31895-22-4","logHenry":-4.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5639,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.529,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7774,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.8,"MP.Reference":"EPA-CCD-OPERA","MW":271.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31895-22-4"}
{"Compound":"D-isoleucine","CAS":"319-78-8","CAS.Checksum":true,"DTXSID":"DTXSID1046346","Formula":"C6H13NO2","All.Compound.Names":"D-isoleucine|Dtxsid1046346|319-78-8","logHenry":-6.272,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.719,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5837,"logWSol.Reference":"EPA-CCD-OPERA","MP":288.9,"MP.Reference":"EPA-CCD-OPERA","MW":131.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.73","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"319-78-8"}
{"Compound":"Alpha-1,2,3,4,5,6-hexachlorocyclohexane","CAS":"319-84-6","CAS.Checksum":true,"DTXSID":"DTXSID2020684","Formula":"C6H6Cl6","All.Compound.Names":"Alpha-1,2,3,4,5,6-hexachlorocyclohexane|Dtxsid2020684","logHenry":-5.493,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.719,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.373,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.815,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.73,"MP.Reference":"EPA-CCD-OPERA","MW":290.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"319-84-6"}
{"Compound":"Delta-hexachlorocyclohexane","CAS":"319-86-8","CAS.Checksum":true,"DTXSID":"DTXSID5024134","Formula":"C6H6Cl6","All.Compound.Names":"Delta-hexachlorocyclohexane|Dtxsid5024134","logHenry":-5.493,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.719,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.373,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.815,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.73,"MP.Reference":"EPA-CCD-OPERA","MW":290.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"319-86-8"}
{"Compound":"Tetroquinone","CAS":"319-89-1","CAS.Checksum":true,"DTXSID":"DTXSID9045897","Formula":"C6H4O6","All.Compound.Names":"Tetroquinone|Dtxsid9045897|319-89-1","logHenry":-9.082,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.155,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.943,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6091,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.2,"MP.Reference":"EPA-CCD-OPERA","MW":172.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"319-89-1"}
{"Compound":"4-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde","CAS":"31906-04-4","CAS.Checksum":true,"DTXSID":"DTXSID1027970","Formula":"C13H22O2","All.Compound.Names":"4-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde|Dtxsid1027970|31906-04-4","logHenry":-7.122,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.105,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.194,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.539,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.49,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31906-04-4"}
{"Compound":"1,2,5,6,9,10-hexabromocyclododecane","CAS":"3194-55-6","CAS.Checksum":true,"DTXSID":"DTXSID4027527","Formula":"C12H18Br6","All.Compound.Names":"1,2,5,6,9,10-hexabromocyclododecane|Dtxsid4027527","logHenry":-2.513,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.917,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.764,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.87,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.1,"MP.Reference":"EPA-CCD-OPERA","MW":641.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3194-55-6"}
{"Compound":"(2z)-3,7-dimethylocta-2,6-dienenitrile","CAS":"31983-27-4","CAS.Checksum":true,"DTXSID":"DTXSID0044816","Formula":"C10H15N","All.Compound.Names":"(2z)-3,7-dimethylocta-2,6-dienenitrile|Dtxsid0044816","logHenry":-4.816,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.045,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.025,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.491,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.5,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31983-27-4"}
{"Compound":"2,4-dichlorobenzotrifluoride","CAS":"320-60-5","CAS.Checksum":true,"DTXSID":"DTXSID0047959","Formula":"C7H3Cl2F3","All.Compound.Names":"2,4-dichlorobenzotrifluoride|2,4-dichloro-1-(trifluoromethyl)benzene|Dtxsid0047959","logHenry":-2.335,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.949,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6121,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.586,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.9,"MP.Reference":"EPA-CCD-OPERA","MW":215,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"320-60-5"}
{"Compound":"3,5-dichlorosalicylic acid","CAS":"320-72-9","CAS.Checksum":true,"DTXSID":"DTXSID3044914","Formula":"C7H4Cl2O3","All.Compound.Names":"3,5-dichlorosalicylic acid|Dtxsid3044914|320-72-9","logHenry":-8.149,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.736,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.103,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.003,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.5,"MP.Reference":"EPA-CCD-OPERA","MW":207,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"320-72-9"}
{"Compound":"Nafronyl oxalate","CAS":"3200-06-4","CAS.Checksum":true,"DTXSID":"DTXSID6045533","Formula":"C26H35NO7","All.Compound.Names":"Nafronyl oxalate|Dtxsid6045533|3200-06-4","logHenry":-6.774,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3163,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.39,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.803,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.1,"MP.Reference":"EPA-CCD-OPERA","MW":473.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3200-06-4"}
{"Compound":"3-methoxy-5-methylphenol","CAS":"3209-13-0","CAS.Checksum":true,"DTXSID":"DTXSID1047443","Formula":"C8H10O2","All.Compound.Names":"3-methoxy-5-methylphenol|Dtxsid1047443|3209-13-0","logHenry":-6.583,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.885,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.715,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.467,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.12,"MP.Reference":"EPA-CCD-OPERA","MW":138.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3209-13-0"}
{"Compound":"2,3-dichloronitrobenzene","CAS":"3209-22-1","CAS.Checksum":true,"DTXSID":"DTXSID8024997","Formula":"C6H3Cl2NO2","All.Compound.Names":"2,3-dichloronitrobenzene|Dtxsid8024997","logHenry":-5.044,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.05,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.526,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.1,"MP.Reference":"EPA-CCD-OPERA","MW":192,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3209-22-1"}
{"Compound":"Haloxon","CAS":"321-55-1","CAS.Checksum":true,"DTXSID":"DTXSID5046221","Formula":"C14H14Cl3O6P","All.Compound.Names":"Haloxon|Dtxsid5046221","logHenry":-8.324,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.653,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.042,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.494,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.99,"MP.Reference":"EPA-CCD-OPERA","MW":415.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"321-55-1"}
{"Compound":"2-fluorobiphenyl","CAS":"321-60-8","CAS.Checksum":true,"DTXSID":"DTXSID5047744","Formula":"C12H9F","All.Compound.Names":"2-fluorobiphenyl|Dtxsid5047744","logHenry":-3.818,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.264,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.698,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.303,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.31,"MP.Reference":"EPA-CCD-OPERA","MW":172.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"321-60-8"}
{"Compound":"Selenium-l-methionine","CAS":"3211-76-5","CAS.Checksum":true,"DTXSID":"DTXSID8046824","Formula":"C5H11NO2Se","All.Compound.Names":"Selenium-l-methionine|Dtxsid8046824|3211-76-5","logHenry":-6.272,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.13,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.243,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2849,"logWSol.Reference":"EPA-CCD-OPERA","MP":237.5,"MP.Reference":"EPA-CCD-OPERA","MW":196.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.64","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"1.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3211-76-5"}
{"Compound":"Triethylsulfonium bis(trifluoromethanesulfonyl)imide","CAS":"321746-49-0","CAS.Checksum":true,"DTXSID":"DTXSID4047888","Formula":"C8H15F6NO4S3","All.Compound.Names":"Triethylsulfonium bis(trifluoromethanesulfonyl)imide","MW":399.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"321746-49-0"}
{"Compound":"Triflusal","CAS":"322-79-2","CAS.Checksum":true,"DTXSID":"DTXSID8045305","Formula":"C10H7F3O4","All.Compound.Names":"Triflusal|Dtxsid8045305|322-79-2","logHenry":-7.878,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.405,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.314,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.71,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.1,"MP.Reference":"EPA-CCD-OPERA","MW":248.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"322-79-2"}
{"Compound":"4-tert-butylcyclohexyl acetate","CAS":"32210-23-4","CAS.Checksum":true,"DTXSID":"DTXSID1027974","Formula":"C12H22O2","All.Compound.Names":"4-tert-butylcyclohexyl acetate|Dtxsid1027974","logHenry":-3.668,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.796,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.039,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.119,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.35,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32210-23-4"}
{"Compound":"Hexoprenaline sulfate","CAS":"32266-10-7","CAS.Checksum":true,"DTXSID":"DTXSID6046688","Formula":"C22H34N2O10S","All.Compound.Names":"Hexoprenaline sulfate|Dtxsid6046688|32266-10-7","logHenry":-10.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4124,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.16,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.6,"MP.Reference":"EPA-CCD-OPERA","MW":518.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32266-10-7"}
{"Compound":"Tosifen","CAS":"32295-18-4","CAS.Checksum":true,"DTXSID":"DTXSID3046118","Formula":"C17H20N2O3S","All.Compound.Names":"Tosifen|Dtxsid3046118|32295-18-4","logHenry":-9.393,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.736,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.648,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.11,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.6,"MP.Reference":"EPA-CCD-OPERA","MW":332.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32295-18-4"}
{"Compound":"3-methyl-3,4-dihydro-2h-1,4-benzoxazine","CAS":"32329-20-7","CAS.Checksum":true,"DTXSID":"DTXSID8044915","Formula":"C9H11NO","All.Compound.Names":"3-methyl-3,4-dihydro-2h-1,4-benzoxazine|Dtxsid8044915|32329-20-7","logHenry":-6.423,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.076,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.638,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.119,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.45,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32329-20-7"}
{"Compound":"1,2-epoxytetradecane","CAS":"3234-28-4","CAS.Checksum":true,"DTXSID":"DTXSID9025249","Formula":"C14H28O","All.Compound.Names":"1,2-epoxytetradecane|Dtxsid9025249","logHenry":-3.836,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.18,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.081,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.684,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.07,"MP.Reference":"EPA-CCD-OPERA","MW":212.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3234-28-4"}
{"Compound":"1-butyl-4-methylpyridinium iodide","CAS":"32353-64-3","CAS.Checksum":true,"DTXSID":"DTXSID7049267","Formula":"C10H16IN","All.Compound.Names":"1-butyl-4-methylpyridinium iodide|Dtxsid7049267|32353-64-3","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.579,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.072,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":165,"MP.Reference":"EPA-CCD-OPERA","MW":277.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32353-64-3"}
{"Compound":"2-propenoic acid, 2-methyl-, octadecyl ester","CAS":"32360-05-7","CAS.Checksum":true,"DTXSID":"DTXSID6027975","Formula":"C22H42O2","All.Compound.Names":"2-propenoic acid, 2-methyl-, octadecyl ester|Stearyl methacrylate|Dtxsid6027975","logHenry":-6.623,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.173,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.394,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.777,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.58,"MP.Reference":"EPA-CCD-OPERA","MW":338.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32360-05-7"}
{"Compound":"Dl-coniine","CAS":"3238-60-6","CAS.Checksum":true,"DTXSID":"DTXSID3046821","Formula":"C8H17N","All.Compound.Names":"Dl-coniine|Dtxsid3046821|3238-60-6","logHenry":-4.783,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.173,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.677,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.173,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.41,"MP.Reference":"EPA-CCD-OPERA","MW":127.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3238-60-6"}
{"Compound":"1-cedr-8-en-9-ylethanone","CAS":"32388-55-9","CAS.Checksum":true,"DTXSID":"DTXSID4029353","Formula":"C17H26O","All.Compound.Names":"1-cedr-8-en-9-ylethanone|Acetylcedrene|Dtxsid4029353","logHenry":-4.224,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.13,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.282,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.922,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.33,"MP.Reference":"EPA-CCD-OPERA","MW":246.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32388-55-9"}
{"Compound":"Dexfenfluramine hydrochloride","CAS":"3239-45-0","CAS.Checksum":true,"DTXSID":"DTXSID7048871","Formula":"C12H17ClF3N","All.Compound.Names":"Dexfenfluramine hydrochloride|Dtxsid7048871|3239-45-0","logHenry":-5.285,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2856,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.224,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.351,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.8,"MP.Reference":"EPA-CCD-OPERA","MW":267.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3239-45-0"}
{"Compound":"4'-fluoro-4-aminodiphenyl","CAS":"324-93-6","CAS.Checksum":true,"DTXSID":"DTXSID7020631","Formula":"C12H10FN","All.Compound.Names":"4'-fluoro-4-aminodiphenyl|Dtxsid7020631|324-93-6","logHenry":-7.443,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.076,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.181,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.162,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.45,"MP.Reference":"EPA-CCD-OPERA","MW":187.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"324-93-6"}
{"Compound":"Bis(methacryloyloxyethyl) hydrogen phosphate","CAS":"32435-46-4","CAS.Checksum":true,"DTXSID":"DTXSID3044916","Formula":"C12H19O8P","All.Compound.Names":"Bis(methacryloyloxyethyl) hydrogen phosphate|Dtxsid3044916|32435-46-4","logHenry":-8.758,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.226,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.551,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.586,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.99,"MP.Reference":"EPA-CCD-OPERA","MW":322.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32435-46-4"}
{"Compound":"D-glucuronolactone","CAS":"32449-92-6","CAS.Checksum":true,"DTXSID":"DTXSID6041844","Formula":"C6H8O6","All.Compound.Names":"D-glucuronolactone|Glucurolactone|Dtxsid6041844|32449-92-6","logHenry":-8.012,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.333,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.09076,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.9,"MP.Reference":"EPA-CCD-OPERA","MW":176.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32449-92-6"}
{"Compound":"Oxfenicine","CAS":"32462-30-9","CAS.Checksum":true,"DTXSID":"DTXSID3046403","Formula":"C8H9NO3","All.Compound.Names":"Oxfenicine|Dtxsid3046403|32462-30-9","logHenry":-9.305,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3439,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.468,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.065,"logWSol.Reference":"EPA-CCD-OPERA","MP":267.1,"MP.Reference":"EPA-CCD-OPERA","MW":167.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32462-30-9"}
{"Compound":"4-ethoxy-4-oxobut-2-enoic acid","CAS":"3249-53-4","CAS.Checksum":true,"DTXSID":"DTXSID1044485","Formula":"C6H8O4","All.Compound.Names":"4-ethoxy-4-oxobut-2-enoic acid|Dtxsid1044485|3249-53-4","logHenry":-7.765,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.03328,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.817,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.581,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.83,"MP.Reference":"EPA-CCD-OPERA","MW":144.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3249-53-4"}
{"Compound":"Dibromoacetonitrile","CAS":"3252-43-5","CAS.Checksum":true,"DTXSID":"DTXSID3024940","Formula":"C2HBr2N","All.Compound.Names":"Dibromoacetonitrile|Dtxsid3024940","logHenry":-5.369,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.02,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.137,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6254,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.851,"MP.Reference":"EPA-CCD-OPERA","MW":198.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3252-43-5"}
{"Compound":"Octabromodiphenyl ether","CAS":"32536-52-0","CAS.Checksum":true,"DTXSID":"DTXSID8024236","All.Compound.Names":"Octabromodiphenyl ether","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32536-52-0"}
{"Compound":"4,4,4-trifluoro-1-phenyl-1,3-butanedione","CAS":"326-06-7","CAS.Checksum":true,"DTXSID":"DTXSID2049268","Formula":"C10H7F3O2","All.Compound.Names":"4,4,4-trifluoro-1-phenyl-1,3-butanedione|Dtxsid2049268","logHenry":-7.365,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.643,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.598,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.481,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.89,"MP.Reference":"EPA-CCD-OPERA","MW":216.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"326-06-7"}
{"Compound":"Piperonyl acetate","CAS":"326-61-4","CAS.Checksum":true,"DTXSID":"DTXSID2025925","Formula":"C10H10O4","All.Compound.Names":"Piperonyl acetate|Dtxsid2025925","logHenry":-8.472,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.653,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.472,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.466,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.02,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"326-61-4"}
{"Compound":"4-chloro-2-methylanisole","CAS":"3260-85-3","CAS.Checksum":true,"DTXSID":"DTXSID6041507","Formula":"C8H9ClO","All.Compound.Names":"4-chloro-2-methylanisole|Dtxsid6041507","logHenry":-5.079,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.9,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.959,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.18,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.46,"MP.Reference":"EPA-CCD-OPERA","MW":156.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3260-85-3"}
{"Compound":"3-(methylthio)propanal","CAS":"3268-49-3","CAS.Checksum":true,"DTXSID":"DTXSID9027528","Formula":"C4H8OS","All.Compound.Names":"3-(methylthio)propanal|Dtxsid9027528","logHenry":-4.588,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.168,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.306,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8796,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.83,"MP.Reference":"EPA-CCD-OPERA","MW":104.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3268-49-3"}
{"Compound":"3-[3,5-di(tert-butyl)-4-hydroxyphenyl]propanohydrazide","CAS":"32687-77-7","CAS.Checksum":true,"DTXSID":"DTXSID1027978","Formula":"C17H28N2O2","All.Compound.Names":"3-[3,5-di(tert-butyl)-4-hydroxyphenyl]propanohydrazide|Dtxsid1027978|32687-77-7","logHenry":-9.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.369,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.843,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.667,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.9,"MP.Reference":"EPA-CCD-OPERA","MW":292.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32687-77-7"}
{"Compound":"Chlorogenic acid","CAS":"327-97-9","CAS.Checksum":true,"DTXSID":"DTXSID3024786","Formula":"C16H18O9","All.Compound.Names":"Chlorogenic acid|Dtxsid3024786|327-97-9","logHenry":-10.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2263,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.746,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9473,"logWSol.Reference":"EPA-CCD-OPERA","MP":239.6,"MP.Reference":"EPA-CCD-OPERA","MW":354.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"327-97-9"}
{"Compound":"Nifuraldezone","CAS":"3270-71-1","CAS.Checksum":true,"DTXSID":"DTXSID6046399","Formula":"C7H6N4O5","All.Compound.Names":"Nifuraldezone|Dtxsid6046399|3270-71-1","logHenry":-9.561,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.02777,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.718,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.522,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.1,"MP.Reference":"EPA-CCD-OPERA","MW":226.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3270-71-1"}
{"Compound":"1-methyl-1-propylpyrrolidinium hexfluorophosphate","CAS":"327022-58-2","CAS.Checksum":true,"DTXSID":"DTXSID7049269","Formula":"C8H18F6NP","All.Compound.Names":"1-methyl-1-propylpyrrolidinium hexfluorophosphate|Dtxsid7049269|327022-58-2","logHenry":-1.101,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7204,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.673,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.00873,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.5,"MP.Reference":"EPA-CCD-OPERA","MW":273.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"327022-58-2"}
{"Compound":"1,1,3,3-tetramethyldisiloxane","CAS":"3277-26-7","CAS.Checksum":true,"DTXSID":"DTXSID3052010","Formula":"C4H14OSi2","All.Compound.Names":"1,1,3,3-tetramethyldisiloxane|Dtxsid3052010","logHenry":0.2122,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.457,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2612,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.233,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.96,"MP.Reference":"EPA-CCD-OPERA","MW":134.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3277-26-7"}
{"Compound":"1,3,5-tribromo-2-(prop-2-en-1-yloxy)benzene","CAS":"3278-89-5","CAS.Checksum":true,"DTXSID":"DTXSID3044918","Formula":"C9H7Br3O","All.Compound.Names":"1,3,5-tribromo-2-(prop-2-en-1-yloxy)benzene|Dtxsid3044918","logHenry":-3.328,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.849,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.966,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.336,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.12,"MP.Reference":"EPA-CCD-OPERA","MW":370.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3278-89-5"}
{"Compound":"Labetalol hydrochloride","CAS":"32780-64-6","CAS.Checksum":true,"DTXSID":"DTXSID0044654","Formula":"C19H25ClN2O3","All.Compound.Names":"Labetalol hydrochloride|Dtxsid0044654|32780-64-6","logHenry":-11.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.09088,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.506,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.438,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.8,"MP.Reference":"EPA-CCD-OPERA","MW":364.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32780-64-6"}
{"Compound":"Improsulfan tosylate","CAS":"32784-82-0","CAS.Checksum":true,"DTXSID":"DTXSID1048750","Formula":"C15H27NO9S3","All.Compound.Names":"Improsulfan tosylate|Dtxsid1048750|32784-82-0","logHenry":-9.749,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8163,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.939,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.202,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.9,"MP.Reference":"EPA-CCD-OPERA","MW":461.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32784-82-0"}
{"Compound":"Nomifensine maleate","CAS":"32795-47-4","CAS.Checksum":true,"DTXSID":"DTXSID1045790","Formula":"C20H22N2O4","All.Compound.Names":"Nomifensine maleate|8-ammonio-1,2,3,4-tetrahydro-2-methyl-4-phenylisoquinolinium maleate|Dtxsid1045790|32795-47-4","logHenry":-7.026,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6747,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.85,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.061,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.9,"MP.Reference":"EPA-CCD-OPERA","MW":354.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32795-47-4"}
{"Compound":"D-leucine","CAS":"328-38-1","CAS.Checksum":true,"DTXSID":"DTXSID6046347","Formula":"C6H13NO2","All.Compound.Names":"D-leucine|(2r)-2-amino-4-methylpentanoic acid|Dtxsid6046347|328-38-1","logHenry":-6.271,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.523,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.954,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8493,"logWSol.Reference":"EPA-CCD-OPERA","MP":293,"MP.Reference":"EPA-CCD-OPERA","MW":131.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"328-38-1"}
{"Compound":"2-oxobutanedioic acid","CAS":"328-42-7","CAS.Checksum":true,"DTXSID":"DTXSID8021646","Formula":"C4H4O5","All.Compound.Names":"2-oxobutanedioic acid|Dtxsid8021646|328-42-7","logHenry":-8.708,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9721,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.38,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5774,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.6,"MP.Reference":"EPA-CCD-OPERA","MW":132.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"328-42-7"}
{"Compound":"Alpha-ketoglutaric acid","CAS":"328-50-7","CAS.Checksum":true,"DTXSID":"DTXSID5033179","Formula":"C5H6O5","All.Compound.Names":"Alpha-ketoglutaric acid|Dtxsid5033179|328-50-7","logHenry":-9.343,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.395,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.992,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.01433,"logWSol.Reference":"EPA-CCD-OPERA","MP":115.9,"MP.Reference":"EPA-CCD-OPERA","MW":146.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"328-50-7"}
{"Compound":"1,2-dichloro-4-(trifluoromethyl)benzene","CAS":"328-84-7","CAS.Checksum":true,"DTXSID":"DTXSID5027142","Formula":"C7H3Cl2F3","All.Compound.Names":"1,2-dichloro-4-(trifluoromethyl)benzene|Dtxsid5027142","logHenry":-2.343,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.947,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5743,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.583,"logWSol.Reference":"EPA-CCD-OPERA","MP":-12.6,"MP.Reference":"EPA-CCD-OPERA","MW":215,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"328-84-7"}
{"Compound":"1-ethyl-3-methylimidazolium tosylate","CAS":"328090-25-1","CAS.Checksum":true,"DTXSID":"DTXSID6049270","Formula":"C13H18N2O3S","All.Compound.Names":"1-ethyl-3-methylimidazolium tosylate|328090-25-1","logHenry":-2.13,"logHenry.Reference":"OPERA29","logP":-0.56,"logP.Reference":"OPERA29","logWSol":0.05,"logWSol.Reference":"OPERA29","MP":50,"MP.Reference":"OPERA29","MW":282.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"328090-25-1"}
{"Compound":"2,2-dimethylpropanoyl chloride","CAS":"3282-30-2","CAS.Checksum":true,"DTXSID":"DTXSID4027529","Formula":"C5H9ClO","All.Compound.Names":"2,2-dimethylpropanoyl chloride|Dtxsid4027529","logHenry":-4.648,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.429,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.957,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.301,"logWSol.Reference":"EPA-CCD-OPERA","MP":-80.16,"MP.Reference":"EPA-CCD-OPERA","MW":120.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3282-30-2"}
{"Compound":"Didodecyldimethylammonium bromide","CAS":"3282-73-3","CAS.Checksum":true,"DTXSID":"DTXSID5047112","Formula":"C26H56BrN","All.Compound.Names":"Didodecyldimethylammonium bromide|Dtxsid5047112|3282-73-3","logHenry":-6.102,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.003,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.573,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.915,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.6,"MP.Reference":"EPA-CCD-OPERA","MW":462.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3282-73-3"}
{"Compound":"Butoctamide semisuccinate","CAS":"32838-28-1","CAS.Checksum":true,"DTXSID":"DTXSID4057716","Formula":"C16H29NO5","All.Compound.Names":"Butoctamide semisuccinate|Dtxsid4057716|32838-28-1","logHenry":-11.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.228,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.99,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.061,"logWSol.Reference":"EPA-CCD-OPERA","MP":106,"MP.Reference":"EPA-CCD-OPERA","MW":315.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32838-28-1"}
{"Compound":"Bisibutiamine","CAS":"3286-46-2","CAS.Checksum":true,"DTXSID":"DTXSID5046641","Formula":"C32H46N8O6S2","All.Compound.Names":"Bisibutiamine|Dtxsid5046641|3286-46-2","logHenry":-10.06,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.225,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.57,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.691,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.8,"MP.Reference":"EPA-CCD-OPERA","MW":702.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3286-46-2"}
{"Compound":"Pivmecillinam hydrochloride","CAS":"32887-03-9","CAS.Checksum":true,"DTXSID":"DTXSID1045453","Formula":"C21H34ClN3O5S","All.Compound.Names":"Pivmecillinam hydrochloride|Dtxsid1045453|32887-03-9","logHenry":-7.706,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5342,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.17,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.633,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.89,"MP.Reference":"EPA-CCD-OPERA","MW":476,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32887-03-9"}
{"Compound":"Procyazine","CAS":"32889-48-8","CAS.Checksum":true,"DTXSID":"DTXSID1034844","Formula":"C10H13ClN6","All.Compound.Names":"Procyazine|Dtxsid1034844|32889-48-8","logHenry":-8.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.99,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.198,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.857,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.9,"MP.Reference":"EPA-CCD-OPERA","MW":252.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32889-48-8"}
{"Compound":"1-isocyanato-3-(trifluoromethyl)benzene","CAS":"329-01-1","CAS.Checksum":true,"DTXSID":"DTXSID0027143","Formula":"C8H4F3NO","All.Compound.Names":"1-isocyanato-3-(trifluoromethyl)benzene|3-(trifluoromethyl)phenyl isocyanate|Dtxsid0027143|329-01-1","logHenry":-3.744,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.589,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.147,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.694,"logWSol.Reference":"EPA-CCD-OPERA","MP":33.66,"MP.Reference":"EPA-CCD-OPERA","MW":187.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"329-01-1"}
{"Compound":"(r,s)-epinephrine hydrochloride","CAS":"329-63-5","CAS.Checksum":true,"DTXSID":"DTXSID9057717","Formula":"C9H14ClNO3","All.Compound.Names":"(r,s)-epinephrine hydrochloride|Dtxsid9057717|329-63-5","logHenry":-10.44,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.517,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.92,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.437,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.5,"MP.Reference":"EPA-CCD-OPERA","MW":219.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"329-63-5"}
{"Compound":"6-aminonicotinamide","CAS":"329-89-5","CAS.Checksum":true,"DTXSID":"DTXSID5051446","Formula":"C6H7N3O","All.Compound.Names":"6-aminonicotinamide|6-aminopyridine-3-carboxamide|Dtxsid5051446|329-89-5","logHenry":-9.896,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6976,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.265,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.169,"logWSol.Reference":"EPA-CCD-OPERA","MP":246.4,"MP.Reference":"EPA-CCD-OPERA","MW":137.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.48","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"329-89-5"}
{"Compound":"Trimethylolpropane trimethacrylate","CAS":"3290-92-4","CAS.Checksum":true,"DTXSID":"DTXSID3027530","Formula":"C18H26O6","All.Compound.Names":"Trimethylolpropane trimethacrylate|1,1,1-trimethylolpropane trimethacrylate|Dtxsid3027530","logHenry":-5.023,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.385,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.466,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.41,"logWSol.Reference":"EPA-CCD-OPERA","MP":-12.21,"MP.Reference":"EPA-CCD-OPERA","MW":338.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3290-92-4"}
{"Compound":"2,2-bis(bromomethyl)-1,3-propanediol","CAS":"3296-90-0","CAS.Checksum":true,"DTXSID":"DTXSID9020164","Formula":"C5H10Br2O2","All.Compound.Names":"2,2-bis(bromomethyl)-1,3-propanediol|Pentaerythritol dibromide|Dtxsid9020164|3296-90-0","logHenry":-6.645,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.061,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.778,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8389,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.9,"MP.Reference":"EPA-CCD-OPERA","MW":261.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3296-90-0"}
{"Compound":"Nicarbazin","CAS":"330-95-0","CAS.Checksum":true,"DTXSID":"DTXSID6034762","Formula":"C19H18N6O6","All.Compound.Names":"Nicarbazin|1,3-bis(4-nitrophenyl)urea 4,6-dimethylpyrimidin-2-ol (1:1)","MW":426.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"330-95-0"}
{"Compound":"2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}butyl 3-sulfanylpropanoate","CAS":"33007-83-9","CAS.Checksum":true,"DTXSID":"DTXSID8044919","Formula":"C15H26O6S3","All.Compound.Names":"2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}butyl 3-sulfanylpropanoate|Dtxsid8044919|33007-83-9","logHenry":-9.114,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.307,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.5,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.065,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.49,"MP.Reference":"EPA-CCD-OPERA","MW":398.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.77","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33007-83-9"}
{"Compound":"3,5,5-trimethylhexanoic acid","CAS":"3302-10-1","CAS.Checksum":true,"DTXSID":"DTXSID6029254","Formula":"C9H18O2","All.Compound.Names":"3,5,5-trimethylhexanoic acid|Dtxsid6029254|3302-10-1","logHenry":-5.975,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.349,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.72,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.498,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.7,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3302-10-1"}
{"Compound":"Methapyrilene fumarate","CAS":"33032-12-1","CAS.Checksum":true,"DTXSID":"DTXSID0047404","Formula":"C40H50N6O12S2","All.Compound.Names":"Methapyrilene fumarate|Dtxsid0047404|33032-12-1","logHenry":-5.606,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6747,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.039,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.643,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.7,"MP.Reference":"EPA-CCD-OPERA","MW":871,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33032-12-1"}
{"Compound":"Methyl 5-sulfamoyl-o-anisate","CAS":"33045-52-2","CAS.Checksum":true,"DTXSID":"DTXSID4057718","Formula":"C9H11NO5S","All.Compound.Names":"Methyl 5-sulfamoyl-o-anisate|Dtxsid4057718|33045-52-2","logHenry":-9.544,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.003,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.759,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.722,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.8,"MP.Reference":"EPA-CCD-OPERA","MW":245.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33045-52-2"}
{"Compound":"1-butyl-1-methylpyrrolidinium hexafluorophosphate","CAS":"330671-29-9","CAS.Checksum":true,"DTXSID":"DTXSID2047937","Formula":"C9H20F6NP","All.Compound.Names":"1-butyl-1-methylpyrrolidinium hexafluorophosphate|Dtxsid2047937|330671-29-9","logHenry":-1.157,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7187,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.436,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.356,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.5,"MP.Reference":"EPA-CCD-OPERA","MW":287.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"330671-29-9"}
{"Compound":"N'-(2,4-dimethylphenyl)-n-methylformamidine","CAS":"33089-74-6","CAS.Checksum":true,"DTXSID":"DTXSID1037696","Formula":"C10H14N2","All.Compound.Names":"N'-(2,4-dimethylphenyl)-n-methylformamidine|Dtxsid1037696|33089-74-6","logHenry":-6.574,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.916,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.996,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.569,"logWSol.Reference":"EPA-CCD-OPERA","MP":117.5,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33089-74-6"}
{"Compound":"Caffeic acid","CAS":"331-39-5","CAS.Checksum":true,"DTXSID":"DTXSID5020231","Formula":"C9H8O4","All.Compound.Names":"Caffeic acid|3,4-dihydroxycinnamic acid|Dtxsid5020231|331-39-5","logHenry":-8.581,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.149,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.168,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.747,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.9,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"331-39-5"}
{"Compound":"Ecabet","CAS":"33159-27-2","CAS.Checksum":true,"DTXSID":"DTXSID7046881","Formula":"C20H28O5S","All.Compound.Names":"Ecabet|Dtxsid7046881|33159-27-2","logHenry":-9.651,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.332,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.097,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.016,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.8,"MP.Reference":"EPA-CCD-OPERA","MW":380.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33159-27-2"}
{"Compound":"Mk-547","CAS":"331623-06-4","CAS.Checksum":true,"DTXSID":"DTXSID4047331","Formula":"C31H31NNa2O7","All.Compound.Names":"Mk-547|Dtxsid4047331|331623-06-4","logHenry":-7.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.97,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.735,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.112,"logWSol.Reference":"EPA-CCD-OPERA","MP":194,"MP.Reference":"EPA-CCD-OPERA","MW":575.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"331623-06-4"}
{"Compound":"1-ethyl-3-methylimidazolium thiocyanate","CAS":"331717-63-6","CAS.Checksum":true,"DTXSID":"DTXSID4047884","Formula":"C7H11N3S","All.Compound.Names":"1-ethyl-3-methylimidazolium thiocyanate|Dtxsid4047884|331717-63-6","logHenry":-2.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.371,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.775,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01646,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.65,"MP.Reference":"EPA-CCD-OPERA","MW":169.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"331717-63-6"}
{"Compound":"Muraglitazar","CAS":"331741-94-7","CAS.Checksum":true,"DTXSID":"DTXSID9057719","Formula":"C29H28N2O7","All.Compound.Names":"Muraglitazar|Dtxsid9057719|331741-94-7","logHenry":-7.386,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.005,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.165,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.455,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.3,"MP.Reference":"EPA-CCD-OPERA","MW":516.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.85","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"331741-94-7"}
{"Compound":"Potassium antimony(iii) tartrate hydrate","CAS":"331753-56-1","CAS.Checksum":true,"DTXSID":"DTXSID5049023","All.Compound.Names":"Potassium antimony(iii) tartrate hydrate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"331753-56-1"}
{"Compound":"(e)-11-tetradecen-1-ol acetate","CAS":"33189-72-9","CAS.Checksum":true,"DTXSID":"DTXSID1035286","Formula":"C16H30O2","All.Compound.Names":"(e)-11-tetradecen-1-ol acetate|Dtxsid1035286|(e)-11-tetradecenyl acetate","logHenry":-6.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.378,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.036,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.073,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.35,"MP.Reference":"EPA-CCD-OPERA","MW":254.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33189-72-9"}
{"Compound":"Tris(2-ethylhexyl) trimellitate","CAS":"3319-31-1","CAS.Checksum":true,"DTXSID":"DTXSID9026265","Formula":"C33H54O6","All.Compound.Names":"Tris(2-ethylhexyl) trimellitate|Dtxsid9026265","logHenry":-6.555,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.97,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.707,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.744,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.05,"MP.Reference":"EPA-CCD-OPERA","MW":546.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3319-31-1"}
{"Compound":"N-methyl-3-piperidyl benzilate","CAS":"3321-80-0","CAS.Checksum":true,"DTXSID":"DTXSID2046258","Formula":"C20H23NO3","All.Compound.Names":"N-methyl-3-piperidyl benzilate|Dtxsid2046258|Alpha-hydroxy-alpha-phenyl-benzeneacetic acid 1-methyl-3-piperidinyl ester|3321-80-0","logHenry":-8.33,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.648,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.627,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.272,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.7,"MP.Reference":"EPA-CCD-OPERA","MW":325.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3321-80-0"}
{"Compound":"1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane","CAS":"3322-93-8","CAS.Checksum":true,"DTXSID":"DTXSID8024947","Formula":"C8H12Br4","All.Compound.Names":"1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane|Dtxsid8024947","logHenry":-5.035,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.146,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.279,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.783,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.13,"MP.Reference":"EPA-CCD-OPERA","MW":427.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3322-93-8"}
{"Compound":"Hc blue 2","CAS":"33229-34-4","CAS.Checksum":true,"DTXSID":"DTXSID6020193","Formula":"C12H19N3O5","All.Compound.Names":"Hc blue 2|Dtxsid6020193|33229-34-4","logHenry":-8.787,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.699,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.695,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.21,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.58,"MP.Reference":"EPA-CCD-OPERA","MW":285.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33229-34-4"}
{"Compound":"Aprindine hydrochloride","CAS":"33237-74-0","CAS.Checksum":true,"DTXSID":"DTXSID5046726","Formula":"C22H31ClN2","All.Compound.Names":"Aprindine hydrochloride|Dtxsid5046726|33237-74-0","logHenry":-6.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.331,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.313,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.036,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.1,"MP.Reference":"EPA-CCD-OPERA","MW":359,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33237-74-0"}
{"Compound":"Fluchloralin","CAS":"33245-39-5","CAS.Checksum":true,"DTXSID":"DTXSID9032614","Formula":"C12H13ClF3N3O4","All.Compound.Names":"Fluchloralin|Dtxsid9032614|33245-39-5","logHenry":-4.933,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.633,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.575,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.605,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.02,"MP.Reference":"EPA-CCD-OPERA","MW":355.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33245-39-5"}
{"Compound":"1-propanaminium, 3-chloro-2-hydroxy-n,n,n-trimethyl-, chloride","CAS":"3327-22-8","CAS.Checksum":true,"DTXSID":"DTXSID3027534","Formula":"C6H15Cl2NO","All.Compound.Names":"1-propanaminium, 3-chloro-2-hydroxy-n,n,n-trimethyl-, chloride|(3-chloro-2-hydroxypropyl)trimethylammonium chloride|Dtxsid3027534|3327-22-8","logHenry":-4.895,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.043,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.814,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3174,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.4,"MP.Reference":"EPA-CCD-OPERA","MW":188.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3327-22-8"}
{"Compound":"Potassium thiocyanate","CAS":"333-20-0","CAS.Checksum":true,"DTXSID":"DTXSID7029619","Formula":"CKNS","All.Compound.Names":"Potassium thiocyanate|Dtxsid7029619|333-20-0","logHenry":-6.038,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.838,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.033,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.142,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.1,"MP.Reference":"EPA-CCD-OPERA","MW":97.18,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"333-20-0"}
{"Compound":"Methyl trifluoromethanesulfonate","CAS":"333-27-7","CAS.Checksum":true,"DTXSID":"DTXSID6049272","Formula":"C2H3F3O3S","All.Compound.Names":"Methyl trifluoromethanesulfonate|Dtxsid6049272","logHenry":-2.57,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.405,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6657,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5196,"logWSol.Reference":"EPA-CCD-OPERA","MP":-19.17,"MP.Reference":"EPA-CCD-OPERA","MW":164.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"333-27-7"}
{"Compound":"Flurothyl","CAS":"333-36-8","CAS.Checksum":true,"DTXSID":"DTXSID5046516","Formula":"C4H4F6O","All.Compound.Names":"Flurothyl|Dtxsid5046516","logHenry":-2.201,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.693,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5145,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.728,"logWSol.Reference":"EPA-CCD-OPERA","MP":-70.86,"MP.Reference":"EPA-CCD-OPERA","MW":182.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"333-36-8"}
{"Compound":"9,10-dihydrobenzo[a]pyren-7(8h)-one","CAS":"3331-46-2","CAS.Checksum":true,"DTXSID":"DTXSID1049271","Formula":"C20H14O","All.Compound.Names":"9,10-dihydrobenzo[a]pyren-7(8h)-one|Dtxsid1049271","logHenry":-6.059,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.951,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.226,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.295,"logWSol.Reference":"EPA-CCD-OPERA","MP":275.8,"MP.Reference":"EPA-CCD-OPERA","MW":270.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3331-46-2"}
{"Compound":"Tetramethylsuccinonitrile","CAS":"3333-52-6","CAS.Checksum":true,"DTXSID":"DTXSID0026125","Formula":"C8H12N2","All.Compound.Names":"Tetramethylsuccinonitrile|Dtxsid0026125","logHenry":-6.149,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.707,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.734,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5953,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.2,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3333-52-6"}
{"Compound":"Gliquidone","CAS":"33342-05-1","CAS.Checksum":true,"DTXSID":"DTXSID4023096","Formula":"C27H33N3O6S","All.Compound.Names":"Gliquidone|Dtxsid4023096|33342-05-1","logHenry":-7.888,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.093,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.632,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.511,"logWSol.Reference":"EPA-CCD-OPERA","MP":181,"MP.Reference":"EPA-CCD-OPERA","MW":527.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33342-05-1"}
{"Compound":"3,5-dibromo-4-hydroxybenzoic acid","CAS":"3337-62-0","CAS.Checksum":true,"DTXSID":"DTXSID4041656","Formula":"C7H4Br2O3","All.Compound.Names":"3,5-dibromo-4-hydroxybenzoic acid|Dtxsid4041656|3337-62-0","logHenry":-9.101,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.035,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.921,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6408,"logWSol.Reference":"EPA-CCD-OPERA","MP":236.6,"MP.Reference":"EPA-CCD-OPERA","MW":295.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3337-62-0"}
{"Compound":"Decanoic acid","CAS":"334-48-5","CAS.Checksum":true,"DTXSID":"DTXSID9021554","Formula":"C10H20O2","All.Compound.Names":"Decanoic acid|Dtxsid9021554|334-48-5","logHenry":-6.809,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.087,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.627,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.441,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.78,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"334-48-5"}
{"Compound":"Pyrantel tartrate","CAS":"33401-94-4","CAS.Checksum":true,"DTXSID":"DTXSID4048858","Formula":"C15H20N2O6S","All.Compound.Names":"Pyrantel tartrate|Dtxsid4048858|33401-94-4","logHenry":-6.53,"logHenry.Reference":"OPERA29","logP":-0.67,"logP.Reference":"OPERA29","logWSol":-3.35,"logWSol.Reference":"OPERA29","MP":69,"MP.Reference":"OPERA29","MW":356.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33401-94-4"}
{"Compound":"Metaraminol bitartrate","CAS":"33402-03-8","CAS.Checksum":true,"DTXSID":"DTXSID1045580","Formula":"C13H19NO8","All.Compound.Names":"Metaraminol bitartrate|Dtxsid1045580|33402-03-8","logHenry":-8.527,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7936,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.063,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.5,"MP.Reference":"EPA-CCD-OPERA","MW":317.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33402-03-8"}
{"Compound":"Ftormetazine","CAS":"33414-30-1","CAS.Checksum":true,"DTXSID":"DTXSID1046180","Formula":"C21H22F3N3OS","All.Compound.Names":"Ftormetazine|Dtxsid1046180|33414-30-1","logHenry":-7.256,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.232,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.334,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.996,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.6,"MP.Reference":"EPA-CCD-OPERA","MW":421.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33414-30-1"}
{"Compound":"Ftorpropazine","CAS":"33414-36-7","CAS.Checksum":true,"DTXSID":"DTXSID7046176","Formula":"C22H24F3N3O2S","All.Compound.Names":"Ftorpropazine|Dtxsid7046176|33414-36-7","logHenry":-9.751,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.232,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.112,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.727,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.6,"MP.Reference":"EPA-CCD-OPERA","MW":451.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33414-36-7"}
{"Compound":"12-bromo-1-dodecanol","CAS":"3344-77-2","CAS.Checksum":true,"DTXSID":"DTXSID1049273","Formula":"C12H25BrO","All.Compound.Names":"12-bromo-1-dodecanol|Dtxsid1049273|3344-77-2","logHenry":-4.701,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.327,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.139,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.811,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.31,"MP.Reference":"EPA-CCD-OPERA","MW":265.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3344-77-2"}
{"Compound":"(3z)-hex-3-en-1-yl propanoate","CAS":"33467-74-2","CAS.Checksum":true,"DTXSID":"DTXSID6047579","Formula":"C9H16O2","All.Compound.Names":"(3z)-hex-3-en-1-yl propanoate|Dtxsid6047579","logHenry":-3.28,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.902,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.533,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.174,"logWSol.Reference":"EPA-CCD-OPERA","MP":-58.96,"MP.Reference":"EPA-CCD-OPERA","MW":156.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33467-74-2"}
{"Compound":"Dithianon","CAS":"3347-22-6","CAS.Checksum":true,"DTXSID":"DTXSID8040270","Formula":"C14H4N2O2S2","All.Compound.Names":"Dithianon|Dtxsid8040270","logHenry":-5.689,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.839,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.86,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":224.9,"MP.Reference":"EPA-CCD-OPERA","MW":296.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3347-22-6"}
{"Compound":"Capreomycin ib","CAS":"33490-33-4","CAS.Checksum":true,"DTXSID":"DTXSID4046652","Formula":"C25H44N14O7","All.Compound.Names":"Capreomycin ib|Dtxsid4046652|33490-33-4","logHenry":-10.6,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.681,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.937,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.855,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.3,"MP.Reference":"EPA-CCD-OPERA","MW":652.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33490-33-4"}
{"Compound":"1,2,4-triazin-5(2h)-one, 4-amino-6-(1,1-dimethylethyl)-3,4-dihydro-3-thioxo-","CAS":"33509-43-2","CAS.Checksum":true,"DTXSID":"DTXSID0027981","Formula":"C7H12N4OS","All.Compound.Names":"1,2,4-triazin-5(2h)-one, 4-amino-6-(1,1-dimethylethyl)-3,4-dihydro-3-thioxo-|4-amino-6-tert-butyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2h)-one|Dtxsid0027981|33509-43-2","logHenry":-9.194,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.316,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.212,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.337,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.5,"MP.Reference":"EPA-CCD-OPERA","MW":200.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-1.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33509-43-2"}
{"Compound":"N,n-diethyldodecanamide","CAS":"3352-87-2","CAS.Checksum":true,"DTXSID":"DTXSID5044655","Formula":"C16H33NO","All.Compound.Names":"N,n-diethyldodecanamide|Dtxsid5044655|3352-87-2","logHenry":-7.091,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.07,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.884,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.735,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.2,"MP.Reference":"EPA-CCD-OPERA","MW":255.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3352-87-2"}
{"Compound":"Cefoxitin sodium salt","CAS":"33564-30-6","CAS.Checksum":true,"DTXSID":"DTXSID8048995","Formula":"C16H16N3NaO7S2","All.Compound.Names":"Cefoxitin sodium salt|Dtxsid8048995|33564-30-6","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1777,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.609,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.051,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.6,"MP.Reference":"EPA-CCD-OPERA","MW":449.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33564-30-6"}
{"Compound":"Diflorasone diacetate","CAS":"33564-31-7","CAS.Checksum":true,"DTXSID":"DTXSID8045646","Formula":"C26H32F2O7","All.Compound.Names":"Diflorasone diacetate|Dtxsid8045646|33564-31-7","logHenry":-11.25,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.433,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.864,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.837,"logWSol.Reference":"EPA-CCD-OPERA","MP":255.3,"MP.Reference":"EPA-CCD-OPERA","MW":494.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33564-31-7"}
{"Compound":"(s)-ketamine","CAS":"33643-46-8","CAS.Checksum":true,"DTXSID":"DTXSID6047810","Formula":"C13H16ClNO","All.Compound.Names":"(s)-ketamine|Esketamine|Dtxsid6047810|33643-46-8","logHenry":-8.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.189,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.357,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1492,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.47,"MP.Reference":"EPA-CCD-OPERA","MW":237.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33643-46-8"}
{"Compound":"Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (2r)-","CAS":"33643-49-1","CAS.Checksum":true,"DTXSID":"DTXSID2048747","Formula":"C13H16ClNO","All.Compound.Names":"Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (2r)-|(+)-ketamine|Dtxsid2048747|33643-49-1","logHenry":-8.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.189,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.357,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1492,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.47,"MP.Reference":"EPA-CCD-OPERA","MW":237.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33643-49-1"}
{"Compound":"Secnidazole","CAS":"3366-95-8","CAS.Checksum":true,"DTXSID":"DTXSID3045934","Formula":"C7H11N3O3","All.Compound.Names":"Secnidazole|Dtxsid3045934|3366-95-8","logHenry":-8.221,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2201,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.241,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.621,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.11,"MP.Reference":"EPA-CCD-OPERA","MW":185.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3366-95-8"}
{"Compound":"Terbumeton","CAS":"33693-04-8","CAS.Checksum":true,"DTXSID":"DTXSID1042445","Formula":"C10H19N5O","All.Compound.Names":"Terbumeton|Dtxsid1042445|33693-04-8","logHenry":-7.523,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.1,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.318,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.213,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.4,"MP.Reference":"EPA-CCD-OPERA","MW":225.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33693-04-8"}
{"Compound":"Tert-butyl hydrogen phthalate","CAS":"33693-84-4","CAS.Checksum":true,"DTXSID":"DTXSID1047150","Formula":"C12H14O4","All.Compound.Names":"Tert-butyl hydrogen phthalate|Dtxsid1047150|33693-84-4","logHenry":-8.615,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.841,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.366,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.966,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.6,"MP.Reference":"EPA-CCD-OPERA","MW":222.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33693-84-4"}
{"Compound":"Flugestone","CAS":"337-03-1","CAS.Checksum":true,"DTXSID":"DTXSID0048765","Formula":"C21H29FO4","All.Compound.Names":"Flugestone|Dtxsid0048765|337-03-1","logHenry":-10.28,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.329,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.02,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.639,"logWSol.Reference":"EPA-CCD-OPERA","MP":260.6,"MP.Reference":"EPA-CCD-OPERA","MW":364.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"337-03-1"}
{"Compound":"Thiamylal sodium","CAS":"337-47-3","CAS.Checksum":true,"DTXSID":"DTXSID3045988","Formula":"C12H17N2NaO2S","All.Compound.Names":"Thiamylal sodium|Dtxsid3045988|337-47-3","logHenry":-8.68,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7045,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.162,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.835,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.5,"MP.Reference":"EPA-CCD-OPERA","MW":276.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"337-47-3"}
{"Compound":"Hexanedioic acid, diisononyl ester","CAS":"33703-08-1","CAS.Checksum":true,"DTXSID":"DTXSID5027982","All.Compound.Names":"Hexanedioic acid, diisononyl ester|Diisononyl adipate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33703-08-1"}
{"Compound":"Dihydro-1,1,2,3,3-pentamethyl-4(5h)-indanone","CAS":"33704-61-9","CAS.Checksum":true,"DTXSID":"DTXSID8047399","Formula":"C14H22O","All.Compound.Names":"Dihydro-1,1,2,3,3-pentamethyl-4(5h)-indanone|Cashmeran|Dtxsid8047399","logHenry":-3.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.849,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.507,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.505,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.38,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33704-61-9"}
{"Compound":"N-normorphine hydrochloride","CAS":"3372-02-9","CAS.Checksum":true,"DTXSID":"DTXSID6048915","Formula":"C16H18ClNO3","All.Compound.Names":"N-normorphine hydrochloride|Dtxsid6048915|3372-02-9","logHenry":-10.36,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7172,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.938,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.182,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.9,"MP.Reference":"EPA-CCD-OPERA","MW":307.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3372-02-9"}
{"Compound":"Dl-cysteine","CAS":"3374-22-9","CAS.Checksum":true,"DTXSID":"DTXSID5046988","Formula":"C3H7NO2S","All.Compound.Names":"Dl-cysteine|Dtxsid5046988|3374-22-9","logHenry":-8.616,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.486,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.655,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.359,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.8,"MP.Reference":"EPA-CCD-OPERA","MW":121.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.72","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3374-22-9"}
{"Compound":"Proroxan","CAS":"33743-96-3","CAS.Checksum":true,"DTXSID":"DTXSID9046285","Formula":"C21H23NO3","All.Compound.Names":"Proroxan|Dtxsid9046285|33743-96-3","logHenry":-6.876,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.872,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.704,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.142,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.1,"MP.Reference":"EPA-CCD-OPERA","MW":337.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33743-96-3"}
{"Compound":"Dexamethasone valerate","CAS":"33755-46-3","CAS.Checksum":true,"DTXSID":"DTXSID3022904","Formula":"C27H37FO6","All.Compound.Names":"Dexamethasone valerate|Dtxsid3022904|33755-46-3","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.603,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.983,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.711,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.7,"MP.Reference":"EPA-CCD-OPERA","MW":476.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33755-46-3"}
{"Compound":"Oxendolone","CAS":"33765-68-3","CAS.Checksum":true,"DTXSID":"DTXSID8048814","Formula":"C20H30O2","All.Compound.Names":"Oxendolone|Dtxsid8048814|33765-68-3","logHenry":-8.359,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.272,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.941,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.907,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.2,"MP.Reference":"EPA-CCD-OPERA","MW":302.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33765-68-3"}
{"Compound":"D-alanine","CAS":"338-69-2","CAS.Checksum":true,"DTXSID":"DTXSID3045649","Formula":"C3H7NO2","All.Compound.Names":"D-alanine|Dtxsid3045649|338-69-2","logHenry":-7.692,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.847,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.763,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2687,"logWSol.Reference":"EPA-CCD-OPERA","MP":292,"MP.Reference":"EPA-CCD-OPERA","MW":89.09,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.54","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"338-69-2"}
{"Compound":"Isoflupredone acetate","CAS":"338-98-7","CAS.Checksum":true,"DTXSID":"DTXSID3045306","Formula":"C23H29FO6","All.Compound.Names":"Isoflupredone acetate|Dtxsid3045306|338-98-7","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.282,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.548,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.3,"MP.Reference":"EPA-CCD-OPERA","MW":420.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"338-98-7"}
{"Compound":"Pivampicillin","CAS":"33817-20-8","CAS.Checksum":true,"DTXSID":"DTXSID1045459","Formula":"C22H29N3O6S","All.Compound.Names":"Pivampicillin|33817-20-8|Dtxsid1045459","logHenry":-10.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6653,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.98,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.567,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.6,"MP.Reference":"EPA-CCD-OPERA","MW":463.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.309,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"33817-20-8"}
{"Compound":"Citicoline sodium","CAS":"33818-15-4","CAS.Checksum":true,"DTXSID":"DTXSID4048981","Formula":"C14H25N4NaO11P2","All.Compound.Names":"Citicoline sodium|Dtxsid4048981|33818-15-4","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.287,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.79,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3046,"logWSol.Reference":"EPA-CCD-OPERA","MP":197,"MP.Reference":"EPA-CCD-OPERA","MW":510.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33818-15-4"}
{"Compound":"Temephos","CAS":"3383-96-8","CAS.Checksum":true,"DTXSID":"DTXSID1032484","Formula":"C16H20O6P2S3","All.Compound.Names":"Temephos|Dtxsid1032484","logHenry":-5.439,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.958,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.72,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.047,"logWSol.Reference":"EPA-CCD-OPERA","MP":30,"MP.Reference":"EPA-CCD-OPERA","MW":466.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3383-96-8"}
{"Compound":"Octadecane, 1-chloro-","CAS":"3386-33-2","CAS.Checksum":true,"DTXSID":"DTXSID3027536","Formula":"C18H37Cl","All.Compound.Names":"Octadecane, 1-chloro-|Octadecyl chloride|Dtxsid3027536","logHenry":-4.874,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.233,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5873,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.207,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.31,"MP.Reference":"EPA-CCD-OPERA","MW":288.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3386-33-2"}
{"Compound":"3,3'-(ethylenedioxy)dipropiononitrile","CAS":"3386-87-6","CAS.Checksum":true,"DTXSID":"DTXSID0044656","Formula":"C8H12N2O2","All.Compound.Names":"3,3'-(ethylenedioxy)dipropiononitrile|Dtxsid0044656","logHenry":-6.524,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3239,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.397,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2457,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.437,"MP.Reference":"EPA-CCD-OPERA","MW":168.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3386-87-6"}
{"Compound":"Beta-(3,4-epoxycyclohexyl)ethyltrimethoxysilane","CAS":"3388-04-3","CAS.Checksum":true,"DTXSID":"DTXSID1043910","Formula":"C11H22O4Si","All.Compound.Names":"Beta-(3,4-epoxycyclohexyl)ethyltrimethoxysilane|Dtxsid1043910","logHenry":-6.15,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.589,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.495,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.698,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.65,"MP.Reference":"EPA-CCD-OPERA","MW":246.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3388-04-3"}
{"Compound":"Carbutamide","CAS":"339-43-5","CAS.Checksum":true,"DTXSID":"DTXSID8022741","Formula":"C11H17N3O3S","All.Compound.Names":"Carbutamide|Dtxsid8022741|339-43-5","logHenry":-9.866,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.009,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.223,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.6,"MP.Reference":"EPA-CCD-OPERA","MW":271.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"339-43-5"}
{"Compound":"1-octen-3-ol","CAS":"3391-86-4","CAS.Checksum":true,"DTXSID":"DTXSID3035214","Formula":"C8H16O","All.Compound.Names":"1-octen-3-ol|Dtxsid3035214|3391-86-4","logHenry":-4.537,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.381,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.278,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.839,"logWSol.Reference":"EPA-CCD-OPERA","MP":-52.71,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3391-86-4"}
{"Compound":"Methyl 5-chloro-o-anisate","CAS":"33924-48-0","CAS.Checksum":true,"DTXSID":"DTXSID8057720","Formula":"C9H9ClO3","All.Compound.Names":"Methyl 5-chloro-o-anisate|Dtxsid8057720","logHenry":-6.011,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.047,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.72,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.055,"logWSol.Reference":"EPA-CCD-OPERA","MP":51,"MP.Reference":"EPA-CCD-OPERA","MW":200.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33924-48-0"}
{"Compound":"Codlelure","CAS":"33956-49-9","CAS.Checksum":true,"DTXSID":"DTXSID1035288","Formula":"C12H22O","All.Compound.Names":"Codlelure|(8e,10e)-8,10-dodecadien-1-ol|Dtxsid1035288|33956-49-9","logHenry":-4.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.025,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.454,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.85,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.82,"MP.Reference":"EPA-CCD-OPERA","MW":182.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33956-49-9"}
{"Compound":"2-chloro-4,6-diamino-1,3,5-triazine","CAS":"3397-62-4","CAS.Checksum":true,"DTXSID":"DTXSID1037806","Formula":"C3H4ClN5","All.Compound.Names":"2-chloro-4,6-diamino-1,3,5-triazine|6-chloro-1,3,5-triazine-2,4-diamine|Dtxsid1037806|3397-62-4","logHenry":-6.951,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4129,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.651,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.381,"logWSol.Reference":"EPA-CCD-OPERA","MP":244.9,"MP.Reference":"EPA-CCD-OPERA","MW":145.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3397-62-4"}
{"Compound":"Dimethyl trans-cyclohexane-1,4-dicarboxylate","CAS":"3399-22-2","CAS.Checksum":true,"DTXSID":"DTXSID1029255","Formula":"C10H16O4","All.Compound.Names":"Dimethyl trans-cyclohexane-1,4-dicarboxylate|Dtxsid1029255","logHenry":-5.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.551,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.281,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.006,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.92,"MP.Reference":"EPA-CCD-OPERA","MW":200.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3399-22-2"}
{"Compound":"Oxaceprol","CAS":"33996-33-7","CAS.Checksum":true,"DTXSID":"DTXSID2046410","Formula":"C7H11NO4","All.Compound.Names":"Oxaceprol|Dtxsid2046410|33996-33-7","logHenry":-9.24,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.667,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.512,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.153,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.1,"MP.Reference":"EPA-CCD-OPERA","MW":173.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.03","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33996-33-7"}
{"Compound":"Etiracetam","CAS":"33996-58-6","CAS.Checksum":true,"DTXSID":"DTXSID5046510","Formula":"C8H14N2O2","All.Compound.Names":"Etiracetam|Dtxsid5046510|33996-58-6","logHenry":-8.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8181,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.882,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.261,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.1,"MP.Reference":"EPA-CCD-OPERA","MW":170.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33996-58-6"}
{"Compound":"Mecloqualone","CAS":"340-57-8","CAS.Checksum":true,"DTXSID":"DTXSID7048875","Formula":"C15H11ClN2O","All.Compound.Names":"Mecloqualone|Dtxsid7048875|340-57-8","logHenry":-7.677,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.759,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.612,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.058,"logWSol.Reference":"EPA-CCD-OPERA","MP":127,"MP.Reference":"EPA-CCD-OPERA","MW":270.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"340-57-8"}
{"Compound":"Auranofin","CAS":"34031-32-8","CAS.Checksum":true,"DTXSID":"DTXSID4020115","Formula":"C20H34AuO9PS","All.Compound.Names":"Auranofin","MW":678.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34031-32-8"}
{"Compound":"3-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol","CAS":"3407-42-9","CAS.Checksum":true,"DTXSID":"DTXSID5044817","Formula":"C16H28O","All.Compound.Names":"3-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol|Isobornyl cyclohexanol|Dtxsid5044817|3407-42-9","logHenry":-4.72,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.182,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.281,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.217,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.4,"MP.Reference":"EPA-CCD-OPERA","MW":236.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3407-42-9"}
{"Compound":"Clocortolone pivalate","CAS":"34097-16-0","CAS.Checksum":true,"DTXSID":"DTXSID0045460","Formula":"C27H36ClFO5","All.Compound.Names":"Clocortolone pivalate|Dtxsid0045460|34097-16-0","logHenry":-10.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.185,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.089,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.171,"logWSol.Reference":"EPA-CCD-OPERA","MP":224.8,"MP.Reference":"EPA-CCD-OPERA","MW":495,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34097-16-0"}
{"Compound":"Orphenadrine hydrochloride","CAS":"341-69-5","CAS.Checksum":true,"DTXSID":"DTXSID5025815","Formula":"C18H24ClNO","All.Compound.Names":"Orphenadrine hydrochloride|Dtxsid5025815|341-69-5","logHenry":-5.188,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7146,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.253,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.557,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.7,"MP.Reference":"EPA-CCD-OPERA","MW":305.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"341-69-5"}
{"Compound":"Sunitinib malate","CAS":"341031-54-7","CAS.Checksum":true,"DTXSID":"DTXSID4046492","Formula":"C26H33FN4O7","All.Compound.Names":"Sunitinib malate|Dtxsid4046492|341031-54-7","logHenry":-9.875,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7495,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.676,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.155,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.3,"MP.Reference":"EPA-CCD-OPERA","MW":532.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"341031-54-7"}
{"Compound":"Acecainide hydrochloride","CAS":"34118-92-8","CAS.Checksum":true,"DTXSID":"DTXSID1045748","Formula":"C15H24ClN3O2","All.Compound.Names":"Acecainide hydrochloride|Dtxsid1045748|34118-92-8","logHenry":-10.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.05712,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.545,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.1,"MP.Reference":"EPA-CCD-OPERA","MW":313.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34118-92-8"}
{"Compound":"N,n'-dibenzylethane-1,2-diamine dihydrochloride","CAS":"3412-76-8","CAS.Checksum":true,"DTXSID":"DTXSID0046563","Formula":"C16H22Cl2N2","All.Compound.Names":"N,n'-dibenzylethane-1,2-diamine dihydrochloride|1,2-ethanediamine, n1,n2-bis(phenylmethyl)-, hydrochloride (1:2)|Dtxsid0046563|3412-76-8","logHenry":-5.636,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6778,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.305,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.789,"logWSol.Reference":"EPA-CCD-OPERA","MP":161,"MP.Reference":"EPA-CCD-OPERA","MW":313.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3412-76-8"}
{"Compound":"Mefexamide hydrochloride","CAS":"3413-64-7","CAS.Checksum":true,"DTXSID":"DTXSID2045862","Formula":"C15H25ClN2O3","All.Compound.Names":"Mefexamide hydrochloride|Dtxsid2045862|3413-64-7","logHenry":-9.274,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3769,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.51,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.641,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.3,"MP.Reference":"EPA-CCD-OPERA","MW":316.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3413-64-7"}
{"Compound":"Trimebutine maleate","CAS":"34140-59-5","CAS.Checksum":true,"DTXSID":"DTXSID5046017","Formula":"C26H33NO9","All.Compound.Names":"Trimebutine maleate|Dtxsid5046017|34140-59-5","logHenry":-7.26,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6644,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.86,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.231,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.3,"MP.Reference":"EPA-CCD-OPERA","MW":503.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34140-59-5"}
{"Compound":"Lidoflazine","CAS":"3416-26-0","CAS.Checksum":true,"DTXSID":"DTXSID6045377","Formula":"C30H35F2N3O","All.Compound.Names":"Lidoflazine|Dtxsid6045377|3416-26-0","logHenry":-7.964,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.601,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.589,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.682,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.7,"MP.Reference":"EPA-CCD-OPERA","MW":491.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3416-26-0"}
{"Compound":"Fipexide hydrochloride","CAS":"34161-23-4","CAS.Checksum":true,"DTXSID":"DTXSID6047446","Formula":"C20H22Cl2N2O4","All.Compound.Names":"Fipexide hydrochloride|Dtxsid6047446|34161-23-4","logHenry":-7.368,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.554,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.663,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.7,"MP.Reference":"EPA-CCD-OPERA","MW":425.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34161-23-4"}
{"Compound":"2-hydrazino-4-phenylthiazole","CAS":"34176-52-8","CAS.Checksum":true,"DTXSID":"DTXSID8020707","Formula":"C9H9N3S","All.Compound.Names":"2-hydrazino-4-phenylthiazole|Dtxsid8020707|34176-52-8","logHenry":-6.588,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.007,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.109,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.022,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.4,"MP.Reference":"EPA-CCD-OPERA","MW":191.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34176-52-8"}
{"Compound":"Floxacillin sodium hydrate","CAS":"34214-51-2","CAS.Checksum":true,"DTXSID":"DTXSID1046477","Formula":"C19H18ClFN3NaO6S","All.Compound.Names":"Floxacillin sodium hydrate|Dtxsid1046477|34214-51-2","logHenry":-10.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.518,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.122,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.201,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.8,"MP.Reference":"EPA-CCD-OPERA","MW":493.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34214-51-2"}
{"Compound":"O,p'-dde","CAS":"3424-82-6","CAS.Checksum":true,"DTXSID":"DTXSID4022313","Formula":"C14H8Cl4","All.Compound.Names":"O,p'-dde|Dtxsid4022313","logHenry":-4.473,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.227,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.215,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.364,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.94,"MP.Reference":"EPA-CCD-OPERA","MW":318,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3424-82-6"}
{"Compound":"1-ethyl-3-methylimidazolium ethyl sulfate","CAS":"342573-75-5","CAS.Checksum":true,"DTXSID":"DTXSID6049274","Formula":"C8H16N2O4S","All.Compound.Names":"1-ethyl-3-methylimidazolium ethyl sulfate|Dtxsid6049274|342573-75-5","logHenry":-2.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6753,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.471,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01646,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.4,"MP.Reference":"EPA-CCD-OPERA","MW":236.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"342573-75-5"}
{"Compound":"Saralasin","CAS":"34273-10-4","CAS.Checksum":true,"DTXSID":"DTXSID2046549","Formula":"C42H65N13O10","All.Compound.Names":"Saralasin|Dtxsid2046549|34273-10-4","logHenry":-10.6,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7586,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.868,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.681,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.3,"MP.Reference":"EPA-CCD-OPERA","MW":912.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34273-10-4"}
{"Compound":"1-butyl-3-methylimidazolium methanesulfonate","CAS":"342789-81-5","CAS.Checksum":true,"DTXSID":"DTXSID9047912","Formula":"C9H18N2O3S","All.Compound.Names":"1-butyl-3-methylimidazolium methanesulfonate|Dtxsid9047912|342789-81-5","logHenry":-2.096,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.564,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.445,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.9,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"342789-81-5"}
{"Compound":"Dobutamine","CAS":"34368-04-2","CAS.Checksum":true,"DTXSID":"DTXSID3022958","Formula":"C18H23NO3","All.Compound.Names":"Dobutamine|Dl-dobutamine|Dtxsid3022958|34368-04-2","logHenry":-8.819,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.012,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.391,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.976,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.2,"MP.Reference":"EPA-CCD-OPERA","MW":301.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34368-04-2"}
{"Compound":"Acebutolol hydrochloride","CAS":"34381-68-5","CAS.Checksum":true,"DTXSID":"DTXSID5045461","Formula":"C18H29ClN2O4","All.Compound.Names":"Acebutolol hydrochloride|Dtxsid5045461|34381-68-5","logHenry":-9.059,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.249,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.558,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.199,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.6,"MP.Reference":"EPA-CCD-OPERA","MW":372.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.59","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34381-68-5"}
{"Compound":"1-butyl-4-methylpyridinium tetrafluoroborate","CAS":"343952-33-0","CAS.Checksum":true,"DTXSID":"DTXSID1049275","Formula":"C10H16BF4N","All.Compound.Names":"1-butyl-4-methylpyridinium tetrafluoroborate|Dtxsid1049275|343952-33-0","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6081,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.885,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.8,"MP.Reference":"EPA-CCD-OPERA","MW":237,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"343952-33-0"}
{"Compound":"Bromopentafluorobenzene","CAS":"344-04-7","CAS.Checksum":true,"DTXSID":"DTXSID3047136","Formula":"C6BrF5","All.Compound.Names":"Bromopentafluorobenzene|Dtxsid3047136","logHenry":-1.183,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.493,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.414,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.035,"logWSol.Reference":"EPA-CCD-OPERA","MP":-30.99,"MP.Reference":"EPA-CCD-OPERA","MW":247,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"344-04-7"}
{"Compound":"5,6,7,8-tetrahydroquinoxaline","CAS":"34413-35-9","CAS.Checksum":true,"DTXSID":"DTXSID4047678","Formula":"C8H10N2","All.Compound.Names":"5,6,7,8-tetrahydroquinoxaline|Dtxsid4047678|34413-35-9","logHenry":-5.713,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.329,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.729,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2632,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.7,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34413-35-9"}
{"Compound":"Tert-butylperoxy 2-ethylhexyl carbonate","CAS":"34443-12-4","CAS.Checksum":true,"DTXSID":"DTXSID2044921","Formula":"C13H26O4","All.Compound.Names":"Tert-butylperoxy 2-ethylhexyl carbonate|Oo-tert-butyl o-(2-ethylhexyl) peroxycarbonate|Dtxsid2044921","logHenry":-3.852,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.728,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.606,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.474,"logWSol.Reference":"EPA-CCD-OPERA","MP":-47.78,"MP.Reference":"EPA-CCD-OPERA","MW":246.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34443-12-4"}
{"Compound":"1-(2-hydroxyethyl)pyrrolidin-2-one","CAS":"3445-11-2","CAS.Checksum":true,"DTXSID":"DTXSID7044922","Formula":"C6H11NO2","All.Compound.Names":"1-(2-hydroxyethyl)pyrrolidin-2-one|1-(2-hydroxyethyl)-2-pyrrolidone|Dtxsid7044922","logHenry":-7.735,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7006,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.18,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9237,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.03,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.1559","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"1,0.1263,1","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"3445-11-2"}
{"Compound":"Butyl (2s)-2-hydroxypropanoate","CAS":"34451-19-9","CAS.Checksum":true,"DTXSID":"DTXSID4042335","Formula":"C7H14O3","All.Compound.Names":"Butyl (2s)-2-hydroxypropanoate|Dtxsid4042335|34451-19-9","logHenry":-6.612,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.672,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.273,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5629,"logWSol.Reference":"EPA-CCD-OPERA","MP":-27.91,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34451-19-9"}
{"Compound":"4-(methylthio)benzaldehyde","CAS":"3446-89-7","CAS.Checksum":true,"DTXSID":"DTXSID0033047","Formula":"C8H8OS","All.Compound.Names":"4-(methylthio)benzaldehyde|Dtxsid0033047","logHenry":-5.135,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.429,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.449,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.726,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.5,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3446-89-7"}
{"Compound":"Triisobutylmethylphosphonium tosylate","CAS":"344774-05-6","CAS.Checksum":true,"DTXSID":"DTXSID3047899","Formula":"C20H37O3PS","All.Compound.Names":"Triisobutylmethylphosphonium tosylate","logHenry":-1.361,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8148,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.442,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.292,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.3,"MP.Reference":"EPA-CCD-OPERA","MW":388.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"344774-05-6"}
{"Compound":"1-butyl-3-methylimidazolium thiocyanate","CAS":"344790-87-0","CAS.Checksum":true,"DTXSID":"DTXSID9047914","Formula":"C9H15N3S","All.Compound.Names":"1-butyl-3-methylimidazolium thiocyanate|Dtxsid9047914|344790-87-0","logHenry":-2.096,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.382,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.627,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.34,"MP.Reference":"EPA-CCD-OPERA","MW":197.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"344790-87-0"}
{"Compound":"Ssr69071","CAS":"344930-95-6","CAS.Checksum":true,"DTXSID":"DTXSID1047368","Formula":"C27H32N4O7S","All.Compound.Names":"Ssr69071|Dtxsid1047368|344930-95-6","logHenry":-8.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.018,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.658,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.065,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.5,"MP.Reference":"EPA-CCD-OPERA","MW":556.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"344930-95-6"}
{"Compound":"3,5,5-trimethyl-1-hexanol","CAS":"3452-97-9","CAS.Checksum":true,"DTXSID":"DTXSID7029661","Formula":"C9H20O","All.Compound.Names":"3,5,5-trimethyl-1-hexanol|Dtxsid7029661|3452-97-9","logHenry":-4.394,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.071,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.792,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.853,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.204,"MP.Reference":"EPA-CCD-OPERA","MW":144.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3452-97-9"}
{"Compound":"6-methoxy-2-naphthalaldehyde","CAS":"3453-33-6","CAS.Checksum":true,"DTXSID":"DTXSID3057721","Formula":"C12H10O2","All.Compound.Names":"6-methoxy-2-naphthalaldehyde|Dtxsid3057721","logHenry":-3.986,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.787,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.464,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.47,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.06,"MP.Reference":"EPA-CCD-OPERA","MW":186.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3453-33-6"}
{"Compound":"3,5-diethyl-1-phenyl-2-propyl-1,2-dihydropyridine","CAS":"34562-31-7","CAS.Checksum":true,"DTXSID":"DTXSID2044923","Formula":"C18H25N","All.Compound.Names":"3,5-diethyl-1-phenyl-2-propyl-1,2-dihydropyridine|Dtxsid2044923|34562-31-7","logHenry":-4.291,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.249,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.274,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.907,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.28,"MP.Reference":"EPA-CCD-OPERA","MW":255.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34562-31-7"}
{"Compound":"Ketotifen","CAS":"34580-13-7","CAS.Checksum":true,"DTXSID":"DTXSID7023190","Formula":"C19H19NOS","All.Compound.Names":"Ketotifen|34580-13-7","logHenry":-5.327,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.006,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.44,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.087,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.14,"MP.Reference":"EPA-CCD-OPERA","MW":309.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.6,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"34580-13-7"}
{"Compound":"Glymidine sodium","CAS":"3459-20-9","CAS.Checksum":true,"DTXSID":"DTXSID2057601","Formula":"C13H14N3NaO4S","All.Compound.Names":"Glymidine sodium|Dtxsid2057601|3459-20-9","logHenry":-6.153,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2876,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.55,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.221,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.1,"MP.Reference":"EPA-CCD-OPERA","MW":331.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3459-20-9"}
{"Compound":"L-thioproline","CAS":"34592-47-7","CAS.Checksum":true,"DTXSID":"DTXSID3046536","Formula":"C4H7NO2S","All.Compound.Names":"L-thioproline|Dtxsid3046536|34592-47-7","logHenry":-7.091,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6543,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.252,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9039,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.4,"MP.Reference":"EPA-CCD-OPERA","MW":133.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.89","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34592-47-7"}
{"Compound":"1-butyl-1-methylpyrrolidinium tetrafluoroborate","CAS":"345984-11-4","CAS.Checksum":true,"DTXSID":"DTXSID6049276","Formula":"C9H20BF4N","All.Compound.Names":"1-butyl-1-methylpyrrolidinium tetrafluoroborate|Dtxsid6049276|345984-11-4","logHenry":-1.157,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7165,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.439,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.356,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.86,"MP.Reference":"EPA-CCD-OPERA","MW":229.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"345984-11-4"}
{"Compound":"Polythiazide","CAS":"346-18-9","CAS.Checksum":true,"DTXSID":"DTXSID6025939","Formula":"C11H13ClF3N3O4S3","All.Compound.Names":"Polythiazide|Dtxsid6025939|346-18-9","logHenry":-10.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.9,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.311,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.505,"logWSol.Reference":"EPA-CCD-OPERA","MP":214,"MP.Reference":"EPA-CCD-OPERA","MW":439.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"346-18-9"}
{"Compound":"Prothiofos","CAS":"34643-46-4","CAS.Checksum":true,"DTXSID":"DTXSID8042349","Formula":"C11H15Cl2O2PS2","All.Compound.Names":"Prothiofos|Dtxsid8042349","logHenry":-5.015,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.67,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.722,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.689,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.84,"MP.Reference":"EPA-CCD-OPERA","MW":345.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34643-46-4"}
{"Compound":"Fenclofenac","CAS":"34645-84-6","CAS.Checksum":true,"DTXSID":"DTXSID6048830","Formula":"C14H10Cl2O3","All.Compound.Names":"Fenclofenac|Dtxsid6048830|34645-84-6","logHenry":-9.386,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.8,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.906,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.848,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.1,"MP.Reference":"EPA-CCD-OPERA","MW":297.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34645-84-6"}
{"Compound":"1h-isoindole-1,3(2h)-diimine","CAS":"3468-11-9","CAS.Checksum":true,"DTXSID":"DTXSID0044658","Formula":"C8H7N3","All.Compound.Names":"1h-isoindole-1,3(2h)-diimine|Dtxsid0044658|3468-11-9","logHenry":-8.138,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7018,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.067,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.961,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.5,"MP.Reference":"EPA-CCD-OPERA","MW":145.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.11","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3468-11-9"}
{"Compound":"Butoxycarboxim","CAS":"34681-23-7","CAS.Checksum":true,"DTXSID":"DTXSID0041698","Formula":"C7H14N2O4S","All.Compound.Names":"Butoxycarboxim|Dtxsid0041698|34681-23-7","logHenry":-9.286,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1149,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.86,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.03391,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.48,"MP.Reference":"EPA-CCD-OPERA","MW":222.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34681-23-7"}
{"Compound":"D-xylo-5-hexulosonic acid, calcium salt","CAS":"3470-36-8","CAS.Checksum":true,"DTXSID":"DTXSID2045078","Formula":"C12H18CaO14","All.Compound.Names":"D-xylo-5-hexulosonic acid, calcium salt|Calcium 5-ketogluconate|Dtxsid2045078|3470-36-8","logHenry":-9.638,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.51,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.43,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6287,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.3,"MP.Reference":"EPA-CCD-OPERA","MW":426.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3470-36-8"}
{"Compound":"3'-chloropropiophenone","CAS":"34841-35-5","CAS.Checksum":true,"DTXSID":"DTXSID1049277","Formula":"C9H9ClO","All.Compound.Names":"3'-chloropropiophenone|Dtxsid1049277","logHenry":-5.486,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.4,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.414,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.368,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.23,"MP.Reference":"EPA-CCD-OPERA","MW":168.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34841-35-5"}
{"Compound":"Cyclacillin","CAS":"3485-14-1","CAS.Checksum":true,"DTXSID":"DTXSID9022861","Formula":"C15H23N3O4S","All.Compound.Names":"Cyclacillin|Dtxsid9022861|3485-14-1","logHenry":-10.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.308,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.021,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.606,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.5,"MP.Reference":"EPA-CCD-OPERA","MW":341.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3485-14-1"}
{"Compound":"Clidinium bromide","CAS":"3485-62-9","CAS.Checksum":true,"DTXSID":"DTXSID7022835","Formula":"C22H26BrNO3","All.Compound.Names":"Clidinium bromide|Dtxsid7022835|3485-62-9","logHenry":-8.604,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.23,"logP.Reference":"EPA-CCD-OPERA","logPwa":13.05,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.224,"logWSol.Reference":"EPA-CCD-OPERA","MP":240.5,"MP.Reference":"EPA-CCD-OPERA","MW":432.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3485-62-9"}
{"Compound":"Cyclohexanemethanol, 4-methyl-","CAS":"34885-03-5","CAS.Checksum":true,"DTXSID":"DTXSID9041813","Formula":"C8H16O","All.Compound.Names":"Cyclohexanemethanol, 4-methyl-|4-methylcyclohexanemethanol|Dtxsid9041813|34885-03-5","logHenry":-4.855,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.345,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.558,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.626,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.627,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34885-03-5"}
{"Compound":"Dl-methionine methylsulfonium chloride","CAS":"3493-12-7","CAS.Checksum":true,"DTXSID":"DTXSID6046713","Formula":"C6H14ClNO2S","All.Compound.Names":"Dl-methionine methylsulfonium chloride|Dtxsid6046713|3493-12-7","logHenry":-7.926,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.766,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.356,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.571,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.3,"MP.Reference":"EPA-CCD-OPERA","MW":199.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3493-12-7"}
{"Compound":"Pharmagsid_47263","CAS":"349495-42-7","CAS.Checksum":true,"DTXSID":"DTXSID3047263","Formula":"C15H16N4O2","All.Compound.Names":"Pharmagsid_47263|Dtxsid3047263|349495-42-7","logHenry":-9.598,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.716,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.462,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.353,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.2,"MP.Reference":"EPA-CCD-OPERA","MW":284.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.66","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"349495-42-7"}
{"Compound":"3-acetylpyridine","CAS":"350-03-8","CAS.Checksum":true,"DTXSID":"DTXSID7044421","Formula":"C7H7NO","All.Compound.Names":"3-acetylpyridine|Dtxsid7044421|350-03-8","logHenry":-7.653,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4314,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.875,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1039,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.38,"MP.Reference":"EPA-CCD-OPERA","MW":121.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"350-03-8"}
{"Compound":"Sulbentine","CAS":"350-12-9","CAS.Checksum":true,"DTXSID":"DTXSID7046257","Formula":"C17H18N2S2","All.Compound.Names":"Sulbentine|Dtxsid7046257|350-12-9","logHenry":-8.144,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.73,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.605,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.729,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.5,"MP.Reference":"EPA-CCD-OPERA","MW":314.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"350-12-9"}
{"Compound":"2-chloro-1-fluoro-4-nitrobenzene","CAS":"350-30-1","CAS.Checksum":true,"DTXSID":"DTXSID6049278","Formula":"C6H3ClFNO2","All.Compound.Names":"2-chloro-1-fluoro-4-nitrobenzene|Dtxsid6049278","logHenry":-4.371,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.695,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.615,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.398,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.12,"MP.Reference":"EPA-CCD-OPERA","MW":175.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"350-30-1"}
{"Compound":"1-ethylpyridinium tetrafluoroborate","CAS":"350-48-1","CAS.Checksum":true,"DTXSID":"DTXSID1049279","Formula":"C7H10BF4N","All.Compound.Names":"1-ethylpyridinium tetrafluoroborate|Dtxsid1049279|350-48-1","logHenry":-2.455,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7112,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.198,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.21,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.61,"MP.Reference":"EPA-CCD-OPERA","MW":195,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"350-48-1"}
{"Compound":"Timepidium bromide","CAS":"35035-05-3","CAS.Checksum":true,"DTXSID":"DTXSID4023672","Formula":"C17H22BrNOS2","All.Compound.Names":"Timepidium bromide|Dtxsid4023672|35035-05-3","logHenry":-4.984,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.086,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.4,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.157,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.1,"MP.Reference":"EPA-CCD-OPERA","MW":400.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35035-05-3"}
{"Compound":"Metribuzin-da","CAS":"35045-02-4","CAS.Checksum":true,"DTXSID":"DTXSID0052839","Formula":"C8H13N3OS","All.Compound.Names":"Metribuzin-da|Dtxsid0052839|35045-02-4","logHenry":-7.688,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.764,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.009,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.354,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.9,"MP.Reference":"EPA-CCD-OPERA","MW":199.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35045-02-4"}
{"Compound":"1-butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide","CAS":"350493-08-2","CAS.Checksum":true,"DTXSID":"DTXSID7047930","Formula":"C11H17F6N3O4S2","All.Compound.Names":"1-butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide","MW":433.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"350493-08-2"}
{"Compound":"Carbinoxamine maleate","CAS":"3505-38-2","CAS.Checksum":true,"DTXSID":"DTXSID0047828","Formula":"C20H23ClN2O5","All.Compound.Names":"Carbinoxamine maleate|Dtxsid0047828|3505-38-2","logHenry":-5.937,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6728,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.735,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.157,"logWSol.Reference":"EPA-CCD-OPERA","MP":151,"MP.Reference":"EPA-CCD-OPERA","MW":406.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3505-38-2"}
{"Compound":"Heptadecane,1-bromo-","CAS":"3508-00-7","CAS.Checksum":true,"DTXSID":"DTXSID0049280","Formula":"C17H35Br","All.Compound.Names":"Heptadecane,1-bromo-|1-bromoheptadecane|Dtxsid0049280","logHenry":-4.873,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.233,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.7092,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.246,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.42,"MP.Reference":"EPA-CCD-OPERA","MW":319.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3508-00-7"}
{"Compound":"N-(2-aminoethyl)-n'-[3-(trimethoxysilyl)propyl]ethane-1,2-diamine","CAS":"35141-30-1","CAS.Checksum":true,"DTXSID":"DTXSID2044422","Formula":"C10H27N3O3Si","All.Compound.Names":"N-(2-aminoethyl)-n'-[3-(trimethoxysilyl)propyl]ethane-1,2-diamine|Dtxsid2044422|35141-30-1","logHenry":-8.763,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5739,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.748,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7281,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.8,"MP.Reference":"EPA-CCD-OPERA","MW":265.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35141-30-1"}
{"Compound":"Diethyl sulfide","CAS":"352-93-2","CAS.Checksum":true,"DTXSID":"DTXSID5027146","Formula":"C4H10S","All.Compound.Names":"Diethyl sulfide|Dtxsid5027146","logHenry":-2.773,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.951,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.376,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.407,"logWSol.Reference":"EPA-CCD-OPERA","MP":-104.4,"MP.Reference":"EPA-CCD-OPERA","MW":90.18,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"352-93-2"}
{"Compound":"C.i. acid red 52","CAS":"3520-42-1","CAS.Checksum":true,"DTXSID":"DTXSID7021235","Formula":"C27H29N2NaO7S2","All.Compound.Names":"C.i. acid red 52|3520-42-1","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.51,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.203,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.581,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.1,"MP.Reference":"EPA-CCD-OPERA","MW":580.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3520-42-1"}
{"Compound":"Erythromycin estolate","CAS":"3521-62-8","CAS.Checksum":true,"DTXSID":"DTXSID1037224","Formula":"C52H97NO18S","All.Compound.Names":"Erythromycin estolate|Dtxsid1037224|3521-62-8","logHenry":-9.995,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8638,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.67,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.254,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.1,"MP.Reference":"EPA-CCD-OPERA","MW":1056,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3521-62-8"}
{"Compound":"Ipriflavone","CAS":"35212-22-7","CAS.Checksum":true,"DTXSID":"DTXSID5040679","Formula":"C18H16O3","All.Compound.Names":"Ipriflavone|Dtxsid5040679","logHenry":-7.497,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.413,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.476,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.888,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.8,"MP.Reference":"EPA-CCD-OPERA","MW":280.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35212-22-7"}
{"Compound":"Pentaerythritol triacrylate","CAS":"3524-68-3","CAS.Checksum":true,"DTXSID":"DTXSID2025842","Formula":"C14H18O7","All.Compound.Names":"Pentaerythritol triacrylate|Dtxsid2025842|3524-68-3","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.12,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.687,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.294,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.52,"MP.Reference":"EPA-CCD-OPERA","MW":298.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3524-68-3"}
{"Compound":"Pyrazineethanethiol","CAS":"35250-53-4","CAS.Checksum":true,"DTXSID":"DTXSID2025977","Formula":"C6H8N2S","All.Compound.Names":"Pyrazineethanethiol|Dtxsid2025977|35250-53-4","logHenry":-6.112,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6742,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.649,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7312,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.1,"MP.Reference":"EPA-CCD-OPERA","MW":140.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.74","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35250-53-4"}
{"Compound":"Cp-612372","CAS":"353280-07-6","CAS.Checksum":true,"DTXSID":"DTXSID1047281","Formula":"C22H20N4O4","All.Compound.Names":"Cp-612372|Dtxsid1047281|353280-07-6","logHenry":-9.006,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.963,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.655,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.986,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.5,"MP.Reference":"EPA-CCD-OPERA","MW":404.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"353280-07-6"}
{"Compound":"1,1,1-trichloro-2,2,2-trifluoroethane","CAS":"354-58-5","CAS.Checksum":true,"DTXSID":"DTXSID5027148","Formula":"C2Cl3F3","All.Compound.Names":"1,1,1-trichloro-2,2,2-trifluoroethane|Dtxsid5027148","logHenry":-0.8088,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.624,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3295,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.211,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.65,"MP.Reference":"EPA-CCD-OPERA","MW":187.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"354-58-5"}
{"Compound":"Sulprofos","CAS":"35400-43-2","CAS.Checksum":true,"DTXSID":"DTXSID8032675","Formula":"C12H19O2PS3","All.Compound.Names":"Sulprofos|Dtxsid8032675","logHenry":-5.212,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.48,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.987,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.019,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.98,"MP.Reference":"EPA-CCD-OPERA","MW":322.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35400-43-2"}
{"Compound":"Dichloro(dioctyl)stannane","CAS":"3542-36-7","CAS.Checksum":true,"DTXSID":"DTXSID2029662","Formula":"C16H34Cl2Sn","All.Compound.Names":"Dichloro(dioctyl)stannane","MW":416.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3542-36-7"}
{"Compound":"Sodium decanehydroxamate","CAS":"35440-53-0","CAS.Checksum":true,"DTXSID":"DTXSID5048766","Formula":"C10H20NNaO2","All.Compound.Names":"Sodium decanehydroxamate|Dtxsid5048766","logHenry":-8.708,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.04681,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.002,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.831,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.32,"MP.Reference":"EPA-CCD-OPERA","MW":209.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35440-53-0"}
{"Compound":"Midecamycin","CAS":"35457-80-8","CAS.Checksum":true,"DTXSID":"DTXSID5045463","Formula":"C41H67NO15","All.Compound.Names":"Midecamycin|Dtxsid5045463|35457-80-8","logHenry":-10.1,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.847,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.739,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.244,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.2,"MP.Reference":"EPA-CCD-OPERA","MW":814,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.76","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35457-80-8"}
{"Compound":"Pyrvinium pamoate","CAS":"3546-41-6","CAS.Checksum":true,"DTXSID":"DTXSID4023545","Formula":"C75H70N6O6","All.Compound.Names":"Pyrvinium pamoate|3546-41-6","logHenry":-5.82,"logHenry.Reference":"OPERA29","logP":5.57,"logP.Reference":"OPERA29","logWSol":-3.07,"logWSol.Reference":"OPERA29","MP":108,"MP.Reference":"OPERA29","MW":1151,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3546-41-6"}
{"Compound":"2-hydroxyethyl octyl sulfide","CAS":"3547-33-9","CAS.Checksum":true,"DTXSID":"DTXSID6032516","Formula":"C10H22OS","All.Compound.Names":"2-hydroxyethyl octyl sulfide|Dtxsid6032516|3547-33-9","logHenry":-4.883,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.643,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.019,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.446,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.06469,"MP.Reference":"EPA-CCD-OPERA","MW":190.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3547-33-9"}
{"Compound":"Perflexane","CAS":"355-42-0","CAS.Checksum":true,"DTXSID":"DTXSID7046548","Formula":"C6F14","All.Compound.Names":"Perflexane|Perfluorohexane|Dtxsid7046548","logHenry":-1.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.755,"logP.Reference":"EPA-CCD-OPERA","logPwa":-2.796,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.452,"logWSol.Reference":"EPA-CCD-OPERA","MP":-87.18,"MP.Reference":"EPA-CCD-OPERA","MW":338,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"355-42-0"}
{"Compound":"Carbenicillin indanyl","CAS":"35531-88-5","CAS.Checksum":true,"DTXSID":"DTXSID6048705","Formula":"C26H26N2O6S","All.Compound.Names":"Carbenicillin indanyl|Dtxsid6048705|35531-88-5","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.769,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.933,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.689,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.8,"MP.Reference":"EPA-CCD-OPERA","MW":494.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35531-88-5"}
{"Compound":"Buflomedil hydrochloride","CAS":"35543-24-9","CAS.Checksum":true,"DTXSID":"DTXSID6046977","Formula":"C17H26ClNO4","All.Compound.Names":"Buflomedil hydrochloride|Dtxsid6046977|35543-24-9","logHenry":-6.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4873,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.16,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.135,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.9,"MP.Reference":"EPA-CCD-OPERA","MW":343.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35543-24-9"}
{"Compound":"4,4'-dibromobenzil","CAS":"35578-47-3","CAS.Checksum":true,"DTXSID":"DTXSID2044925","Formula":"C14H8Br2O2","All.Compound.Names":"4,4'-dibromobenzil|Dtxsid2044925","logHenry":-7.294,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.016,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.801,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.781,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.3,"MP.Reference":"EPA-CCD-OPERA","MW":368,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35578-47-3"}
{"Compound":"Fluocinonide","CAS":"356-12-7","CAS.Checksum":true,"DTXSID":"DTXSID8045307","Formula":"C26H32F2O7","All.Compound.Names":"Fluocinonide|Dtxsid8045307|356-12-7","logHenry":-10.92,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.19,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.103,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.775,"logWSol.Reference":"EPA-CCD-OPERA","MP":308.9,"MP.Reference":"EPA-CCD-OPERA","MW":494.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"356-12-7"}
{"Compound":"Viloxazine hydrochloride","CAS":"35604-67-2","CAS.Checksum":true,"DTXSID":"DTXSID8057722","Formula":"C13H20ClNO3","All.Compound.Names":"Viloxazine hydrochloride|Dtxsid8057722|35604-67-2","logHenry":-7.389,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6732,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.985,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.703,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.8,"MP.Reference":"EPA-CCD-OPERA","MW":273.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35604-67-2"}
{"Compound":"Tritiozine","CAS":"35619-65-9","CAS.Checksum":true,"DTXSID":"DTXSID0046195","Formula":"C14H19NO4S","All.Compound.Names":"Tritiozine|Dtxsid0046195|35619-65-9","logHenry":-6.416,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.383,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.443,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.45,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.64,"MP.Reference":"EPA-CCD-OPERA","MW":297.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35619-65-9"}
{"Compound":"Benzbromarone","CAS":"3562-84-3","CAS.Checksum":true,"DTXSID":"DTXSID4022652","Formula":"C17H12Br2O3","All.Compound.Names":"Benzbromarone|Dtxsid4022652|3562-84-3","logHenry":-9.021,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.4,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.166,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.097,"logWSol.Reference":"EPA-CCD-OPERA","MP":151,"MP.Reference":"EPA-CCD-OPERA","MW":424.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3562-84-3"}
{"Compound":"Menbutone","CAS":"3562-99-0","CAS.Checksum":true,"DTXSID":"DTXSID8046240","Formula":"C15H14O4","All.Compound.Names":"Menbutone|Dtxsid8046240|3562-99-0","logHenry":-8.881,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.199,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.434,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.452,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.3,"MP.Reference":"EPA-CCD-OPERA","MW":258.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3562-99-0"}
{"Compound":"Aprofene","CAS":"3563-01-7","CAS.Checksum":true,"DTXSID":"DTXSID8046294","Formula":"C21H27NO2","All.Compound.Names":"Aprofene|Dtxsid8046294|3563-01-7","logHenry":-7.07,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.634,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.115,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.239,"logWSol.Reference":"EPA-CCD-OPERA","MP":106,"MP.Reference":"EPA-CCD-OPERA","MW":325.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3563-01-7"}
{"Compound":"Sulfasuccinamide","CAS":"3563-14-2","CAS.Checksum":true,"DTXSID":"DTXSID5046275","Formula":"C10H12N2O5S","All.Compound.Names":"Sulfasuccinamide|Dtxsid5046275|3563-14-2","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.05699,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.271,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.798,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.1,"MP.Reference":"EPA-CCD-OPERA","MW":272.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3563-14-2"}
{"Compound":"Ponceau 3r","CAS":"3564-09-8","CAS.Checksum":true,"DTXSID":"DTXSID7021231","Formula":"C19H16N2Na2O7S2","All.Compound.Names":"Ponceau 3r|Dtxsid7021231|3564-09-8","logHenry":-8.887,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.178,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.397,"logWSol.Reference":"EPA-CCD-OPERA","MP":229.8,"MP.Reference":"EPA-CCD-OPERA","MW":494.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3564-09-8"}
{"Compound":"N-(9-fluorenylmethoxycarbonyl)-l-leucine","CAS":"35661-60-0","CAS.Checksum":true,"DTXSID":"DTXSID0040751","Formula":"C21H23NO4","All.Compound.Names":"N-(9-fluorenylmethoxycarbonyl)-l-leucine|Dtxsid0040751|35661-60-0","logHenry":-9.007,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.929,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.541,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.728,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.6,"MP.Reference":"EPA-CCD-OPERA","MW":353.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35661-60-0"}
{"Compound":"Glysobuzole","CAS":"3567-08-6","CAS.Checksum":true,"DTXSID":"DTXSID0046276","Formula":"C13H17N3O3S2","All.Compound.Names":"Glysobuzole|Dtxsid0046276|3567-08-6","logHenry":-8.419,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.706,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.16,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.159,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.6,"MP.Reference":"EPA-CCD-OPERA","MW":327.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3567-08-6"}
{"Compound":"N-(3,4-dichlorophenyl)-n'-methylurea","CAS":"3567-62-2","CAS.Checksum":true,"DTXSID":"DTXSID3042180","Formula":"C8H8Cl2N2O","All.Compound.Names":"N-(3,4-dichlorophenyl)-n'-methylurea|Dtxsid3042180|3567-62-2","logHenry":-8.675,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.938,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.438,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.307,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.4,"MP.Reference":"EPA-CCD-OPERA","MW":219.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3567-62-2"}
{"Compound":"Valerenic acid","CAS":"3569-10-6","CAS.Checksum":true,"DTXSID":"DTXSID8034089","Formula":"C15H22O2","All.Compound.Names":"Valerenic acid|Dtxsid8034089|3569-10-6","logHenry":-4.155,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.424,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.871,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.098,"logWSol.Reference":"EPA-CCD-OPERA","MP":105,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3569-10-6"}
{"Compound":"1,2-dibromo-2,4-dicyanobutane","CAS":"35691-65-7","CAS.Checksum":true,"DTXSID":"DTXSID3024944","Formula":"C6H6Br2N2","All.Compound.Names":"1,2-dibromo-2,4-dicyanobutane|Dtxsid3024944","logHenry":-4.983,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.89,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.227,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.063,"logWSol.Reference":"EPA-CCD-OPERA","MP":52,"MP.Reference":"EPA-CCD-OPERA","MW":265.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35691-65-7"}
{"Compound":"Brucine","CAS":"357-57-3","CAS.Checksum":true,"DTXSID":"DTXSID2024662","Formula":"C23H26N2O4","All.Compound.Names":"Brucine|Dtxsid2024662|357-57-3","logHenry":-9.222,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.981,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.7,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.091,"logWSol.Reference":"EPA-CCD-OPERA","MP":178,"MP.Reference":"EPA-CCD-OPERA","MW":394.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"357-57-3"}
{"Compound":"2,2'-sulfanediyldiethanethiol","CAS":"3570-55-6","CAS.Checksum":true,"DTXSID":"DTXSID4044660","Formula":"C4H10S3","All.Compound.Names":"2,2'-sulfanediyldiethanethiol|Dtxsid4044660|3570-55-6","logHenry":-4.523,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.003,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.463,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.932,"logWSol.Reference":"EPA-CCD-OPERA","MP":-33.8,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.68","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3570-55-6"}
{"Compound":"4-(4-(acetyloxy)phenyl)-2-butanone","CAS":"3572-06-3","CAS.Checksum":true,"DTXSID":"DTXSID2035481","Formula":"C12H14O3","All.Compound.Names":"4-(4-(acetyloxy)phenyl)-2-butanone|4-(p-hydroxyphenyl)-2-butanone acetate|Dtxsid2035481|4-[4-(acetyloxy)phenyl]-2-butanone","logHenry":-6.714,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.479,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.573,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.302,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.16,"MP.Reference":"EPA-CCD-OPERA","MW":206.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3572-06-3"}
{"Compound":"Rosaramicin","CAS":"35834-26-5","CAS.Checksum":true,"DTXSID":"DTXSID4046361","Formula":"C31H51NO9","All.Compound.Names":"Rosaramicin|35834-26-5|Dtxsid4046361","logHenry":-11.72,"logHenry.Reference":"OPERA29","logP":2.19,"logP.Reference":"OPERA29","logWSol":-4.27,"logWSol.Reference":"OPERA29","MP":147,"MP.Reference":"OPERA29","MW":581.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.32,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"35834-26-5"}
{"Compound":"Etazolate hydrochloride","CAS":"35838-58-5","CAS.Checksum":true,"DTXSID":"DTXSID4045767","Formula":"C14H20ClN5O2","All.Compound.Names":"Etazolate hydrochloride|Dtxsid4045767|35838-58-5","logHenry":-7.725,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6211,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.799,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.16,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.9,"MP.Reference":"EPA-CCD-OPERA","MW":325.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35838-58-5"}
{"Compound":"(6z)-non-6-en-1-ol","CAS":"35854-86-5","CAS.Checksum":true,"DTXSID":"DTXSID0047587","Formula":"C9H18O","All.Compound.Names":"(6z)-non-6-en-1-ol|Dtxsid0047587|35854-86-5","logHenry":-4.614,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.128,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.467,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.521,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.594,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35854-86-5"}
{"Compound":"1-methyl-3-phenoxybenzene","CAS":"3586-14-9","CAS.Checksum":true,"DTXSID":"DTXSID8027537","Formula":"C13H12O","All.Compound.Names":"1-methyl-3-phenoxybenzene|Dtxsid8027537","logHenry":-3.937,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.862,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.042,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.238,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.17,"MP.Reference":"EPA-CCD-OPERA","MW":184.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3586-14-9"}
{"Compound":"Myriocin","CAS":"35891-70-4","CAS.Checksum":true,"DTXSID":"DTXSID9046360","Formula":"C21H39NO6","All.Compound.Names":"Myriocin|(+)-myriocin|Dtxsid9046360|35891-70-4","logHenry":-8.083,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.27,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.218,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.488,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.5,"MP.Reference":"EPA-CCD-OPERA","MW":401.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35891-70-4"}
{"Compound":"Dilazep","CAS":"35898-87-4","CAS.Checksum":true,"DTXSID":"DTXSID9045425","Formula":"C31H44N2O10","All.Compound.Names":"Dilazep|Dtxsid9045425|35898-87-4","logHenry":-7.898,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.038,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.638,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.668,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.88,"MP.Reference":"EPA-CCD-OPERA","MW":604.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35898-87-4"}
{"Compound":"1-ethyl-3-methylimidazolium iodide","CAS":"35935-34-3","CAS.Checksum":true,"DTXSID":"DTXSID5049281","Formula":"C6H11IN2","All.Compound.Names":"1-ethyl-3-methylimidazolium iodide|Dtxsid5049281|35935-34-3","logHenry":-2.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.066,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.212,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01646,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.5,"MP.Reference":"EPA-CCD-OPERA","MW":238.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35935-34-3"}
{"Compound":"Butriptyline","CAS":"35941-65-2","CAS.Checksum":true,"DTXSID":"DTXSID6022715","Formula":"C21H27N","All.Compound.Names":"Butriptyline|Dtxsid6022715|35941-65-2","logHenry":-5.06,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.417,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.783,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.186,"logWSol.Reference":"EPA-CCD-OPERA","MP":115.2,"MP.Reference":"EPA-CCD-OPERA","MW":293.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35941-65-2"}
{"Compound":"Tiaramide hydrochloride","CAS":"35941-71-0","CAS.Checksum":true,"DTXSID":"DTXSID6048757","Formula":"C15H19Cl2N3O3S","All.Compound.Names":"Tiaramide hydrochloride|Dtxsid6048757|35941-71-0","logHenry":-11.05,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3375,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.01,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.455,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.9,"MP.Reference":"EPA-CCD-OPERA","MW":392.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35941-71-0"}
{"Compound":"Tricirbine","CAS":"35943-35-2","CAS.Checksum":true,"DTXSID":"DTXSID6045743","Formula":"C13H16N6O4","All.Compound.Names":"Tricirbine|Dtxsid6045743|35943-35-2","logHenry":-8.991,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.311,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.718,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.065,"logWSol.Reference":"EPA-CCD-OPERA","MP":223.6,"MP.Reference":"EPA-CCD-OPERA","MW":320.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35943-35-2"}
{"Compound":"Metomidate hydrochloride","CAS":"35944-74-2","CAS.Checksum":true,"DTXSID":"DTXSID0045707","Formula":"C13H15ClN2O2","All.Compound.Names":"Metomidate hydrochloride|Dtxsid0045707|35944-74-2","logHenry":-8.059,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.597,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.225,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.31,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.8,"MP.Reference":"EPA-CCD-OPERA","MW":266.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35944-74-2"}
{"Compound":"6h-dibenzo[c,e][1,2]oxaphosphinine 6-oxide","CAS":"35948-25-5","CAS.Checksum":true,"DTXSID":"DTXSID6044563","Formula":"C12H9O2P","All.Compound.Names":"6h-dibenzo[c,e][1,2]oxaphosphinine 6-oxide|Dtxsid6044563","logHenry":-5.227,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.038,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.497,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.939,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.2,"MP.Reference":"EPA-CCD-OPERA","MW":216.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35948-25-5"}
{"Compound":"Acetopromazine maleate","CAS":"3598-37-6","CAS.Checksum":true,"DTXSID":"DTXSID6047783","Formula":"C23H26N2O5S","All.Compound.Names":"Acetopromazine maleate|Dtxsid6047783|3598-37-6","logHenry":-8.028,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6623,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.091,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.3,"MP.Reference":"EPA-CCD-OPERA","MW":442.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3598-37-6"}
{"Compound":"1-butyl-3-methylimidazolium tetrachloroferrate (iii)","CAS":"359845-21-9","CAS.Checksum":true,"DTXSID":"DTXSID0049282","Formula":"C8H15Cl4FeN2","All.Compound.Names":"1-butyl-3-methylimidazolium tetrachloroferrate (iii)|Dtxsid0049282|359845-21-9","logHenry":-2.096,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6781,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.3,"MP.Reference":"EPA-CCD-OPERA","MW":336.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"359845-21-9"}
{"Compound":"Amiprofos-methyl","CAS":"36001-88-4","CAS.Checksum":true,"DTXSID":"DTXSID4041600","Formula":"C11H17N2O4PS","All.Compound.Names":"Amiprofos-methyl|Dtxsid4041600|36001-88-4","logHenry":-8.661,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.218,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.434,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.766,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.3,"MP.Reference":"EPA-CCD-OPERA","MW":304.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36001-88-4"}
{"Compound":"Piribedil","CAS":"3605-01-4","CAS.Checksum":true,"DTXSID":"DTXSID9045188","Formula":"C16H18N4O2","All.Compound.Names":"Piribedil|Dtxsid9045188|3605-01-4","logHenry":-5.419,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.662,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.797,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.556,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.13,"MP.Reference":"EPA-CCD-OPERA","MW":298.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3605-01-4"}
{"Compound":"Azepexole hydrochloride","CAS":"36067-72-8","CAS.Checksum":true,"DTXSID":"DTXSID5045756","Formula":"C9H17Cl2N3O","All.Compound.Names":"Azepexole hydrochloride|Dtxsid5045756|36067-72-8","logHenry":-9.237,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.586,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.79,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.198,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.2,"MP.Reference":"EPA-CCD-OPERA","MW":254.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36067-72-8"}
{"Compound":"Sodium cholate","CAS":"361-09-1","CAS.Checksum":true,"DTXSID":"DTXSID9033979","Formula":"C24H39NaO5","All.Compound.Names":"Sodium cholate|Dtxsid9033979|361-09-1","logHenry":-11.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.055,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.37,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.37,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.9,"MP.Reference":"EPA-CCD-OPERA","MW":430.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"361-09-1"}
{"Compound":"Methysergide","CAS":"361-37-5","CAS.Checksum":true,"DTXSID":"DTXSID2023307","Formula":"C21H27N3O2","All.Compound.Names":"Methysergide|361-37-5|Dtxsid2023307","logHenry":-8.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.577,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.895,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.421,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.9,"MP.Reference":"EPA-CCD-OPERA","MW":353.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.13,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"361-37-5"}
{"Compound":"7-methoxy-3,7-dimethyloctanal","CAS":"3613-30-7","CAS.Checksum":true,"DTXSID":"DTXSID7038818","Formula":"C11H22O2","All.Compound.Names":"7-methoxy-3,7-dimethyloctanal|Dtxsid7038818","logHenry":-3.446,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.781,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.778,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.867,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.25,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3613-30-7"}
{"Compound":"Diamfenetide","CAS":"36141-82-9","CAS.Checksum":true,"DTXSID":"DTXSID5046229","Formula":"C20H24N2O5","All.Compound.Names":"Diamfenetide|Dtxsid5046229|36141-82-9","logHenry":-9.114,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.258,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.336,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.854,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.7,"MP.Reference":"EPA-CCD-OPERA","MW":372.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36141-82-9"}
{"Compound":"Ramifenazone","CAS":"3615-24-5","CAS.Checksum":true,"DTXSID":"DTXSID1045906","Formula":"C14H19N3O","All.Compound.Names":"Ramifenazone|Dtxsid1045906|3615-24-5","logHenry":-6.747,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.066,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.613,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.97,"MP.Reference":"EPA-CCD-OPERA","MW":245.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3615-24-5"}
{"Compound":"(-)-fenfluramine hydrochloride","CAS":"3616-78-2","CAS.Checksum":true,"DTXSID":"DTXSID2048872","Formula":"C12H17ClF3N","All.Compound.Names":"(-)-fenfluramine hydrochloride|Dtxsid2048872|3616-78-2","logHenry":-5.285,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2856,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.224,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.351,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.8,"MP.Reference":"EPA-CCD-OPERA","MW":267.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3616-78-2"}
{"Compound":"Halofantrine hydrochloride","CAS":"36167-63-2","CAS.Checksum":true,"DTXSID":"DTXSID0045464","Formula":"C26H31Cl3F3NO","All.Compound.Names":"Halofantrine hydrochloride|Dtxsid0045464|36167-63-2","logHenry":-8.257,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.636,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.623,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.576,"logWSol.Reference":"EPA-CCD-OPERA","MP":221.5,"MP.Reference":"EPA-CCD-OPERA","MW":536.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36167-63-2"}
{"Compound":"N-butyl-2,2,6,6-tetramethylpiperidin-4-amine","CAS":"36177-92-1","CAS.Checksum":true,"DTXSID":"DTXSID7044926","Formula":"C13H28N2","All.Compound.Names":"N-butyl-2,2,6,6-tetramethylpiperidin-4-amine|Dtxsid7044926|36177-92-1","logHenry":-6.145,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.999,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.947,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.771,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.57,"MP.Reference":"EPA-CCD-OPERA","MW":212.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36177-92-1"}
{"Compound":"Bucladesine","CAS":"362-74-3","CAS.Checksum":true,"DTXSID":"DTXSID1040459","Formula":"C18H24N5O8P","All.Compound.Names":"Bucladesine|Dtxsid1040459|362-74-3","logHenry":-11.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9148,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.773,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.672,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.5,"MP.Reference":"EPA-CCD-OPERA","MW":469.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"362-74-3"}
{"Compound":"1-decyl-3-methylimidazolium hexafluorophosphate","CAS":"362043-46-7","CAS.Checksum":true,"DTXSID":"DTXSID5049283","Formula":"C14H27F6N2P","All.Compound.Names":"1-decyl-3-methylimidazolium hexafluorophosphate|Dtxsid5049283|362043-46-7","logHenry":-3.737,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7083,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.706,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.233,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.6,"MP.Reference":"EPA-CCD-OPERA","MW":368.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"362043-46-7"}
{"Compound":"N-butylbenzenesulfonamide","CAS":"3622-84-2","CAS.Checksum":true,"DTXSID":"DTXSID7027540","Formula":"C10H15NO2S","All.Compound.Names":"N-butylbenzenesulfonamide|Dtxsid7027540|3622-84-2","logHenry":-6.781,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.003,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.462,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.05,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.02,"MP.Reference":"EPA-CCD-OPERA","MW":213.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3622-84-2"}
{"Compound":"N-(2-fluorenyl)-2,2,2-trifluoroacetamide","CAS":"363-17-7","CAS.Checksum":true,"DTXSID":"DTXSID3020629","Formula":"C15H10F3NO","All.Compound.Names":"N-(2-fluorenyl)-2,2,2-trifluoroacetamide|Dtxsid3020629|363-17-7","logHenry":-9.594,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.368,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.272,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.11,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.8,"MP.Reference":"EPA-CCD-OPERA","MW":277.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"363-17-7"}
{"Compound":"Dinoprostone","CAS":"363-24-6","CAS.Checksum":true,"DTXSID":"DTXSID4022947","Formula":"C20H32O5","All.Compound.Names":"Dinoprostone|Dtxsid4022947|363-24-6","logHenry":-10.15,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.823,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.474,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.473,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.04,"MP.Reference":"EPA-CCD-OPERA","MW":352.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"363-24-6"}
{"Compound":"Dimemorfan phosphate","CAS":"36304-84-4","CAS.Checksum":true,"DTXSID":"DTXSID4048723","Formula":"C18H28NO4P","All.Compound.Names":"Dimemorfan phosphate|Dtxsid4048723|36304-84-4","logHenry":-3.841,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3682,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.501,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.767,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.6,"MP.Reference":"EPA-CCD-OPERA","MW":353.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36304-84-4"}
{"Compound":"Piroxicam","CAS":"36322-90-4","CAS.Checksum":true,"DTXSID":"DTXSID5021170","Formula":"C15H13N3O4S","All.Compound.Names":"Piroxicam|36322-90-4|Dtxsid5021170","logHenry":-9.223,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.52,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.948,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.125,"logWSol.Reference":"EPA-CCD-OPERA","MP":199,"MP.Reference":"EPA-CCD-OPERA","MW":331.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Dog|Monkey","Dog.Foral":1,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"23.4,10.4,52.8","Human.Caco2.Pab.Reference":"Lanevskij","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Monkey.Foral":0.89,"Monkey.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"36322-90-4"}
{"Compound":"Fenbufen","CAS":"36330-85-5","CAS.Checksum":true,"DTXSID":"DTXSID9023043","Formula":"C16H14O3","All.Compound.Names":"Fenbufen|36330-85-5|Dtxsid9023043","logHenry":-8.759,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.201,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.478,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.106,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.1,"MP.Reference":"EPA-CCD-OPERA","MW":254.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.78,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"36330-85-5"}
{"Compound":"1,3-bis(isocyanatomethyl)benzene","CAS":"3634-83-1","CAS.Checksum":true,"DTXSID":"DTXSID5038919","Formula":"C10H8N2O2","All.Compound.Names":"1,3-bis(isocyanatomethyl)benzene|Dtxsid5038919|3634-83-1","logHenry":-6.47,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8132,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.615,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.211,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.33,"MP.Reference":"EPA-CCD-OPERA","MW":188.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3634-83-1"}
{"Compound":"4-fluoro-3-nitroaniline","CAS":"364-76-1","CAS.Checksum":true,"DTXSID":"DTXSID5052042","Formula":"C6H5FN2O2","All.Compound.Names":"4-fluoro-3-nitroaniline|Dtxsid5052042|364-76-1","logHenry":-6.629,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.578,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.794,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.857,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.57,"MP.Reference":"EPA-CCD-OPERA","MW":156.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"364-76-1"}
{"Compound":"Ibogaine hydrochloride","CAS":"36415-61-9","CAS.Checksum":true,"DTXSID":"DTXSID7048877","All.Compound.Names":"Ibogaine hydrochloride|Dtxsid7048877|Ibogaine hydrochloride (1:x)|36415-61-9","logHenry":-10.28,"logHenry.Reference":"OPERA29","logP":3.93,"logP.Reference":"OPERA29","logWSol":-2.88,"logWSol.Reference":"OPERA29","MP":190,"MP.Reference":"OPERA29","MW":310.2,"MW.Reference":"OPERA29","pKa_Accept":"8.15","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"15.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36415-61-9"}
{"Compound":"Theaspirane","CAS":"36431-72-8","CAS.Checksum":true,"DTXSID":"DTXSID3047055","Formula":"C13H22O","All.Compound.Names":"Theaspirane|2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene|Dtxsid3047055","logHenry":-3.278,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.137,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.644,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.841,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.2,"MP.Reference":"EPA-CCD-OPERA","MW":194.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36431-72-8"}
{"Compound":"2-(2h-benzotriazol-2-yl)-6-(butan-2-yl)-4-tert-butylphenol","CAS":"36437-37-3","CAS.Checksum":true,"DTXSID":"DTXSID9044661","Formula":"C20H25N3O","All.Compound.Names":"2-(2h-benzotriazol-2-yl)-6-(butan-2-yl)-4-tert-butylphenol|Dtxsid9044661|36437-37-3","logHenry":-7.129,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.971,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.773,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.454,"logWSol.Reference":"EPA-CCD-OPERA","MP":111.2,"MP.Reference":"EPA-CCD-OPERA","MW":323.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36437-37-3"}
{"Compound":"Tolperisone hydrochloride","CAS":"3644-61-9","CAS.Checksum":true,"DTXSID":"DTXSID2045868","Formula":"C16H24ClNO","All.Compound.Names":"Tolperisone hydrochloride|Dtxsid2045868|3644-61-9","logHenry":-7.732,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.24,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.274,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.875,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.4,"MP.Reference":"EPA-CCD-OPERA","MW":281.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3644-61-9"}
{"Compound":"Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate","CAS":"36443-68-2","CAS.Checksum":true,"DTXSID":"DTXSID0044236","Formula":"C34H50O8","All.Compound.Names":"Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate|Dtxsid0044236|36443-68-2","logHenry":-7.52,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.124,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.59,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.174,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.4,"MP.Reference":"EPA-CCD-OPERA","MW":586.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36443-68-2"}
{"Compound":"1-benzyl-3-methylimidazolium chloride","CAS":"36443-80-8","CAS.Checksum":true,"DTXSID":"DTXSID8047929","Formula":"C11H13ClN2","All.Compound.Names":"1-benzyl-3-methylimidazolium chloride|Dtxsid8047929|36443-80-8","logHenry":-3.283,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8012,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.705,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.935,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.2,"MP.Reference":"EPA-CCD-OPERA","MW":208.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36443-80-8"}
{"Compound":"4-(2-chloroethyl)morpholine hydrochloride (1:1)","CAS":"3647-69-6","CAS.Checksum":true,"DTXSID":"DTXSID0052043","Formula":"C6H13Cl2NO","All.Compound.Names":"4-(2-chloroethyl)morpholine hydrochloride (1:1)|Dtxsid0052043|3647-69-6","logHenry":-4.947,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.447,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.876,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1817,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.2,"MP.Reference":"EPA-CCD-OPERA","MW":186.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3647-69-6"}
{"Compound":"Cinacalcet hydrochloride","CAS":"364782-34-3","CAS.Checksum":true,"DTXSID":"DTXSID3046792","Formula":"C22H23ClF3N","All.Compound.Names":"Cinacalcet hydrochloride|Dtxsid3046792|364782-34-3","logHenry":-7.182,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.668,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.17,"logWSol.Reference":"EPA-CCD-OPERA","MP":223.9,"MP.Reference":"EPA-CCD-OPERA","MW":393.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"364782-34-3"}
{"Compound":"Diundecyl phthalate","CAS":"3648-20-2","CAS.Checksum":true,"DTXSID":"DTXSID7025215","Formula":"C30H50O4","All.Compound.Names":"Diundecyl phthalate|Dtxsid7025215","logHenry":-6.581,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.98,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.701,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.747,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.537,"MP.Reference":"EPA-CCD-OPERA","MW":474.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3648-20-2"}
{"Compound":"Diheptyl phthalate","CAS":"3648-21-3","CAS.Checksum":true,"DTXSID":"DTXSID8040779","Formula":"C22H34O4","All.Compound.Names":"Diheptyl phthalate|Dtxsid8040779","logHenry":-6.603,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.487,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.174,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.348,"logWSol.Reference":"EPA-CCD-OPERA","MP":-16.7,"MP.Reference":"EPA-CCD-OPERA","MW":362.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3648-21-3"}
{"Compound":"Iproniazid sulfate","CAS":"36504-56-0","CAS.Checksum":true,"DTXSID":"DTXSID8045852","Formula":"C9H15N3O5S","All.Compound.Names":"Iproniazid sulfate|Dtxsid8045852|36504-56-0","logHenry":-8.665,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4855,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.355,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5483,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.3,"MP.Reference":"EPA-CCD-OPERA","MW":277.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36504-56-0"}
{"Compound":"Butaclamol hydrochloride","CAS":"36504-94-6","CAS.Checksum":true,"DTXSID":"DTXSID0045757","Formula":"C25H32ClNO","All.Compound.Names":"Butaclamol hydrochloride|Dtxsid0045757|36504-94-6","logHenry":-6.484,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.053,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.479,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.7,"MP.Reference":"EPA-CCD-OPERA","MW":398,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36504-94-6"}
{"Compound":"Mcpa-sodium","CAS":"3653-48-3","CAS.Checksum":true,"DTXSID":"DTXSID2034700","Formula":"C9H8ClNaO3","All.Compound.Names":"Mcpa-sodium|Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1)|Dtxsid2034700|3653-48-3","logHenry":-8.152,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.219,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.75,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.021,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.7,"MP.Reference":"EPA-CCD-OPERA","MW":222.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3653-48-3"}
{"Compound":"Bis(2-ethylhexyl) phosphonate","CAS":"3658-48-8","CAS.Checksum":true,"DTXSID":"DTXSID2044927","Formula":"C16H35O3P","All.Compound.Names":"Bis(2-ethylhexyl) phosphonate|Dtxsid2044927","logHenry":-5.754,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.784,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.094,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.761,"logWSol.Reference":"EPA-CCD-OPERA","MP":-65.26,"MP.Reference":"EPA-CCD-OPERA","MW":306.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3658-48-8"}
{"Compound":"4-hydroxy-2,5-dimethyl-3(2h)furanone","CAS":"3658-77-3","CAS.Checksum":true,"DTXSID":"DTXSID0041517","Formula":"C6H8O3","All.Compound.Names":"4-hydroxy-2,5-dimethyl-3(2h)furanone|Dtxsid0041517","logHenry":-6.339,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.04872,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.108,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2078,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.32,"MP.Reference":"EPA-CCD-OPERA","MW":128.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3658-77-3"}
{"Compound":"Tetramethylenediguanide sulfate","CAS":"36587-93-6","CAS.Checksum":true,"DTXSID":"DTXSID3048738","All.Compound.Names":"Tetramethylenediguanide sulfate|1,1'-tetramethylenediguanidine sulfate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36587-93-6"}
{"Compound":"Disodium propane-1,3-disulfonate","CAS":"36589-58-9","CAS.Checksum":true,"DTXSID":"DTXSID9046732","Formula":"C3H6Na2O6S2","All.Compound.Names":"Disodium propane-1,3-disulfonate|Dtxsid9046732|36589-58-9","logHenry":-10.41,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.54,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.38,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4482,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.1,"MP.Reference":"EPA-CCD-OPERA","MW":248.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36589-58-9"}
{"Compound":"2,2'-dipyridyl","CAS":"366-18-7","CAS.Checksum":true,"DTXSID":"DTXSID9040635","Formula":"C10H8N2","All.Compound.Names":"2,2'-dipyridyl|2,2'-bipyridine|Dtxsid9040635|366-18-7","logHenry":-6.08,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.501,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.628,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.422,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.97,"MP.Reference":"EPA-CCD-OPERA","MW":156.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"366-18-7"}
{"Compound":"Procarbazine hydrochloride","CAS":"366-70-1","CAS.Checksum":true,"DTXSID":"DTXSID3021190","Formula":"C12H20ClN3O","All.Compound.Names":"Procarbazine hydrochloride|Dtxsid3021190|366-70-1","logHenry":-8.656,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8148,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.135,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.388,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.3,"MP.Reference":"EPA-CCD-OPERA","MW":257.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"366-70-1"}
{"Compound":"Triisodecyl trimellitate","CAS":"36631-30-8","CAS.Checksum":true,"DTXSID":"DTXSID3047180","All.Compound.Names":"Triisodecyl trimellitate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36631-30-8"}
{"Compound":"1-hexadecanol","CAS":"36653-82-4","CAS.Checksum":true,"DTXSID":"DTXSID4027991","Formula":"C16H34O","All.Compound.Names":"1-hexadecanol|Dtxsid4027991|36653-82-4","logHenry":-4.846,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.621,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.277,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.133,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.34,"MP.Reference":"EPA-CCD-OPERA","MW":242.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36653-82-4"}
{"Compound":"Isopropyl triethanolamine titanate","CAS":"36673-16-2","CAS.Checksum":true,"DTXSID":"DTXSID7044928","Formula":"C18H42N2O8Ti","All.Compound.Names":"Isopropyl triethanolamine titanate","MW":462.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36673-16-2"}
{"Compound":"2-fluorophenol","CAS":"367-12-4","CAS.Checksum":true,"DTXSID":"DTXSID0047745","Formula":"C6H5FO","All.Compound.Names":"2-fluorophenol|Dtxsid0047745|367-12-4","logHenry":-5.495,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.709,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.067,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5867,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.22,"MP.Reference":"EPA-CCD-OPERA","MW":112.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"367-12-4"}
{"Compound":"2,4-difluoroaniline","CAS":"367-25-9","CAS.Checksum":true,"DTXSID":"DTXSID6025064","Formula":"C6H5F2N","All.Compound.Names":"2,4-difluoroaniline|Dtxsid6025064|367-25-9","logHenry":-5.206,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.54,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.368,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.1,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.341,"MP.Reference":"EPA-CCD-OPERA","MW":129.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"367-25-9"}
{"Compound":"Hexanoylchloride,3,5,5-trimethyl-","CAS":"36727-29-4","CAS.Checksum":true,"DTXSID":"DTXSID0049284","Formula":"C9H17ClO","All.Compound.Names":"Hexanoylchloride,3,5,5-trimethyl-|3,5,5-trimethylhexanoyl chloride|Dtxsid0049284","logHenry":-3.815,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.038,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8246,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.125,"logWSol.Reference":"EPA-CCD-OPERA","MP":-19.34,"MP.Reference":"EPA-CCD-OPERA","MW":176.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36727-29-4"}
{"Compound":"1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate","CAS":"367522-96-1","CAS.Checksum":true,"DTXSID":"DTXSID5049285","Formula":"C10H20F3NO3S","All.Compound.Names":"1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate|Dtxsid5049285|367522-96-1","logHenry":-1.157,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7528,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.402,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.356,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.2,"MP.Reference":"EPA-CCD-OPERA","MW":291.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"367522-96-1"}
{"Compound":"2,2,6,6-tetramethylpiperidin-4-amine","CAS":"36768-62-4","CAS.Checksum":true,"DTXSID":"DTXSID3044388","Formula":"C9H20N2","All.Compound.Names":"2,2,6,6-tetramethylpiperidin-4-amine|Dtxsid3044388|36768-62-4","logHenry":-6.435,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.486,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.132,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7058,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.02,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36768-62-4"}
{"Compound":"(3z)-3-hexenyl acetate","CAS":"3681-71-8","CAS.Checksum":true,"DTXSID":"DTXSID0041484","Formula":"C8H14O2","All.Compound.Names":"(3z)-3-hexenyl acetate|Dtxsid0041484","logHenry":-3.336,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.582,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.916,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.028,"logWSol.Reference":"EPA-CCD-OPERA","MP":-66.84,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3681-71-8"}
{"Compound":"6-nitrophthalhydrazide","CAS":"3682-19-7","CAS.Checksum":true,"DTXSID":"DTXSID1025774","Formula":"C8H5N3O4","All.Compound.Names":"6-nitrophthalhydrazide|Dtxsid1025774|3682-19-7","logHenry":-8.089,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3641,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.762,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.193,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.4,"MP.Reference":"EPA-CCD-OPERA","MW":207.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3682-19-7"}
{"Compound":"Meclofenoxate hydrochloride","CAS":"3685-84-5","CAS.Checksum":true,"DTXSID":"DTXSID8045141","Formula":"C12H17Cl2NO3","All.Compound.Names":"Meclofenoxate hydrochloride|Dtxsid8045141|3685-84-5","logHenry":-7.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.51,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.884,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.274,"logWSol.Reference":"EPA-CCD-OPERA","MP":107.2,"MP.Reference":"EPA-CCD-OPERA","MW":294.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3685-84-5"}
{"Compound":"Tolycaine","CAS":"3686-58-6","CAS.Checksum":true,"DTXSID":"DTXSID8057724","Formula":"C15H22N2O3","All.Compound.Names":"Tolycaine|Dtxsid8057724|3686-58-6","logHenry":-8.811,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.25,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.121,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.397,"logWSol.Reference":"EPA-CCD-OPERA","MP":119.2,"MP.Reference":"EPA-CCD-OPERA","MW":278.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3686-58-6"}
{"Compound":"Enzacamene","CAS":"36861-47-9","CAS.Checksum":true,"DTXSID":"DTXSID8047896","Formula":"C18H22O","All.Compound.Names":"Enzacamene|Dtxsid8047896","logHenry":-4.919,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.066,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.78,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.613,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.92,"MP.Reference":"EPA-CCD-OPERA","MW":254.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36861-47-9"}
{"Compound":"Cp-728663","CAS":"368832-42-2","CAS.Checksum":true,"DTXSID":"DTXSID1047283","Formula":"C26H33N3O2","All.Compound.Names":"Cp-728663|Dtxsid1047283|368832-42-2","logHenry":-7.509,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.816,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.818,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.191,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.4,"MP.Reference":"EPA-CCD-OPERA","MW":419.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"368832-42-2"}
{"Compound":"Chlormidazole","CAS":"3689-76-7","CAS.Checksum":true,"DTXSID":"DTXSID5046140","Formula":"C15H13ClN2","All.Compound.Names":"Chlormidazole|Dtxsid5046140|3689-76-7","logHenry":-3.813,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.171,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.232,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.237,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.04,"MP.Reference":"EPA-CCD-OPERA","MW":256.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3689-76-7"}
{"Compound":"Cloflucarban","CAS":"369-77-7","CAS.Checksum":true,"DTXSID":"DTXSID0048684","Formula":"C14H9Cl2F3N2O","All.Compound.Names":"Cloflucarban|Dtxsid0048684|369-77-7","logHenry":-9.124,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.428,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.9,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.471,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.5,"MP.Reference":"EPA-CCD-OPERA","MW":349.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"369-77-7"}
{"Compound":"Dipyrithione","CAS":"3696-28-4","CAS.Checksum":true,"DTXSID":"DTXSID1041897","Formula":"C10H8N2O2S2","All.Compound.Names":"Dipyrithione|Dtxsid1041897|3696-28-4","logHenry":-5.236,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.02,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.935,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.061,"logWSol.Reference":"EPA-CCD-OPERA","MP":258.5,"MP.Reference":"EPA-CCD-OPERA","MW":252.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3696-28-4"}
{"Compound":"Chlorhexidine dihydrochloride","CAS":"3697-42-5","CAS.Checksum":true,"DTXSID":"DTXSID7047144","Formula":"C22H32Cl4N10","All.Compound.Names":"Chlorhexidine dihydrochloride|Dtxsid7047144|3697-42-5","logHenry":-9.4,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.595,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.001,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.8,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.8,"MP.Reference":"EPA-CCD-OPERA","MW":578.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3697-42-5"}
{"Compound":"1-(methylsulfanyl)dodecane","CAS":"3698-89-3","CAS.Checksum":true,"DTXSID":"DTXSID2044929","Formula":"C13H28S","All.Compound.Names":"1-(methylsulfanyl)dodecane|Dtxsid2044929","logHenry":-2.421,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.861,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5758,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.463,"logWSol.Reference":"EPA-CCD-OPERA","MP":-76.39,"MP.Reference":"EPA-CCD-OPERA","MW":216.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3698-89-3"}
{"Compound":"Ethyl octyl sulfide","CAS":"3698-94-0","CAS.Checksum":true,"DTXSID":"DTXSID4044662","Formula":"C10H22S","All.Compound.Names":"Ethyl octyl sulfide|Dtxsid4044662","logHenry":-1.909,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.486,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2356,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.411,"logWSol.Reference":"EPA-CCD-OPERA","MP":-73.86,"MP.Reference":"EPA-CCD-OPERA","MW":174.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3698-94-0"}
{"Compound":"1-(2-hydroxyethyl)-2-imidazolidinone","CAS":"3699-54-5","CAS.Checksum":true,"DTXSID":"DTXSID0029260","Formula":"C5H10N2O2","All.Compound.Names":"1-(2-hydroxyethyl)-2-imidazolidinone|Hydroxyethyl imidazolidinone|Dtxsid0029260|3699-54-5","logHenry":-7.578,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1007,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.941,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8969,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.68,"MP.Reference":"EPA-CCD-OPERA","MW":130.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.85","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3699-54-5"}
{"Compound":"Bamethan","CAS":"3703-79-5","CAS.Checksum":true,"DTXSID":"DTXSID5046144","Formula":"C12H19NO2","All.Compound.Names":"Bamethan|Dtxsid5046144|3703-79-5","logHenry":-9.489,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.025,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.298,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.582,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.1,"MP.Reference":"EPA-CCD-OPERA","MW":209.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.09","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3703-79-5"}
{"Compound":"Mibolerone","CAS":"3704-09-4","CAS.Checksum":true,"DTXSID":"DTXSID4036489","Formula":"C20H30O2","All.Compound.Names":"Mibolerone|Dtxsid4036489|3704-09-4","logHenry":-8.346,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.193,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.312,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.063,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.9,"MP.Reference":"EPA-CCD-OPERA","MW":302.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3704-09-4"}
{"Compound":"Tegafur","CAS":"37076-68-9","CAS.Checksum":true,"DTXSID":"DTXSID8021305","Formula":"C8H9FN2O3","All.Compound.Names":"Tegafur|(r)-tegafur|Dtxsid8021305|37076-68-9","logHenry":-8.422,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2674,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.774,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.999,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.2,"MP.Reference":"EPA-CCD-OPERA","MW":200.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"37076-68-9"}
{"Compound":"1-butyl-1-methylpyrrolidinium dicyanamide","CAS":"370865-80-8","CAS.Checksum":true,"DTXSID":"DTXSID2047939","Formula":"C11H20N4","All.Compound.Names":"1-butyl-1-methylpyrrolidinium dicyanamide|370865-80-8","logHenry":-0.28,"logHenry.Reference":"OPERA29","logP":-1.94,"logP.Reference":"OPERA29","logWSol":-1.64,"logWSol.Reference":"OPERA29","MP":-53,"MP.Reference":"OPERA29","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"370865-80-8"}
{"Compound":"1-ethyl-3-methylimidazolium dicyanamide","CAS":"370865-89-7","CAS.Checksum":true,"DTXSID":"DTXSID9047964","Formula":"C8H11N5","All.Compound.Names":"1-ethyl-3-methylimidazolium dicyanamide|1h-?imidazolium, 3-?ethyl-?1-?methyl-?, salt with n-?cyanocyanamide (1:1)","MW":177.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"370865-89-7"}
{"Compound":"Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-nitro-, disodium salt","CAS":"3709-43-1","CAS.Checksum":true,"DTXSID":"DTXSID7027542","Formula":"C14H8N2Na2O10S2","All.Compound.Names":"Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-nitro-, disodium salt|Disodium 4,4'-dinitro-2,2'-stilbenedisulfonate|Dtxsid7027542|3709-43-1","logHenry":-9.969,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.405,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.095,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.08498,"logWSol.Reference":"EPA-CCD-OPERA","MP":229.3,"MP.Reference":"EPA-CCD-OPERA","MW":474.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3709-43-1"}
{"Compound":"Azlocillin sodium","CAS":"37091-65-9","CAS.Checksum":true,"DTXSID":"DTXSID6045581","Formula":"C20H22N5NaO6S","All.Compound.Names":"Azlocillin sodium|Dtxsid6045581|37091-65-9","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9905,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.5,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.171,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.4,"MP.Reference":"EPA-CCD-OPERA","MW":483.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"37091-65-9"}
{"Compound":"4-fluoroaniline","CAS":"371-40-4","CAS.Checksum":true,"DTXSID":"DTXSID9022027","Formula":"C6H6FN","All.Compound.Names":"4-fluoroaniline|Dtxsid9022027|371-40-4","logHenry":-6.216,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.152,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.788,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.204,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.8351,"MP.Reference":"EPA-CCD-OPERA","MW":111.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"371-40-4"}
{"Compound":"N,n-diethylhydroxylamine","CAS":"3710-84-7","CAS.Checksum":true,"DTXSID":"DTXSID2027543","Formula":"C4H11NO","All.Compound.Names":"N,n-diethylhydroxylamine|Dtxsid2027543|3710-84-7","logHenry":-5.857,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1681,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.159,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5542,"logWSol.Reference":"EPA-CCD-OPERA","MP":10.01,"MP.Reference":"EPA-CCD-OPERA","MW":89.14,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3710-84-7"}
{"Compound":"Fotretamine","CAS":"37132-72-2","CAS.Checksum":true,"DTXSID":"DTXSID5048687","Formula":"C14H28N9OP3","All.Compound.Names":"Fotretamine|Dtxsid5048687|37132-72-2","logHenry":-6.989,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.542,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.037,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.8,"MP.Reference":"EPA-CCD-OPERA","MW":431.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"37132-72-2"}
{"Compound":"1-methoxy-2-propylamine","CAS":"37143-54-7","CAS.Checksum":true,"DTXSID":"DTXSID4029359","Formula":"C4H11NO","All.Compound.Names":"1-methoxy-2-propylamine|Dtxsid4029359|37143-54-7","logHenry":-6.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2301,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.009,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7846,"logWSol.Reference":"EPA-CCD-OPERA","MP":-84.15,"MP.Reference":"EPA-CCD-OPERA","MW":89.14,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"37143-54-7"}
{"Compound":"Clenbuterol","CAS":"37148-27-9","CAS.Checksum":true,"DTXSID":"DTXSID7022833","Formula":"C12H18Cl2N2O","All.Compound.Names":"Clenbuterol|37148-27-9|Dtxsid7022833","logHenry":-10.46,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.107,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.428,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.389,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.7,"MP.Reference":"EPA-CCD-OPERA","MW":277.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"37148-27-9"}
{"Compound":"Flavoxate hydrochloride","CAS":"3717-88-2","CAS.Checksum":true,"DTXSID":"DTXSID1047784","Formula":"C24H26ClNO4","All.Compound.Names":"Flavoxate hydrochloride|Dtxsid1047784|3717-88-2","logHenry":-7.967,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.19,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.5,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.687,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.3,"MP.Reference":"EPA-CCD-OPERA","MW":427.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3717-88-2"}
{"Compound":"Cyanoacetic acid","CAS":"372-09-8","CAS.Checksum":true,"DTXSID":"DTXSID0027149","Formula":"C3H3NO2","All.Compound.Names":"Cyanoacetic acid|Dtxsid0027149|372-09-8","logHenry":-7.968,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7598,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.954,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8395,"logWSol.Reference":"EPA-CCD-OPERA","MP":66.13,"MP.Reference":"EPA-CCD-OPERA","MW":85.06,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"372-09-8"}
{"Compound":"Cyclobutanecarboxylic acid","CAS":"3721-95-7","CAS.Checksum":true,"DTXSID":"DTXSID3057725","Formula":"C5H8O2","All.Compound.Names":"Cyclobutanecarboxylic acid|Dtxsid3057725|3721-95-7","logHenry":-6.082,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6707,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.877,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.274,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.799,"MP.Reference":"EPA-CCD-OPERA","MW":100.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3721-95-7"}
{"Compound":"N-(chloromethylidene)-n-methylmethanaminium chloride","CAS":"3724-43-4","CAS.Checksum":true,"DTXSID":"DTXSID7044423","Formula":"C3H7Cl2N","All.Compound.Names":"N-(chloromethylidene)-n-methylmethanaminium chloride|Dtxsid7044423|3724-43-4","logHenry":-1.963,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.344,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.784,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.592,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.5,"MP.Reference":"EPA-CCD-OPERA","MW":128,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3724-43-4"}
{"Compound":"2-butenoic acid","CAS":"3724-65-0","CAS.Checksum":true,"DTXSID":"DTXSID7027544","Formula":"C4H6O2","All.Compound.Names":"2-butenoic acid|Dtxsid7027544|3724-65-0","logHenry":-6.224,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7193,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.449,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01044,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.38,"MP.Reference":"EPA-CCD-OPERA","MW":86.09,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3724-65-0"}
{"Compound":"Leucomycin tartrate","CAS":"37280-56-1","CAS.Checksum":true,"DTXSID":"DTXSID8048604","All.Compound.Names":"Leucomycin tartrate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"37280-56-1"}
{"Compound":"1,1-diethyl-2-hydroxy-2-nitrosohydrazine diethylamine","CAS":"372965-00-9","CAS.Checksum":true,"DTXSID":"DTXSID2048741","Formula":"C8H22N4O2","All.Compound.Names":"1,1-diethyl-2-hydroxy-2-nitrosohydrazine diethylamine|Dtxsid2048741|372965-00-9","logHenry":-6.709,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9192,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5191,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.3,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"372965-00-9"}
{"Compound":"(z)-hexadec-9-enoic acid","CAS":"373-49-9","CAS.Checksum":true,"DTXSID":"DTXSID0041197","Formula":"C16H30O2","All.Compound.Names":"(z)-hexadec-9-enoic acid|Dtxsid0041197|373-49-9","logHenry":-8.381,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.619,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.256,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.995,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.6631,"MP.Reference":"EPA-CCD-OPERA","MW":254.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"373-49-9"}
{"Compound":"3-(aminomethyl)pyridine","CAS":"3731-52-0","CAS.Checksum":true,"DTXSID":"DTXSID2044424","Formula":"C6H8N2","All.Compound.Names":"3-(aminomethyl)pyridine|Dtxsid2044424|3731-52-0","logHenry":-6.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3199,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.191,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8648,"logWSol.Reference":"EPA-CCD-OPERA","MP":-20.3,"MP.Reference":"EPA-CCD-OPERA","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3731-52-0"}
{"Compound":"Apramycin","CAS":"37321-09-8","CAS.Checksum":true,"DTXSID":"DTXSID5045465","Formula":"C21H41N5O11","All.Compound.Names":"Apramycin|Dtxsid5045465|37321-09-8","logHenry":-10.62,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.826,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.43,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2562,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.6,"MP.Reference":"EPA-CCD-OPERA","MW":539.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"37321-09-8"}
{"Compound":"Denatonium benzoate","CAS":"3734-33-6","CAS.Checksum":true,"DTXSID":"DTXSID8034376","Formula":"C28H34N2O3","All.Compound.Names":"Denatonium benzoate|Dtxsid8034376|3734-33-6","logHenry":-8.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.725,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.782,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.026,"logWSol.Reference":"EPA-CCD-OPERA","MP":168,"MP.Reference":"EPA-CCD-OPERA","MW":446.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3734-33-6"}
{"Compound":"C.i. acid red 1","CAS":"3734-67-6","CAS.Checksum":true,"DTXSID":"DTXSID9044663","Formula":"C18H13N3Na2O8S2","All.Compound.Names":"C.i. acid red 1|Dtxsid9044663|3734-67-6","logHenry":-10.42,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.566,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.89,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5277,"logWSol.Reference":"EPA-CCD-OPERA","MP":234.6,"MP.Reference":"EPA-CCD-OPERA","MW":509.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3734-67-6"}
{"Compound":"Mefeserpine","CAS":"3735-85-1","CAS.Checksum":true,"DTXSID":"DTXSID0046721","Formula":"C32H38N2O8","All.Compound.Names":"Mefeserpine|Dtxsid0046721|3735-85-1","logHenry":-7.877,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.964,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.208,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.576,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.2,"MP.Reference":"EPA-CCD-OPERA","MW":578.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3735-85-1"}
{"Compound":"Diloxanide furoate","CAS":"3736-81-0","CAS.Checksum":true,"DTXSID":"DTXSID8048999","Formula":"C14H11Cl2NO4","All.Compound.Names":"Diloxanide furoate|Dtxsid8048999|3736-81-0","logHenry":-8.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.243,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.507,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.427,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.7,"MP.Reference":"EPA-CCD-OPERA","MW":328.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3736-81-0"}
{"Compound":"Etymemazine hydrochloride","CAS":"3737-33-5","CAS.Checksum":true,"DTXSID":"DTXSID1045110","Formula":"C20H27ClN2S","All.Compound.Names":"Etymemazine hydrochloride|Dtxsid1045110|3737-33-5","logHenry":-7.369,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.809,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.64,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.578,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.1,"MP.Reference":"EPA-CCD-OPERA","MW":363,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3737-33-5"}
{"Compound":"3,3,4,4-tetrachlorotetrahydrothiophene 1,1-dioxide","CAS":"3737-41-5","CAS.Checksum":true,"DTXSID":"DTXSID7041461","Formula":"C4H4Cl4O2S","All.Compound.Names":"3,3,4,4-tetrachlorotetrahydrothiophene 1,1-dioxide|Dtxsid7041461","logHenry":-4.991,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.875,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.922,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.989,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.09,"MP.Reference":"EPA-CCD-OPERA","MW":257.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3737-41-5"}
{"Compound":"Phenylacetylglycine dimethylamide","CAS":"3738-06-5","CAS.Checksum":true,"DTXSID":"DTXSID8057726","Formula":"C12H16N2O2","All.Compound.Names":"Phenylacetylglycine dimethylamide|Dtxsid8057726|3738-06-5","logHenry":-8.854,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.013,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.932,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.287,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.54,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3738-06-5"}
{"Compound":"Glycol sulfite","CAS":"3741-38-6","CAS.Checksum":true,"DTXSID":"DTXSID4020668","Formula":"C2H4O3S","All.Compound.Names":"Glycol sulfite|Dtxsid4020668","logHenry":-6.906,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8943,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.333,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2216,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.9,"MP.Reference":"EPA-CCD-OPERA","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3741-38-6"}
{"Compound":"1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate","CAS":"374564-83-7","CAS.Checksum":true,"DTXSID":"DTXSID0049286","Formula":"C6H11BF4N2O","All.Compound.Names":"1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate|Dtxsid0049286|374564-83-7","logHenry":-6.323,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7081,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.997,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9286,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.8,"MP.Reference":"EPA-CCD-OPERA","MW":214,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"374564-83-7"}
{"Compound":"Trihexyltetradecylphosphonium hexafluorophosphate","CAS":"374683-44-0","CAS.Checksum":true,"DTXSID":"DTXSID5047950","Formula":"C32H68F6P2","All.Compound.Names":"Trihexyltetradecylphosphonium hexafluorophosphate","logHenry":-6.139,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7577,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.92,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.049,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.9,"MP.Reference":"EPA-CCD-OPERA","MW":628.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"374683-44-0"}
{"Compound":"1,3-diisopropenylbenzene","CAS":"3748-13-8","CAS.Checksum":true,"DTXSID":"DTXSID7027546","Formula":"C12H14","All.Compound.Names":"1,3-diisopropenylbenzene|M-bis(1-methylvinyl)benzene|Dtxsid7027546","logHenry":-2.229,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.039,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.523,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.659,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.54,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3748-13-8"}
{"Compound":"Pipothiazine palmitate","CAS":"37517-26-3","CAS.Checksum":true,"DTXSID":"DTXSID5048970","Formula":"C40H63N3O4S2","All.Compound.Names":"Pipothiazine palmitate|Dtxsid5048970|37517-26-3","logHenry":-6.34,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.87,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.804,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.331,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.8,"MP.Reference":"EPA-CCD-OPERA","MW":714.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"37517-26-3"}
{"Compound":"2-(trifluoromethoxy)benzenesulfonamide","CAS":"37526-59-3","CAS.Checksum":true,"DTXSID":"DTXSID1044930","Formula":"C7H6F3NO3S","All.Compound.Names":"2-(trifluoromethoxy)benzenesulfonamide|Dtxsid1044930|37526-59-3","logHenry":-9.434,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.273,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.829,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.881,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.2,"MP.Reference":"EPA-CCD-OPERA","MW":241.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"37526-59-3"}
{"Compound":"Benzyl tiglate","CAS":"37526-88-8","CAS.Checksum":true,"DTXSID":"DTXSID3047130","Formula":"C12H14O2","All.Compound.Names":"Benzyl tiglate|Benzyl (2e)-2-methylbut-2-enoate|Dtxsid3047130","logHenry":-4.499,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.044,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.063,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.944,"logWSol.Reference":"EPA-CCD-OPERA","MP":-23.18,"MP.Reference":"EPA-CCD-OPERA","MW":190.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"37526-88-8"}
{"Compound":"1,3-bis(4-carboxyphenoxy)propane","CAS":"3753-81-9","CAS.Checksum":true,"DTXSID":"DTXSID8046585","Formula":"C17H16O6","All.Compound.Names":"1,3-bis(4-carboxyphenoxy)propane|Dtxsid8046585|3753-81-9","logHenry":-10.19,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.674,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.624,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.75,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.6,"MP.Reference":"EPA-CCD-OPERA","MW":316.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3753-81-9"}
{"Compound":"Methyltrioctylammonium bis(trifluoromethylsulfonyl)imide","CAS":"375395-33-8","CAS.Checksum":true,"DTXSID":"DTXSID3047926","Formula":"C27H54F6N2O4S2","All.Compound.Names":"Methyltrioctylammonium bis(trifluoromethylsulfonyl)imide","MW":648.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"375395-33-8"}
{"Compound":"Fenoverine","CAS":"37561-27-6","CAS.Checksum":true,"DTXSID":"DTXSID8046296","Formula":"C26H25N3O3S","All.Compound.Names":"Fenoverine|Dtxsid8046296|37561-27-6","logHenry":-7.588,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.896,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.783,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.837,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.5,"MP.Reference":"EPA-CCD-OPERA","MW":459.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"37561-27-6"}
{"Compound":"Beta-estradiol 17-propionate","CAS":"3758-34-7","CAS.Checksum":true,"DTXSID":"DTXSID4048985","Formula":"C21H28O3","All.Compound.Names":"Beta-estradiol 17-propionate|Dtxsid4048985|3758-34-7","logHenry":-8.599,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.914,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.794,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.56,"logWSol.Reference":"EPA-CCD-OPERA","MP":231.2,"MP.Reference":"EPA-CCD-OPERA","MW":328.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3758-34-7"}
{"Compound":"Varenicline tartrate","CAS":"375815-87-5","CAS.Checksum":true,"DTXSID":"DTXSID0049072","Formula":"C17H19N3O6","All.Compound.Names":"Varenicline tartrate|Dtxsid0049072|375815-87-5","logHenry":-6.837,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7892,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.052,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.272,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.4,"MP.Reference":"EPA-CCD-OPERA","MW":361.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"375815-87-5"}
{"Compound":"Furaltadone hydrochloride","CAS":"3759-92-0","CAS.Checksum":true,"DTXSID":"DTXSID5045380","Formula":"C13H17ClN4O6","All.Compound.Names":"Furaltadone hydrochloride|Dtxsid5045380|3759-92-0","logHenry":-7.825,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9318,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.54,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.634,"logWSol.Reference":"EPA-CCD-OPERA","MP":127.1,"MP.Reference":"EPA-CCD-OPERA","MW":360.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3759-92-0"}
{"Compound":"5-cyclohexadecen-1-one","CAS":"37609-25-9","CAS.Checksum":true,"DTXSID":"DTXSID8047139","Formula":"C16H28O","All.Compound.Names":"5-cyclohexadecen-1-one|Dtxsid8047139","logHenry":-4.268,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.001,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.139,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.259,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.47,"MP.Reference":"EPA-CCD-OPERA","MW":236.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"37609-25-9"}
{"Compound":"2,4,6-trichloropyrimidine","CAS":"3764-01-0","CAS.Checksum":true,"DTXSID":"DTXSID5049287","Formula":"C4HCl3N2","All.Compound.Names":"2,4,6-trichloropyrimidine|Dtxsid5049287|3764-01-0","logHenry":-5.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.205,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.475,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.377,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.61,"MP.Reference":"EPA-CCD-OPERA","MW":183.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3764-01-0"}
{"Compound":"Buturon","CAS":"3766-60-7","CAS.Checksum":true,"DTXSID":"DTXSID5041699","Formula":"C12H13ClN2O","All.Compound.Names":"Buturon|Dtxsid5041699|3766-60-7","logHenry":-9.634,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.998,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.009,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.894,"logWSol.Reference":"EPA-CCD-OPERA","MP":143,"MP.Reference":"EPA-CCD-OPERA","MW":236.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3766-60-7"}
{"Compound":"Bacampicillin hydrochloride","CAS":"37661-08-8","CAS.Checksum":true,"DTXSID":"DTXSID0045466","Formula":"C21H28ClN3O7S","All.Compound.Names":"Bacampicillin hydrochloride|Dtxsid0045466|37661-08-8","logHenry":-10.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3047,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.329,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.593,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.7,"MP.Reference":"EPA-CCD-OPERA","MW":502,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"37661-08-8"}
{"Compound":"Terguride","CAS":"37686-84-3","CAS.Checksum":true,"DTXSID":"DTXSID3045809","Formula":"C20H28N4O","All.Compound.Names":"Terguride|37686-84-3|Dtxsid3045809","logHenry":-9.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.41,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.144,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.388,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.4,"MP.Reference":"EPA-CCD-OPERA","MW":340.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.3,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"37686-84-3"}
{"Compound":"Clofoctol","CAS":"37693-01-9","CAS.Checksum":true,"DTXSID":"DTXSID5045889","Formula":"C21H26Cl2O","All.Compound.Names":"Clofoctol|Dtxsid5045889|37693-01-9","logHenry":-8.933,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.993,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.55,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.297,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.93,"MP.Reference":"EPA-CCD-OPERA","MW":365.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"37693-01-9"}
{"Compound":"Nafenopin","CAS":"3771-19-5","CAS.Checksum":true,"DTXSID":"DTXSID8020911","Formula":"C20H22O3","All.Compound.Names":"Nafenopin|Dtxsid8020911|3771-19-5","logHenry":-9.208,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.09,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.822,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.483,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.8,"MP.Reference":"EPA-CCD-OPERA","MW":310.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3771-19-5"}
{"Compound":"Sulfamethomidine","CAS":"3772-76-7","CAS.Checksum":true,"DTXSID":"DTXSID0023616","Formula":"C12H14N4O3S","All.Compound.Names":"Sulfamethomidine|Dtxsid0023616|3772-76-7","logHenry":-9.833,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.611,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.674,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.543,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.3,"MP.Reference":"EPA-CCD-OPERA","MW":294.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3772-76-7"}
{"Compound":"2-(tert-butylamino)ethyl 2-methylprop-2-enoate","CAS":"3775-90-4","CAS.Checksum":true,"DTXSID":"DTXSID6044931","Formula":"C10H19NO2","All.Compound.Names":"2-(tert-butylamino)ethyl 2-methylprop-2-enoate|Dtxsid6044931|3775-90-4","logHenry":-7.794,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.459,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.195,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.14,"logWSol.Reference":"EPA-CCD-OPERA","MP":-12.11,"MP.Reference":"EPA-CCD-OPERA","MW":185.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3775-90-4"}
{"Compound":"Zaprinast","CAS":"37762-06-4","CAS.Checksum":true,"DTXSID":"DTXSID8045224","Formula":"C13H13N5O2","All.Compound.Names":"Zaprinast|Dtxsid8045224|37762-06-4","logHenry":-9.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.202,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.859,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.05,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.3,"MP.Reference":"EPA-CCD-OPERA","MW":271.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.26","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"37762-06-4"}
{"Compound":"Dichlormid","CAS":"37764-25-3","CAS.Checksum":true,"DTXSID":"DTXSID4027997","Formula":"C8H11Cl2NO","All.Compound.Names":"Dichlormid|Dtxsid4027997|37764-25-3","logHenry":-6.087,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.738,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.337,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.616,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.527,"MP.Reference":"EPA-CCD-OPERA","MW":208.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"37764-25-3"}
{"Compound":"2-pentylfuran","CAS":"3777-69-3","CAS.Checksum":true,"DTXSID":"DTXSID9047679","Formula":"C9H14O","All.Compound.Names":"2-pentylfuran|Dtxsid9047679|3777-69-3","logHenry":-2.556,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.235,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2044,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.378,"logWSol.Reference":"EPA-CCD-OPERA","MP":-99.22,"MP.Reference":"EPA-CCD-OPERA","MW":138.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3777-69-3"}
{"Compound":"Todralazine hydrochloride","CAS":"3778-76-5","CAS.Checksum":true,"DTXSID":"DTXSID4044664","Formula":"C11H13ClN4O2","All.Compound.Names":"Todralazine hydrochloride|Dtxsid4044664|3778-76-5","logHenry":-9.038,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.089,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.502,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.494,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.6,"MP.Reference":"EPA-CCD-OPERA","MW":268.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3778-76-5"}
{"Compound":"Viomycin sulfate","CAS":"37883-00-4","CAS.Checksum":true,"DTXSID":"DTXSID8046290","All.Compound.Names":"Viomycin sulfate|Viomycin sulfate (1:x)","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"37883-00-4"}
{"Compound":"(s)-(-)-1-amino-1-phenylpropane","CAS":"3789-59-1","CAS.Checksum":true,"DTXSID":"DTXSID0049288","Formula":"C9H13N","All.Compound.Names":"(s)-(-)-1-amino-1-phenylpropane|(1s)-1-phenyl-1-propanamine|Dtxsid0049288|3789-59-1","logHenry":-5.571,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.861,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.977,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8616,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.72,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3789-59-1"}
{"Compound":"Triphenyltin fluoride","CAS":"379-52-2","CAS.Checksum":true,"DTXSID":"DTXSID3042500","Formula":"C18H15FSn","All.Compound.Names":"Triphenyltin fluoride","MW":369,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"379-52-2"}
{"Compound":"Ergotamine d-tartrate","CAS":"379-79-3","CAS.Checksum":true,"DTXSID":"DTXSID3025253","Formula":"C70H76N10O16","All.Compound.Names":"Ergotamine d-tartrate|Dtxsid3025253|379-79-3","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7884,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.79,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.039,"logWSol.Reference":"EPA-CCD-OPERA","MP":136,"MP.Reference":"EPA-CCD-OPERA","MW":1313,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"379-79-3"}
{"Compound":"Cis-nerolidol","CAS":"3790-78-1","CAS.Checksum":true,"DTXSID":"DTXSID1047239","Formula":"C15H26O","All.Compound.Names":"Cis-nerolidol|Dtxsid1047239|3790-78-1","logHenry":-6,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.862,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.39,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.612,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.63,"MP.Reference":"EPA-CCD-OPERA","MW":222.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3790-78-1"}
{"Compound":"1-butyl-1-methylpiperidinium iodide","CAS":"37971-78-1","CAS.Checksum":true,"DTXSID":"DTXSID5049289","Formula":"C10H22IN","All.Compound.Names":"1-butyl-1-methylpiperidinium iodide|Dtxsid5049289|37971-78-1","logHenry":-1.182,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.444,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.771,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.267,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.9,"MP.Reference":"EPA-CCD-OPERA","MW":283.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"37971-78-1"}
{"Compound":"Pirbuterol hydrochloride","CAS":"38029-10-6","CAS.Checksum":true,"DTXSID":"DTXSID5045120","Formula":"C12H22Cl2N2O3","All.Compound.Names":"Pirbuterol hydrochloride|Dtxsid5045120|38029-10-6","logHenry":-10.11,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7889,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.421,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.539,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.4,"MP.Reference":"EPA-CCD-OPERA","MW":313.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.91","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38029-10-6"}
{"Compound":"Isoniazid sodium methanesulfonate","CAS":"3804-89-5","CAS.Checksum":true,"DTXSID":"DTXSID7046885","Formula":"C7H8N3NaO4S","All.Compound.Names":"Isoniazid sodium methanesulfonate|Dtxsid7046885|3804-89-5","logHenry":-9.016,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.541,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.863,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4762,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.5,"MP.Reference":"EPA-CCD-OPERA","MW":253.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3804-89-5"}
{"Compound":"1-[2-({[5-diethylamino)-2-{[4-(dimethylsulfamoyl)phenyl]diazenyl}phenyl]sulfonyl}amino)ethyl]pyridinium chloride","CAS":"38051-02-4","CAS.Checksum":true,"DTXSID":"DTXSID7048611","Formula":"C25H33ClN6O4S2","All.Compound.Names":"1-[2-({[5-diethylamino)-2-{[4-(dimethylsulfamoyl)phenyl]diazenyl}phenyl]sulfonyl}amino)ethyl]pyridinium chloride|1-[2-({[5-(diethylamino)-2-{(e)-[4-(dimethylsulfamoyl)phenyl]diazenyl}phenyl]sulfonyl}amino)ethyl]pyridinium chloride|Dtxsid7048611|38051-02-4","logHenry":-6.634,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.889,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.333,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.529,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.1,"MP.Reference":"EPA-CCD-OPERA","MW":581.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38051-02-4"}
{"Compound":"Climbazole","CAS":"38083-17-9","CAS.Checksum":true,"DTXSID":"DTXSID6046555","Formula":"C15H17ClN2O2","All.Compound.Names":"Climbazole|Dtxsid6046555|38083-17-9","logHenry":-8.168,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.505,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.958,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.948,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.37,"MP.Reference":"EPA-CCD-OPERA","MW":292.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38083-17-9"}
{"Compound":"(e)-4-amino-2-butenoic acid","CAS":"38090-53-8","CAS.Checksum":true,"DTXSID":"DTXSID8045648","Formula":"C4H7NO2","All.Compound.Names":"(e)-4-amino-2-butenoic acid|Dtxsid8045648|38090-53-8","logHenry":-7.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.773,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.927,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9219,"logWSol.Reference":"EPA-CCD-OPERA","MP":281.2,"MP.Reference":"EPA-CCD-OPERA","MW":101.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.55","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38090-53-8"}
{"Compound":"D-fructose 1,6-bisphosphate trisodium","CAS":"38099-82-0","CAS.Checksum":true,"DTXSID":"DTXSID9046601","Formula":"C6H11Na3O12P2","All.Compound.Names":"D-fructose 1,6-bisphosphate trisodium|Dtxsid9046601|38099-82-0","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.402,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.95,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.08562,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.1,"MP.Reference":"EPA-CCD-OPERA","MW":406.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38099-82-0"}
{"Compound":"Tenonitrozole","CAS":"3810-35-3","CAS.Checksum":true,"DTXSID":"DTXSID5046277","Formula":"C8H5N3O3S2","All.Compound.Names":"Tenonitrozole|Dtxsid5046277|3810-35-3","logHenry":-9.844,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.451,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.161,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.486,"logWSol.Reference":"EPA-CCD-OPERA","MP":255.4,"MP.Reference":"EPA-CCD-OPERA","MW":255.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3810-35-3"}
{"Compound":"Diphenoxylate hydrochloride","CAS":"3810-80-8","CAS.Checksum":true,"DTXSID":"DTXSID3047843","Formula":"C30H33ClN2O2","All.Compound.Names":"Diphenoxylate hydrochloride|Dtxsid3047843|3810-80-8","logHenry":-6.259,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.077,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.602,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.753,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.5,"MP.Reference":"EPA-CCD-OPERA","MW":489.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3810-80-8"}
{"Compound":"5,5'-[propane-2,2-diylbis(benzene-4,1-diyloxy)]bis(2-benzofuran-1,3-dione)","CAS":"38103-06-9","CAS.Checksum":true,"DTXSID":"DTXSID3028001","Formula":"C31H20O8","All.Compound.Names":"5,5'-[propane-2,2-diylbis(benzene-4,1-diyloxy)]bis(2-benzofuran-1,3-dione)|4,4'-(4,4'-isopropylidenediphenoxy)bisphthalic dianhydride|Dtxsid3028001","logHenry":-8.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.88,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.794,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.729,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.8,"MP.Reference":"EPA-CCD-OPERA","MW":520.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38103-06-9"}
{"Compound":"Potassium chlorate","CAS":"3811-04-9","CAS.Checksum":true,"DTXSID":"DTXSID6047448","Formula":"ClKO3","All.Compound.Names":"Potassium chlorate","MW":122.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3811-04-9"}
{"Compound":"Sodium (2-pyridylthio)-n-oxide","CAS":"3811-73-2","CAS.Checksum":true,"DTXSID":"DTXSID3042390","Formula":"C5H4NNaOS","All.Compound.Names":"Sodium (2-pyridylthio)-n-oxide|Dtxsid3042390|3811-73-2","logHenry":-7.276,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.243,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.251,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.813,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.9,"MP.Reference":"EPA-CCD-OPERA","MW":149.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-6.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3811-73-2"}
{"Compound":"Butyl-n-(4-hydroxybutyl)nitrosamine","CAS":"3817-11-6","CAS.Checksum":true,"DTXSID":"DTXSID2020210","Formula":"C8H18N2O2","All.Compound.Names":"Butyl-n-(4-hydroxybutyl)nitrosamine|Dtxsid2020210|3817-11-6","logHenry":-5.233,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.038,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.218,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1648,"logWSol.Reference":"EPA-CCD-OPERA","MP":36.06,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3817-11-6"}
{"Compound":"Phenoxypropazine","CAS":"3818-37-9","CAS.Checksum":true,"DTXSID":"DTXSID1048837","Formula":"C9H14N2O","All.Compound.Names":"Phenoxypropazine|Dtxsid1048837|3818-37-9","logHenry":-6.503,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.302,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.296,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7736,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.13,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3818-37-9"}
{"Compound":"Piperacetazine","CAS":"3819-00-9","CAS.Checksum":true,"DTXSID":"DTXSID7023481","Formula":"C24H30N2O2S","All.Compound.Names":"Piperacetazine|Dtxsid7023481|3819-00-9","logHenry":-9.57,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.539,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.734,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.396,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.3,"MP.Reference":"EPA-CCD-OPERA","MW":410.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3819-00-9"}
{"Compound":"Sulindac","CAS":"38194-50-2","CAS.Checksum":true,"DTXSID":"DTXSID4023624","Formula":"C20H17FO3S","All.Compound.Names":"Sulindac|38194-50-2|Dtxsid4023624","logHenry":-7.995,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.42,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.913,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.714,"logWSol.Reference":"EPA-CCD-OPERA","MP":183,"MP.Reference":"EPA-CCD-OPERA","MW":356.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"14.1,6.26,31.8","Human.Caco2.Pab.Reference":"Lanevskij","Human.Foral":0.88,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"38194-50-2"}
{"Compound":"Desoximetasone","CAS":"382-67-2","CAS.Checksum":true,"DTXSID":"DTXSID3045647","Formula":"C22H29FO4","All.Compound.Names":"Desoximetasone|Dtxsid3045647|382-67-2","logHenry":-11.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.35,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.038,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.605,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.8,"MP.Reference":"EPA-CCD-OPERA","MW":376.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"382-67-2"}
{"Compound":"5-acetyl-2,4-dimethylthiazole","CAS":"38205-60-6","CAS.Checksum":true,"DTXSID":"DTXSID8047680","Formula":"C7H9NOS","All.Compound.Names":"5-acetyl-2,4-dimethylthiazole|1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone|Dtxsid8047680|38205-60-6","logHenry":-7.344,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.305,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.926,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.774,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.345,"MP.Reference":"EPA-CCD-OPERA","MW":155.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38205-60-6"}
{"Compound":"1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide","CAS":"382150-50-7","CAS.Checksum":true,"DTXSID":"DTXSID4049290","Formula":"C12H19F6N3O4S2","All.Compound.Names":"1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide","MW":447.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"382150-50-7"}
{"Compound":"Fertirelin","CAS":"38234-21-8","CAS.Checksum":true,"DTXSID":"DTXSID8057728","Formula":"C55H76N16O12","All.Compound.Names":"Fertirelin|Dtxsid8057728|38234-21-8","logHenry":-10.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.33,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.31,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.414,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.4,"MP.Reference":"EPA-CCD-OPERA","MW":1153,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38234-21-8"}
{"Compound":"Etrimfos","CAS":"38260-54-7","CAS.Checksum":true,"DTXSID":"DTXSID7041964","Formula":"C10H17N2O4PS","All.Compound.Names":"Etrimfos|Dtxsid7041964|38260-54-7","logHenry":-6.497,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4216,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.479,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.861,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.291,"MP.Reference":"EPA-CCD-OPERA","MW":292.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38260-54-7"}
{"Compound":"Ethyl trifluoroacetate","CAS":"383-63-1","CAS.Checksum":true,"DTXSID":"DTXSID8041959","Formula":"C4H5F3O2","All.Compound.Names":"Ethyl trifluoroacetate|Dtxsid8041959","logHenry":-3.894,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.179,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.093,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5998,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.75,"MP.Reference":"EPA-CCD-OPERA","MW":142.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"383-63-1"}
{"Compound":"Noristerat","CAS":"3836-23-5","CAS.Checksum":true,"DTXSID":"DTXSID2048664","Formula":"C27H38O3","All.Compound.Names":"Noristerat|Dtxsid2048664","logHenry":-7.102,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.3,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.405,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.578,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.1,"MP.Reference":"EPA-CCD-OPERA","MW":410.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3836-23-5"}
{"Compound":"Penbutolol sulfate","CAS":"38363-32-5","CAS.Checksum":true,"DTXSID":"DTXSID5045467","Formula":"C36H60N2O8S","All.Compound.Names":"Penbutolol sulfate|Dtxsid5045467|38363-32-5","logHenry":-6.934,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2765,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.841,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.62,"logWSol.Reference":"EPA-CCD-OPERA","MP":151,"MP.Reference":"EPA-CCD-OPERA","MW":680.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38363-32-5"}
{"Compound":"Ganaxolone","CAS":"38398-32-2","CAS.Checksum":true,"DTXSID":"DTXSID6046503","Formula":"C22H36O2","All.Compound.Names":"Ganaxolone|Dtxsid6046503|38398-32-2","logHenry":-8.409,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.276,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.549,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.622,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.6,"MP.Reference":"EPA-CCD-OPERA","MW":332.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38398-32-2"}
{"Compound":"1-nitro-2-(trifluoromethyl)benzene","CAS":"384-22-5","CAS.Checksum":true,"DTXSID":"DTXSID4025793","Formula":"C7H4F3NO2","All.Compound.Names":"1-nitro-2-(trifluoromethyl)benzene|Dtxsid4025793","logHenry":-3.013,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.58,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.05,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.895,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.34,"MP.Reference":"EPA-CCD-OPERA","MW":191.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"384-22-5"}
{"Compound":"Fd&c blue no. 1","CAS":"3844-45-9","CAS.Checksum":true,"DTXSID":"DTXSID2020189","Formula":"C37H34N2Na2O9S3","All.Compound.Names":"Fd&c blue no. 1|Dtxsid2020189|3844-45-9","logHenry":-9.068,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.538,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.068,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.958,"logWSol.Reference":"EPA-CCD-OPERA","MP":233.1,"MP.Reference":"EPA-CCD-OPERA","MW":792.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3844-45-9"}
{"Compound":"P-mentha-8-thiol-3-one","CAS":"38462-22-5","CAS.Checksum":true,"DTXSID":"DTXSID2047195","Formula":"C10H18OS","All.Compound.Names":"P-mentha-8-thiol-3-one|Dtxsid2047195|38462-22-5","logHenry":-5.716,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.062,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.725,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.528,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.651,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.37","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38462-22-5"}
{"Compound":"2,3-hexanedione","CAS":"3848-24-6","CAS.Checksum":true,"DTXSID":"DTXSID2047066","Formula":"C6H10O2","All.Compound.Names":"2,3-hexanedione|Dtxsid2047066","logHenry":-6.153,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7512,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.974,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5763,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.935,"MP.Reference":"EPA-CCD-OPERA","MW":114.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3848-24-6"}
{"Compound":"Methyl 3-methoxypropionate","CAS":"3852-09-3","CAS.Checksum":true,"DTXSID":"DTXSID3052060","Formula":"C5H10O3","All.Compound.Names":"Methyl 3-methoxypropionate|Dtxsid3052060","logHenry":-4.41,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2399,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.495,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7977,"logWSol.Reference":"EPA-CCD-OPERA","MP":-64.29,"MP.Reference":"EPA-CCD-OPERA","MW":118.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3852-09-3"}
{"Compound":"Dinoprost tromethamine","CAS":"38562-01-5","CAS.Checksum":true,"DTXSID":"DTXSID1045582","Formula":"C24H45NO8","All.Compound.Names":"Dinoprost tromethamine|Dtxsid1045582|38562-01-5","logHenry":-9.978,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.697,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.713,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.139,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.3,"MP.Reference":"EPA-CCD-OPERA","MW":475.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38562-01-5"}
{"Compound":"Chloroprocaine hydrochloride","CAS":"3858-89-7","CAS.Checksum":true,"DTXSID":"DTXSID6048595","Formula":"C13H20Cl2N2O2","All.Compound.Names":"Chloroprocaine hydrochloride|Dtxsid6048595|3858-89-7","logHenry":-8.982,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4716,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.61,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.581,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.9,"MP.Reference":"EPA-CCD-OPERA","MW":307.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3858-89-7"}
{"Compound":"Iodophthalein","CAS":"386-17-4","CAS.Checksum":true,"DTXSID":"DTXSID7048291","Formula":"C20H10I4O4","All.Compound.Names":"Iodophthalein|Dtxsid7048291|386-17-4","logHenry":-4.657,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.635,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.062,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.994,"logWSol.Reference":"EPA-CCD-OPERA","MP":246.9,"MP.Reference":"EPA-CCD-OPERA","MW":821.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"386-17-4"}
{"Compound":"Cridanimod","CAS":"38609-97-1","CAS.Checksum":true,"DTXSID":"DTXSID6046557","Formula":"C15H11NO3","All.Compound.Names":"Cridanimod|Dtxsid6046557|38609-97-1","logHenry":-9.014,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.58,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.773,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.212,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.8,"MP.Reference":"EPA-CCD-OPERA","MW":253.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38609-97-1"}
{"Compound":"Anazolene sodium","CAS":"3861-73-2","CAS.Checksum":true,"DTXSID":"DTXSID9046578","Formula":"C26H16N3Na3O10S3","All.Compound.Names":"Anazolene sodium|Dtxsid9046578|3861-73-2","logHenry":-9.666,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.876,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.662,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4082,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.9,"MP.Reference":"EPA-CCD-OPERA","MW":695.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3861-73-2"}
{"Compound":"1,3-bis(isocyanatomethyl)cyclohexane","CAS":"38661-72-2","CAS.Checksum":true,"DTXSID":"DTXSID6044933","Formula":"C10H14N2O2","All.Compound.Names":"1,3-bis(isocyanatomethyl)cyclohexane|Dtxsid6044933|38661-72-2","logHenry":-5.995,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7191,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.716,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.476,"logWSol.Reference":"EPA-CCD-OPERA","MP":66.08,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38661-72-2"}
{"Compound":"1-piperidinocyclohexanecarbonitrile","CAS":"3867-15-0","CAS.Checksum":true,"DTXSID":"DTXSID1046184","Formula":"C12H20N2","All.Compound.Names":"1-piperidinocyclohexanecarbonitrile|Dtxsid1046184|3867-15-0","logHenry":-4.081,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.342,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.534,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9759,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.58,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3867-15-0"}
{"Compound":"Nonylparaben","CAS":"38713-56-3","CAS.Checksum":true,"DTXSID":"DTXSID9047885","Formula":"C16H24O3","All.Compound.Names":"Nonylparaben|Dtxsid9047885|38713-56-3","logHenry":-8.932,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.645,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.689,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.965,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.32,"MP.Reference":"EPA-CCD-OPERA","MW":264.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38713-56-3"}
{"Compound":"5-(hydroxymethyl-2-furoyl)glycine","CAS":"38716-68-6","CAS.Checksum":true,"DTXSID":"DTXSID5033096","Formula":"C8H9NO5","All.Compound.Names":"5-(hydroxymethyl-2-furoyl)glycine|Dtxsid5033096|38716-68-6","logHenry":-9.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.159,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.162,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.318,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.9,"MP.Reference":"EPA-CCD-OPERA","MW":199.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38716-68-6"}
{"Compound":"4-chloro-1-(4-fluorophenyl)-1-butanone","CAS":"3874-54-2","CAS.Checksum":true,"DTXSID":"DTXSID3057729","Formula":"C10H10ClFO","All.Compound.Names":"4-chloro-1-(4-fluorophenyl)-1-butanone|4-chloro-4'-fluorobutyrophenone|Dtxsid3057729","logHenry":-6.198,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.761,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.332,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.001,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.807,"MP.Reference":"EPA-CCD-OPERA","MW":200.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3874-54-2"}
{"Compound":"Fuberidazole","CAS":"3878-19-1","CAS.Checksum":true,"DTXSID":"DTXSID4041995","Formula":"C11H8N2O","All.Compound.Names":"Fuberidazole|Dtxsid4041995|3878-19-1","logHenry":-6.852,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.669,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.714,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.406,"logWSol.Reference":"EPA-CCD-OPERA","MP":131,"MP.Reference":"EPA-CCD-OPERA","MW":184.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3878-19-1"}
{"Compound":"Monomethyl succinate","CAS":"3878-55-5","CAS.Checksum":true,"DTXSID":"DTXSID7044425","Formula":"C5H8O4","All.Compound.Names":"Monomethyl succinate|Dtxsid7044425|3878-55-5","logHenry":-7.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1672,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.742,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3431,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.86,"MP.Reference":"EPA-CCD-OPERA","MW":132.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3878-55-5"}
{"Compound":"1-ethylpyridinium trifluoromethanesulfonate","CAS":"3878-80-6","CAS.Checksum":true,"DTXSID":"DTXSID9049291","Formula":"C8H10F3NO3S","All.Compound.Names":"1-ethylpyridinium trifluoromethanesulfonate|Dtxsid9049291|3878-80-6","logHenry":-2.455,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7543,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.155,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.21,"logWSol.Reference":"EPA-CCD-OPERA","MP":159,"MP.Reference":"EPA-CCD-OPERA","MW":257.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3878-80-6"}
{"Compound":"Tandutinib","CAS":"387867-13-2","CAS.Checksum":true,"DTXSID":"DTXSID8048947","Formula":"C31H42N6O4","All.Compound.Names":"Tandutinib|Dtxsid8048947|387867-13-2","logHenry":-7.297,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.753,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.625,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.657,"logWSol.Reference":"EPA-CCD-OPERA","MP":225.6,"MP.Reference":"EPA-CCD-OPERA","MW":562.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.9947","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"387867-13-2"}
{"Compound":"Indoramin hydrochloride","CAS":"38821-52-2","CAS.Checksum":true,"DTXSID":"DTXSID1046504","Formula":"C22H26ClN3O","All.Compound.Names":"Indoramin hydrochloride|Dtxsid1046504|38821-52-2","logHenry":-8.344,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.126,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.372,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.867,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.9,"MP.Reference":"EPA-CCD-OPERA","MW":383.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38821-52-2"}
{"Compound":"2,3-dichloro-p-dioxane","CAS":"3883-43-0","CAS.Checksum":true,"DTXSID":"DTXSID7020421","Formula":"C4H6Cl2O2","All.Compound.Names":"2,3-dichloro-p-dioxane|Dtxsid7020421","logHenry":-5.028,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.258,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.687,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7571,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.03,"MP.Reference":"EPA-CCD-OPERA","MW":157,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3883-43-0"}
{"Compound":"Somatostatin","CAS":"38916-34-6","CAS.Checksum":true,"DTXSID":"DTXSID8046793","Formula":"C76H104N18O19S2","All.Compound.Names":"Somatostatin|Dtxsid8046793|38916-34-6","logHenry":-10.56,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.521,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.131,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.766,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.7,"MP.Reference":"EPA-CCD-OPERA","MW":1638,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38916-34-6"}
{"Compound":"Emorfazone","CAS":"38957-41-4","CAS.Checksum":true,"DTXSID":"DTXSID0022981","Formula":"C11H17N3O3","All.Compound.Names":"Emorfazone|Dtxsid0022981|38957-41-4","logHenry":-8.683,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.07359,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.361,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.735,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.01,"MP.Reference":"EPA-CCD-OPERA","MW":239.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38957-41-4"}
{"Compound":"Prasugrel hydrochloride","CAS":"389574-19-0","CAS.Checksum":true,"DTXSID":"DTXSID1049067","Formula":"C20H21ClFNO3S","All.Compound.Names":"Prasugrel hydrochloride|Dtxsid1049067|389574-19-0","logHenry":-8.229,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5137,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.17,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.769,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.58,"MP.Reference":"EPA-CCD-OPERA","MW":409.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"389574-19-0"}
{"Compound":"Bumetrizole","CAS":"3896-11-5","CAS.Checksum":true,"DTXSID":"DTXSID9036438","Formula":"C17H18ClN3O","All.Compound.Names":"Bumetrizole|Dtxsid9036438|3896-11-5","logHenry":-8.014,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.75,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.245,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.143,"logWSol.Reference":"EPA-CCD-OPERA","MP":154,"MP.Reference":"EPA-CCD-OPERA","MW":315.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3896-11-5"}
{"Compound":"Trioxsalen","CAS":"3902-71-4","CAS.Checksum":true,"DTXSID":"DTXSID3023716","Formula":"C14H12O3","All.Compound.Names":"Trioxsalen|Dtxsid3023716|3902-71-4","logHenry":-8.423,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.144,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.638,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.812,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.82,"MP.Reference":"EPA-CCD-OPERA","MW":228.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3902-71-4"}
{"Compound":"Guggulsterones z","CAS":"39025-23-5","CAS.Checksum":true,"DTXSID":"DTXSID1033539","Formula":"C21H28O2","All.Compound.Names":"Guggulsterones z|Guggulsterone z|Dtxsid1033539","logHenry":-5.37,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.606,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.981,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.233,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.4,"MP.Reference":"EPA-CCD-OPERA","MW":312.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39025-23-5"}
{"Compound":"Guggulsterones e","CAS":"39025-24-6","CAS.Checksum":true,"DTXSID":"DTXSID6033538","Formula":"C21H28O2","All.Compound.Names":"Guggulsterones e|Guggulsterone e|Dtxsid6033538","logHenry":-5.37,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.606,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.981,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.233,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.4,"MP.Reference":"EPA-CCD-OPERA","MW":312.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39025-24-6"}
{"Compound":"1-butylpyridinium trifluoromethanesulfonate","CAS":"390423-43-5","CAS.Checksum":true,"DTXSID":"DTXSID4049292","Formula":"C10H14F3NO3S","All.Compound.Names":"1-butylpyridinium trifluoromethanesulfonate|Dtxsid4049292|390423-43-5","logHenry":-2.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7513,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.11,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.761,"logWSol.Reference":"EPA-CCD-OPERA","MP":159,"MP.Reference":"EPA-CCD-OPERA","MW":285.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"390423-43-5"}
{"Compound":"Pd 0325901","CAS":"391210-10-9","CAS.Checksum":true,"DTXSID":"DTXSID0044024","Formula":"C16H14F3IN2O4","All.Compound.Names":"Pd 0325901|Dtxsid0044024|391210-10-9","logHenry":-9.913,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.997,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.434,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.968,"logWSol.Reference":"EPA-CCD-OPERA","MP":256,"MP.Reference":"EPA-CCD-OPERA","MW":482.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.744","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"391210-10-9"}
{"Compound":"2-butyloctan-1-ol","CAS":"3913-02-8","CAS.Checksum":true,"DTXSID":"DTXSID0044818","Formula":"C12H26O","All.Compound.Names":"2-butyloctan-1-ol|2-butyl-1-octanol|Dtxsid0044818|3913-02-8","logHenry":-4.716,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.816,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.615,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.118,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.54,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.658","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"1,1,1","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"3913-02-8"}
{"Compound":"(2e)-2-decenal","CAS":"3913-81-3","CAS.Checksum":true,"DTXSID":"DTXSID5047035","Formula":"C10H18O","All.Compound.Names":"(2e)-2-decenal|Dtxsid5047035","logHenry":-3.201,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.54,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.519,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.631,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.6685,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3913-81-3"}
{"Compound":"2,4-diaminoanisole sulfate","CAS":"39156-41-7","CAS.Checksum":true,"DTXSID":"DTXSID7020398","Formula":"C7H12N2O5S","All.Compound.Names":"2,4-diaminoanisole sulfate|C.i. oxidation base 12a|Dtxsid7020398|39156-41-7","logHenry":-6.961,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6344,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.208,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3895,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.8,"MP.Reference":"EPA-CCD-OPERA","MW":236.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39156-41-7"}
{"Compound":"Thiofanox","CAS":"39196-18-4","CAS.Checksum":true,"DTXSID":"DTXSID4042468","Formula":"C9H18N2O2S","All.Compound.Names":"Thiofanox|3,3-dimethyl-1-(methylthio)butanone-o-(n-methylcarbamoyl)oxime|Dtxsid4042468|39196-18-4","logHenry":-7.634,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.745,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.775,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.621,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.03,"MP.Reference":"EPA-CCD-OPERA","MW":218.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39196-18-4"}
{"Compound":"Indole-3-pyruvic acid","CAS":"392-12-1","CAS.Checksum":true,"DTXSID":"DTXSID3042053","Formula":"C11H9NO3","All.Compound.Names":"Indole-3-pyruvic acid|Dtxsid3042053|392-12-1","logHenry":-10.38,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.52,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.832,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.889,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.6,"MP.Reference":"EPA-CCD-OPERA","MW":203.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"392-12-1"}
{"Compound":"Promestriene","CAS":"39219-28-8","CAS.Checksum":true,"DTXSID":"DTXSID2057730","Formula":"C22H32O2","All.Compound.Names":"Promestriene|Dtxsid2057730","logHenry":-6.142,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.097,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.557,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.888,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.4,"MP.Reference":"EPA-CCD-OPERA","MW":328.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39219-28-8"}
{"Compound":"4,5-dihydroxy-1,3-dimethylimidazolidin-2-one","CAS":"3923-79-3","CAS.Checksum":true,"DTXSID":"DTXSID1044934","Formula":"C5H10N2O3","All.Compound.Names":"4,5-dihydroxy-1,3-dimethylimidazolidin-2-one|Dtxsid1044934|3923-79-3","logHenry":-8.982,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9919,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.833,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1478,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.6,"MP.Reference":"EPA-CCD-OPERA","MW":146.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3923-79-3"}
{"Compound":"Imidazolidinyl urea","CAS":"39236-46-9","CAS.Checksum":true,"DTXSID":"DTXSID2040151","Formula":"C11H16N8O8","All.Compound.Names":"Imidazolidinyl urea|Dtxsid2040151|39236-46-9","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8597,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.44,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.716,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.9,"MP.Reference":"EPA-CCD-OPERA","MW":388.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39236-46-9"}
{"Compound":"Ethyl 2-methylpentanoate","CAS":"39255-32-8","CAS.Checksum":true,"DTXSID":"DTXSID7047198","Formula":"C8H16O2","All.Compound.Names":"Ethyl 2-methylpentanoate|Dtxsid7047198","logHenry":-3.364,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.543,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.397,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.129,"logWSol.Reference":"EPA-CCD-OPERA","MP":-73.15,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39255-32-8"}
{"Compound":"Sodium chloroacetate","CAS":"3926-62-3","CAS.Checksum":true,"DTXSID":"DTXSID1027550","Formula":"C2H2ClNaO2","All.Compound.Names":"Sodium chloroacetate|Dtxsid1027550|3926-62-3","logHenry":-8.031,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.036,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.094,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.938,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.9,"MP.Reference":"EPA-CCD-OPERA","MW":116.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3926-62-3"}
{"Compound":"3-trifluoromethyl-4-nitroanilide","CAS":"393-11-3","CAS.Checksum":true,"DTXSID":"DTXSID7057731","Formula":"C7H5F3N2O2","All.Compound.Names":"3-trifluoromethyl-4-nitroanilide|Dtxsid7057731|393-11-3","logHenry":-7.741,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.081,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.182,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.543,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.1,"MP.Reference":"EPA-CCD-OPERA","MW":206.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"393-11-3"}
{"Compound":"2-fluorobenzoyl chloride","CAS":"393-52-2","CAS.Checksum":true,"DTXSID":"DTXSID3025330","Formula":"C7H4ClFO","All.Compound.Names":"2-fluorobenzoyl chloride|Dtxsid3025330","logHenry":-6.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.255,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.331,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.477,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.534,"MP.Reference":"EPA-CCD-OPERA","MW":158.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"393-52-2"}
{"Compound":"2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene","CAS":"393-75-9","CAS.Checksum":true,"DTXSID":"DTXSID8024781","Formula":"C7H2ClF3N2O4","All.Compound.Names":"2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene|4-chloro-3,5-dinitrobenzotrifluoride|Dtxsid8024781","logHenry":-3.612,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.499,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.582,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.141,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.02,"MP.Reference":"EPA-CCD-OPERA","MW":270.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"393-75-9"}
{"Compound":"Dinocap","CAS":"39300-45-3","CAS.Checksum":true,"DTXSID":"DTXSID3040352","All.Compound.Names":"Dinocap","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39300-45-3"}
{"Compound":"Pyrimidine,2,4-dichloro-","CAS":"3934-20-1","CAS.Checksum":true,"DTXSID":"DTXSID9049293","Formula":"C4H2Cl2N2","All.Compound.Names":"Pyrimidine,2,4-dichloro-|2,4-dichloropyrimidine|Dtxsid9049293|3934-20-1","logHenry":-6.205,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.063,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.386,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8267,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.39,"MP.Reference":"EPA-CCD-OPERA","MW":149,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3934-20-1"}
{"Compound":"Dexamethazone metasulfobenzoate sodium","CAS":"3936-02-5","CAS.Checksum":true,"DTXSID":"DTXSID5046722","Formula":"C29H32FNaO9S","All.Compound.Names":"Dexamethazone metasulfobenzoate sodium|Dtxsid5046722|3936-02-5","logHenry":-10.95,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.361,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.115,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.328,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.1,"MP.Reference":"EPA-CCD-OPERA","MW":598.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3936-02-5"}
{"Compound":"Sodium aurothiomalate hydrate","CAS":"39377-38-3","CAS.Checksum":true,"DTXSID":"DTXSID9048986","Formula":"C4H5AuNa2O5S","All.Compound.Names":"Sodium aurothiomalate hydrate","MW":408.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39377-38-3"}
{"Compound":"Ethylpivalate","CAS":"3938-95-2","CAS.Checksum":true,"DTXSID":"DTXSID4049294","Formula":"C7H14O2","All.Compound.Names":"Ethylpivalate|Dtxsid4049294","logHenry":-3.396,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.257,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.651,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.711,"logWSol.Reference":"EPA-CCD-OPERA","MP":-89.44,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3938-95-2"}
{"Compound":"Ethyl protocatechuate","CAS":"3943-89-3","CAS.Checksum":true,"DTXSID":"DTXSID2057732","Formula":"C9H10O4","All.Compound.Names":"Ethyl protocatechuate|Dtxsid2057732|3943-89-3","logHenry":-9.608,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9388,"logP.Reference":"EPA-CCD-OPERA","logPwa":7,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.441,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.2,"MP.Reference":"EPA-CCD-OPERA","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3943-89-3"}
{"Compound":"Chromium acetate, basic","CAS":"39430-51-8","CAS.Checksum":true,"DTXSID":"DTXSID6044935","All.Compound.Names":"Chromium acetate, basic","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39430-51-8"}
{"Compound":"(e)-3-(2-furyl)acrolein","CAS":"39511-08-5","CAS.Checksum":true,"DTXSID":"DTXSID9049295","Formula":"C7H6O2","All.Compound.Names":"(e)-3-(2-furyl)acrolein|Dtxsid9049295|39511-08-5","logHenry":-6.485,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.152,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.782,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.088,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.81,"MP.Reference":"EPA-CCD-OPERA","MW":122.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39511-08-5"}
{"Compound":"4-(4-chlorophenyl)-4-piperidinol","CAS":"39512-49-7","CAS.Checksum":true,"DTXSID":"DTXSID7057733","Formula":"C11H14ClNO","All.Compound.Names":"4-(4-chlorophenyl)-4-piperidinol|Dtxsid7057733|39512-49-7","logHenry":-8.537,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.879,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.565,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.8,"MP.Reference":"EPA-CCD-OPERA","MW":211.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39512-49-7"}
{"Compound":"1-(2-chlorophenyl)piperazine","CAS":"39512-50-0","CAS.Checksum":true,"DTXSID":"DTXSID2057734","Formula":"C10H13ClN2","All.Compound.Names":"1-(2-chlorophenyl)piperazine|Dtxsid2057734|39512-50-0","logHenry":-8.568,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.129,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.157,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.946,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.71,"MP.Reference":"EPA-CCD-OPERA","MW":196.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39512-50-0"}
{"Compound":"Cyphenothrin","CAS":"39515-40-7","CAS.Checksum":true,"DTXSID":"DTXSID4032536","Formula":"C24H25NO3","All.Compound.Names":"Cyphenothrin|Dtxsid4032536","logHenry":-7.667,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.946,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.82,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.569,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.8,"MP.Reference":"EPA-CCD-OPERA","MW":375.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39515-40-7"}
{"Compound":"3-phenoxybenzaldehyde","CAS":"39515-51-0","CAS.Checksum":true,"DTXSID":"DTXSID3028005","Formula":"C13H10O2","All.Compound.Names":"3-phenoxybenzaldehyde|Dtxsid3028005","logHenry":-4.079,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.38,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.056,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.649,"logWSol.Reference":"EPA-CCD-OPERA","MP":36.71,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39515-51-0"}
{"Compound":"Trepipam maleate","CAS":"39624-66-3","CAS.Checksum":true,"DTXSID":"DTXSID3045803","Formula":"C23H27NO6","All.Compound.Names":"Trepipam maleate|Dtxsid3045803|39624-66-3","logHenry":-5.284,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6671,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.951,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.71,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.2,"MP.Reference":"EPA-CCD-OPERA","MW":413.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.78","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39624-66-3"}
{"Compound":"Methacycline hydrochloride","CAS":"3963-95-9","CAS.Checksum":true,"DTXSID":"DTXSID5045382","Formula":"C22H23ClN2O8","All.Compound.Names":"Methacycline hydrochloride|Dtxsid5045382|3963-95-9","logHenry":-11.22,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3373,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.791,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.773,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.9,"MP.Reference":"EPA-CCD-OPERA","MW":478.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3963-95-9"}
{"Compound":"Azatadine","CAS":"3964-81-6","CAS.Checksum":true,"DTXSID":"DTXSID6022636","Formula":"C20H22N2","All.Compound.Names":"Azatadine|Dtxsid6022636|3964-81-6","logHenry":-6.699,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.589,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.316,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.315,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.4,"MP.Reference":"EPA-CCD-OPERA","MW":290.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3964-81-6"}
{"Compound":"Sodium 3,5-bis(methoxycarbonyl)benzenesulfonate","CAS":"3965-55-7","CAS.Checksum":true,"DTXSID":"DTXSID6027551","Formula":"C10H9NaO7S","All.Compound.Names":"Sodium 3,5-bis(methoxycarbonyl)benzenesulfonate|Dtxsid6027551|3965-55-7","logHenry":-10.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.056,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.69,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8941,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.4,"MP.Reference":"EPA-CCD-OPERA","MW":296.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3965-55-7"}
{"Compound":"2,2-dimethyl-3-pentanol","CAS":"3970-62-5","CAS.Checksum":true,"DTXSID":"DTXSID0032813","Formula":"C7H16O","All.Compound.Names":"2,2-dimethyl-3-pentanol|Dtxsid0032813|3970-62-5","logHenry":-4.694,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.943,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.57,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.151,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.184,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3970-62-5"}
{"Compound":"N-ethyl-4-menthane-3-carboxamide","CAS":"39711-79-0","CAS.Checksum":true,"DTXSID":"DTXSID5047039","Formula":"C13H25NO","All.Compound.Names":"N-ethyl-4-menthane-3-carboxamide|N-ethyl-2-(isopropyl)-5-methylcyclohexanecarboxamide|Dtxsid5047039|39711-79-0","logHenry":-7.176,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.888,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.266,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.382,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.98,"MP.Reference":"EPA-CCD-OPERA","MW":211.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39711-79-0"}
{"Compound":"Sdz 21009","CAS":"39731-05-0","CAS.Checksum":true,"DTXSID":"DTXSID3049041","Formula":"C19H28N2O4","All.Compound.Names":"Sdz 21009|Dtxsid3049041|39731-05-0","logHenry":-8.976,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.75,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.548,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.778,"logWSol.Reference":"EPA-CCD-OPERA","MP":134,"MP.Reference":"EPA-CCD-OPERA","MW":348.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39731-05-0"}
{"Compound":"Mebanazine","CAS":"3979-76-8","CAS.Checksum":true,"DTXSID":"DTXSID4048808","Formula":"C8H14N2O4S","All.Compound.Names":"Mebanazine|Mebanazine sulfate|Dtxsid4048808|3979-76-8","logHenry":-6.961,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6364,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.546,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.775,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.9,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3979-76-8"}
{"Compound":"4-hydroperoxy cyclophosphamide","CAS":"39800-16-3","CAS.Checksum":true,"DTXSID":"DTXSID2049058","Formula":"C7H15Cl2N2O4P","All.Compound.Names":"4-hydroperoxy cyclophosphamide|Dtxsid2049058|39800-16-3","logHenry":-7.27,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.203,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.181,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4197,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.1,"MP.Reference":"EPA-CCD-OPERA","MW":293.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39800-16-3"}
{"Compound":"Talampicillin hydrochloride","CAS":"39878-70-1","CAS.Checksum":true,"DTXSID":"DTXSID0045468","Formula":"C24H24ClN3O6S","All.Compound.Names":"Talampicillin hydrochloride|Dtxsid0045468|39878-70-1","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9329,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.773,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.517,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.6,"MP.Reference":"EPA-CCD-OPERA","MW":518,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39878-70-1"}
{"Compound":"Etizolam","CAS":"40054-69-1","CAS.Checksum":true,"DTXSID":"DTXSID0023030","Formula":"C17H15ClN4S","All.Compound.Names":"Etizolam|Dtxsid0023030|40054-69-1","logHenry":-8.202,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.836,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.859,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.265,"logWSol.Reference":"EPA-CCD-OPERA","MP":190,"MP.Reference":"EPA-CCD-OPERA","MW":342.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"40054-69-1"}
{"Compound":"Aviptadil","CAS":"40077-57-4","CAS.Checksum":true,"DTXSID":"DTXSID7048584","All.Compound.Names":"Aviptadil","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"40077-57-4"}
{"Compound":"Nitroxoline","CAS":"4008-48-4","CAS.Checksum":true,"DTXSID":"DTXSID4046284","Formula":"C9H6N2O3","All.Compound.Names":"Nitroxoline|Dtxsid4046284|4008-48-4","logHenry":-8.233,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.986,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.456,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.521,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.9,"MP.Reference":"EPA-CCD-OPERA","MW":190.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4008-48-4"}
{"Compound":"Quazodine","CAS":"4015-32-1","CAS.Checksum":true,"DTXSID":"DTXSID4046232","Formula":"C12H14N2O2","All.Compound.Names":"Quazodine|Dtxsid4046232|4015-32-1","logHenry":-6.6,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.272,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.544,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.358,"logWSol.Reference":"EPA-CCD-OPERA","MP":110,"MP.Reference":"EPA-CCD-OPERA","MW":218.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4015-32-1"}
{"Compound":"Isopropyl glycidyl ether","CAS":"4016-14-2","CAS.Checksum":true,"DTXSID":"DTXSID6025480","Formula":"C6H12O2","All.Compound.Names":"Isopropyl glycidyl ether|Dtxsid6025480","logHenry":-4.038,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5883,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.068,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.02058,"logWSol.Reference":"EPA-CCD-OPERA","MP":-41.6,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4016-14-2"}
{"Compound":"1-(2-furoyl)piperazine","CAS":"40172-95-0","CAS.Checksum":true,"DTXSID":"DTXSID7057735","Formula":"C9H12N2O2","All.Compound.Names":"1-(2-furoyl)piperazine|Dtxsid7057735|40172-95-0","logHenry":-8.086,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2221,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.227,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2767,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.56,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"40172-95-0"}
{"Compound":"1-butyl-4-methylpyridinium hexafluorophosphate","CAS":"401788-99-6","CAS.Checksum":true,"DTXSID":"DTXSID4049296","Formula":"C10H16F6NP","All.Compound.Names":"1-butyl-4-methylpyridinium hexafluorophosphate|Dtxsid4049296|401788-99-6","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7098,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.783,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.5,"MP.Reference":"EPA-CCD-OPERA","MW":295.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"401788-99-6"}
{"Compound":"Ticrynafen","CAS":"40180-04-9","CAS.Checksum":true,"DTXSID":"DTXSID4023670","Formula":"C13H8Cl2O4S","All.Compound.Names":"Ticrynafen|Dtxsid4023670|40180-04-9","logHenry":-8.123,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.015,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.05,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.49,"logWSol.Reference":"EPA-CCD-OPERA","MP":149,"MP.Reference":"EPA-CCD-OPERA","MW":331.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"40180-04-9"}
{"Compound":"5-acetylsalicylamide","CAS":"40187-51-7","CAS.Checksum":true,"DTXSID":"DTXSID2057736","Formula":"C9H9NO3","All.Compound.Names":"5-acetylsalicylamide|Dtxsid2057736|40187-51-7","logHenry":-9.984,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5651,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.567,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.813,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.4,"MP.Reference":"EPA-CCD-OPERA","MW":179.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"40187-51-7"}
{"Compound":"3'-acetyl-4'-hydroxybutyranilide","CAS":"40188-45-2","CAS.Checksum":true,"DTXSID":"DTXSID7057737","Formula":"C12H15NO3","All.Compound.Names":"3'-acetyl-4'-hydroxybutyranilide|Dtxsid7057737|40188-45-2","logHenry":-9.664,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.151,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.267,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.446,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.2,"MP.Reference":"EPA-CCD-OPERA","MW":221.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"40188-45-2"}
{"Compound":"Praxadine hydrochloride","CAS":"4023-02-3","CAS.Checksum":true,"DTXSID":"DTXSID0046517","Formula":"C4H7ClN4","All.Compound.Names":"Praxadine hydrochloride|Dtxsid0046517|4023-02-3","logHenry":-8.325,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.982,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.901,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8798,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.4,"MP.Reference":"EPA-CCD-OPERA","MW":146.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4023-02-3"}
{"Compound":"Trans-aconitic acid","CAS":"4023-65-8","CAS.Checksum":true,"DTXSID":"DTXSID1048706","Formula":"C6H6O6","All.Compound.Names":"Trans-aconitic acid|Dtxsid1048706|4023-65-8","logHenry":-10.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2224,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.113,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3798,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.2,"MP.Reference":"EPA-CCD-OPERA","MW":174.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4023-65-8"}
{"Compound":"1-butyl-2,3-dimethylimidazolium tetrafluoroborate","CAS":"402846-78-0","CAS.Checksum":true,"DTXSID":"DTXSID0047909","Formula":"C9H17BF4N2","All.Compound.Names":"1-butyl-2,3-dimethylimidazolium tetrafluoroborate|Dtxsid0047909|402846-78-0","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6165,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.167,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.848,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.1,"MP.Reference":"EPA-CCD-OPERA","MW":240,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"402846-78-0"}
{"Compound":"Uk-416244","CAS":"402910-27-4","CAS.Checksum":true,"DTXSID":"DTXSID0047290","Formula":"C17H22N2O3S2","All.Compound.Names":"Uk-416244|Dtxsid0047290|402910-27-4","logHenry":-8.702,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.463,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.107,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.622,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.5,"MP.Reference":"EPA-CCD-OPERA","MW":366.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"402910-27-4"}
{"Compound":"3,16-dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane, 4,4,15,15-tetraethoxy-","CAS":"40372-72-3","CAS.Checksum":true,"DTXSID":"DTXSID3029362","Formula":"C18H42O6S4Si2","All.Compound.Names":"3,16-dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane, 4,4,15,15-tetraethoxy-|4,4,15,15-tetraethoxy-3,16-dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane|Dtxsid3029362","logHenry":-5.55,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.145,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.538,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.026,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.3,"MP.Reference":"EPA-CCD-OPERA","MW":538.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"40372-72-3"}
{"Compound":"1-methyl-3-octylimidazolium trifluoromethanesulfonate","CAS":"403842-84-2","CAS.Checksum":true,"DTXSID":"DTXSID1047946","Formula":"C13H23F3N2O3S","All.Compound.Names":"1-methyl-3-octylimidazolium trifluoromethanesulfonate|Dtxsid1047946|403842-84-2","logHenry":-2.993,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7482,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.513,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.679,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.9,"MP.Reference":"EPA-CCD-OPERA","MW":344.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"403842-84-2"}
{"Compound":"Capsaicin","CAS":"404-86-4","CAS.Checksum":true,"DTXSID":"DTXSID9020241","Formula":"C18H27NO3","All.Compound.Names":"Capsaicin|Dtxsid9020241|404-86-4","logHenry":-9.004,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.349,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.956,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.469,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.17,"MP.Reference":"EPA-CCD-OPERA","MW":305.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"404-86-4"}
{"Compound":"1-dodecyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide","CAS":"404001-48-5","CAS.Checksum":true,"DTXSID":"DTXSID4047917","Formula":"C18H31F6N3O4S2","All.Compound.Names":"1-dodecyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide","MW":531.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"404001-48-5"}
{"Compound":"1-methyl-3-tetradecylimidazolium bis(trifluoromethylsulfonyl)imide","CAS":"404001-49-6","CAS.Checksum":true,"DTXSID":"DTXSID9049297","Formula":"C20H35F6N3O4S2","All.Compound.Names":"1-methyl-3-tetradecylimidazolium bis(trifluoromethylsulfonyl)imide","MW":559.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"404001-49-6"}
{"Compound":"1-hexadecyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide","CAS":"404001-50-9","CAS.Checksum":true,"DTXSID":"DTXSID4049298","Formula":"C22H39F6N3O4S2","All.Compound.Names":"1-hexadecyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide","MW":587.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"404001-50-9"}
{"Compound":"1-dodecyl-3-methylimidazolium trifluoromethanesulfonate","CAS":"404001-52-1","CAS.Checksum":true,"DTXSID":"DTXSID9049299","Formula":"C17H31F3N2O3S","All.Compound.Names":"1-dodecyl-3-methylimidazolium trifluoromethanesulfonate|Dtxsid9049299|404001-52-1","logHenry":-5.592,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7483,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.207,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.408,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.9,"MP.Reference":"EPA-CCD-OPERA","MW":400.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"404001-52-1"}
{"Compound":"Bitoscanate","CAS":"4044-65-9","CAS.Checksum":true,"DTXSID":"DTXSID3046532","Formula":"C8H4N2S2","All.Compound.Names":"Bitoscanate|P-phenylene bis(isothiocyanate)|Dtxsid3046532|4044-65-9","logHenry":-5.047,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.295,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.018,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.687,"logWSol.Reference":"EPA-CCD-OPERA","MP":132,"MP.Reference":"EPA-CCD-OPERA","MW":192.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4044-65-9"}
{"Compound":"Tributylmethylammonium bis(trifluoromethylsulfonyl)imde","CAS":"405514-94-5","CAS.Checksum":true,"DTXSID":"DTXSID0047905","Formula":"C15H30F6N2O4S2","All.Compound.Names":"Tributylmethylammonium bis(trifluoromethylsulfonyl)imde|Tributylmethylammonium bis(trifluoromethylsulfonyl)imide","MW":480.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"405514-94-5"}
{"Compound":"Methoprene","CAS":"40596-69-8","CAS.Checksum":true,"DTXSID":"DTXSID8032627","Formula":"C19H34O3","All.Compound.Names":"Methoprene|Dtxsid8032627","logHenry":-6.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.503,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.451,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.558,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.501,"MP.Reference":"EPA-CCD-OPERA","MW":310.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"40596-69-8"}
{"Compound":"N,n'-di-tert-butylethane-1,2-diamine","CAS":"4062-60-6","CAS.Checksum":true,"DTXSID":"DTXSID9044667","Formula":"C10H24N2","All.Compound.Names":"N,n'-di-tert-butylethane-1,2-diamine|Dtxsid9044667|4062-60-6","logHenry":-6.019,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.86,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.794,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.033,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.56,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4062-60-6"}
{"Compound":"4-propylcyclohexanone","CAS":"40649-36-3","CAS.Checksum":true,"DTXSID":"DTXSID9048198","Formula":"C9H16O","All.Compound.Names":"4-propylcyclohexanone|Dtxsid9048198","logHenry":-4.008,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.532,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.301,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.218,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.56,"MP.Reference":"EPA-CCD-OPERA","MW":140.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"40649-36-3"}
{"Compound":"Fluprostenol","CAS":"40666-16-8","CAS.Checksum":true,"DTXSID":"DTXSID7046122","Formula":"C23H29F3O6","All.Compound.Names":"Fluprostenol|Dtxsid7046122|(?)-fluprostenol|40666-16-8","logHenry":-10.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.124,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.299,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.784,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.2,"MP.Reference":"EPA-CCD-OPERA","MW":458.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"40666-16-8"}
{"Compound":"Dexfosfoserine","CAS":"407-41-0","CAS.Checksum":true,"DTXSID":"DTXSID1046348","Formula":"C3H8NO6P","All.Compound.Names":"Dexfosfoserine|Dtxsid1046348|407-41-0","logHenry":-9.706,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.351,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.75,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1812,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.6,"MP.Reference":"EPA-CCD-OPERA","MW":185.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.84","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"-0.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"407-41-0"}
{"Compound":"Trans-nerolidol","CAS":"40716-66-3","CAS.Checksum":true,"DTXSID":"DTXSID2040783","Formula":"C15H26O","All.Compound.Names":"Trans-nerolidol|Dtxsid2040783|40716-66-3","logHenry":-6,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.862,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.39,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.612,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.63,"MP.Reference":"EPA-CCD-OPERA","MW":222.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"40716-66-3"}
{"Compound":"Diethylene glycol diacrylate","CAS":"4074-88-8","CAS.Checksum":true,"DTXSID":"DTXSID3025045","Formula":"C10H14O5","All.Compound.Names":"Diethylene glycol diacrylate|Dtxsid3025045","logHenry":-7.577,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5835,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.143,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6155,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.404,"MP.Reference":"EPA-CCD-OPERA","MW":214.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4074-88-8"}
{"Compound":"Calcium propionate","CAS":"4075-81-4","CAS.Checksum":true,"DTXSID":"DTXSID1027556","Formula":"C6H10CaO4","All.Compound.Names":"Calcium propionate|Dtxsid1027556|4075-81-4","logHenry":-6.352,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.645,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.59,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9222,"logWSol.Reference":"EPA-CCD-OPERA","MP":249.3,"MP.Reference":"EPA-CCD-OPERA","MW":186.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4075-81-4"}
{"Compound":"Mdl 72222","CAS":"40796-97-2","CAS.Checksum":true,"DTXSID":"DTXSID8042632","Formula":"C15H17Cl2NO2","All.Compound.Names":"Mdl 72222|Bemesetron|Dtxsid8042632|40796-97-2","logHenry":-8.001,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.224,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.354,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.2,"MP.Reference":"EPA-CCD-OPERA","MW":314.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"40796-97-2"}
{"Compound":"4-phenylpiperidin-4-ol","CAS":"40807-61-2","CAS.Checksum":true,"DTXSID":"DTXSID2057738","Formula":"C11H15NO","All.Compound.Names":"4-phenylpiperidin-4-ol|Dtxsid2057738|40807-61-2","logHenry":-6.609,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8449,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.097,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.528,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.9,"MP.Reference":"EPA-CCD-OPERA","MW":177.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"40807-61-2"}
{"Compound":"4-methylbenzenesulfonyl isocyanate","CAS":"4083-64-1","CAS.Checksum":true,"DTXSID":"DTXSID1027558","Formula":"C8H7NO3S","All.Compound.Names":"4-methylbenzenesulfonyl isocyanate|P-toluenesulphonyl isocyanate|Dtxsid1027558|4083-64-1","logHenry":-6.023,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8023,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.272,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.373,"logWSol.Reference":"EPA-CCD-OPERA","MP":147,"MP.Reference":"EPA-CCD-OPERA","MW":197.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4083-64-1"}
{"Compound":"Sodium malate","CAS":"40876-98-0","CAS.Checksum":true,"DTXSID":"DTXSID2028010","Formula":"C8H11NaO5","All.Compound.Names":"Sodium malate|Sodium diethyl oxaloacetate|Dtxsid2028010","logHenry":-7.576,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1805,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.316,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2788,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.03,"MP.Reference":"EPA-CCD-OPERA","MW":210.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"40876-98-0"}
{"Compound":"Methyl 4-acetamido-o-anisate","CAS":"4093-29-2","CAS.Checksum":true,"DTXSID":"DTXSID7057739","Formula":"C11H13NO4","All.Compound.Names":"Methyl 4-acetamido-o-anisate|Dtxsid7057739|4093-29-2","logHenry":-9.003,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.385,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.234,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.485,"logWSol.Reference":"EPA-CCD-OPERA","MP":119.3,"MP.Reference":"EPA-CCD-OPERA","MW":223.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4093-29-2"}
{"Compound":"Methyl 4-acetamido-5-chloro-o-anisate","CAS":"4093-31-6","CAS.Checksum":true,"DTXSID":"DTXSID6057740","Formula":"C11H12ClNO4","All.Compound.Names":"Methyl 4-acetamido-5-chloro-o-anisate|Dtxsid6057740|Methyl 4-acetamido-5-chloro-2-methoxybenzoate|4093-31-6","logHenry":-9.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.766,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.409,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.072,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.6,"MP.Reference":"EPA-CCD-OPERA","MW":257.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4093-31-6"}
{"Compound":"2',3'-dideoxyadenosine","CAS":"4097-22-7","CAS.Checksum":true,"DTXSID":"DTXSID2023771","Formula":"C10H13N5O2","All.Compound.Names":"2',3'-dideoxyadenosine|Dtxsid2023771|4097-22-7","logHenry":-8.188,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2492,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.371,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5104,"logWSol.Reference":"EPA-CCD-OPERA","MP":185,"MP.Reference":"EPA-CCD-OPERA","MW":235.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4097-22-7"}
{"Compound":"Isophorone diisocyanate","CAS":"4098-71-9","CAS.Checksum":true,"DTXSID":"DTXSID0023826","Formula":"C12H18N2O2","All.Compound.Names":"Isophorone diisocyanate|Dtxsid0023826|4098-71-9","logHenry":-6.328,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.865,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.875,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.641,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.4,"MP.Reference":"EPA-CCD-OPERA","MW":222.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4098-71-9"}
{"Compound":"N,n-diisopropylaniline","CAS":"4107-98-6","CAS.Checksum":true,"DTXSID":"DTXSID8042189","Formula":"C12H19N","All.Compound.Names":"N,n-diisopropylaniline|Dtxsid8042189|4107-98-6","logHenry":-3.128,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.846,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.911,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.836,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.42,"MP.Reference":"EPA-CCD-OPERA","MW":177.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4107-98-6"}
{"Compound":"4-hexyl-4'-cyanobiphenyl","CAS":"41122-70-7","CAS.Checksum":true,"DTXSID":"DTXSID4025404","Formula":"C19H21N","All.Compound.Names":"4-hexyl-4'-cyanobiphenyl|Dtxsid4025404","logHenry":-5.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.171,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.436,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.322,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.13,"MP.Reference":"EPA-CCD-OPERA","MW":263.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41122-70-7"}
{"Compound":"Ceftezole sodium","CAS":"41136-22-5","CAS.Checksum":true,"DTXSID":"DTXSID1048594","Formula":"C13H11N8NaO4S3","All.Compound.Names":"Ceftezole sodium|Dtxsid1048594|41136-22-5","logHenry":-10.92,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4194,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.853,"logWSol.Reference":"EPA-CCD-OPERA","MP":181,"MP.Reference":"EPA-CCD-OPERA","MW":462.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.99","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41136-22-5"}
{"Compound":"1-ethyl-3-methylimidazolium hydrogen sulfate","CAS":"412009-61-1","CAS.Checksum":true,"DTXSID":"DTXSID1049300","Formula":"C6H12N2O4S","All.Compound.Names":"1-ethyl-3-methylimidazolium hydrogen sulfate|Dtxsid1049300|412009-61-1","logHenry":-2.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6145,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.531,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01646,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.6,"MP.Reference":"EPA-CCD-OPERA","MW":208.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"412009-61-1"}
{"Compound":"1-decyl-3-methylimidazolium trifluoromethanesulfonate","CAS":"412009-62-2","CAS.Checksum":true,"DTXSID":"DTXSID9047916","Formula":"C15H27F3N2O3S","All.Compound.Names":"1-decyl-3-methylimidazolium trifluoromethanesulfonate|Dtxsid9047916|412009-62-2","logHenry":-3.737,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7479,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.667,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.233,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.9,"MP.Reference":"EPA-CCD-OPERA","MW":372.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"412009-62-2"}
{"Compound":"1,2,4-triazole, sodium salt","CAS":"41253-21-8","CAS.Checksum":true,"DTXSID":"DTXSID6032722","Formula":"C2H2N3Na","All.Compound.Names":"1,2,4-triazole, sodium salt|Dtxsid6032722|41253-21-8","logHenry":-6.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.194,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.903,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.08196,"logWSol.Reference":"EPA-CCD-OPERA","MP":65,"MP.Reference":"EPA-CCD-OPERA","MW":91.05,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41253-21-8"}
{"Compound":"Trans,trans-farnesyl acetate","CAS":"4128-17-0","CAS.Checksum":true,"DTXSID":"DTXSID5047110","Formula":"C17H28O2","All.Compound.Names":"Trans,trans-farnesyl acetate|Dtxsid5047110","logHenry":-5.446,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.016,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.192,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.598,"logWSol.Reference":"EPA-CCD-OPERA","MP":-27.69,"MP.Reference":"EPA-CCD-OPERA","MW":264.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4128-17-0"}
{"Compound":"1,3-dipropan-2-ylurea","CAS":"4128-37-4","CAS.Checksum":true,"DTXSID":"DTXSID6044486","Formula":"C7H16N2O","All.Compound.Names":"1,3-dipropan-2-ylurea|Dtxsid6044486|4128-37-4","logHenry":-6.865,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.031,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.816,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7615,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.6,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4128-37-4"}
{"Compound":"Alfacalcidol","CAS":"41294-56-8","CAS.Checksum":true,"DTXSID":"DTXSID0022569","Formula":"C27H44O2","All.Compound.Names":"Alfacalcidol|41294-56-8|Dtxsid0022569","logHenry":-7.648,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.155,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.362,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.452,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.9,"MP.Reference":"EPA-CCD-OPERA","MW":400.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.71,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"41294-56-8"}
{"Compound":"Ethenylsilanetriyl triacetate","CAS":"4130-08-9","CAS.Checksum":true,"DTXSID":"DTXSID1044938","Formula":"C8H12O6Si","All.Compound.Names":"Ethenylsilanetriyl triacetate|Triacetoxy(vinyl) silane|Dtxsid1044938","logHenry":-8.383,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.297,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.56,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4074,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.75,"MP.Reference":"EPA-CCD-OPERA","MW":232.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"1,0.3758,1","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"4130-08-9"}
{"Compound":"2,6-di-tert-butyl-4-ethylphenol","CAS":"4130-42-1","CAS.Checksum":true,"DTXSID":"DTXSID0029262","Formula":"C16H26O","All.Compound.Names":"2,6-di-tert-butyl-4-ethylphenol|Dtxsid0029262|4130-42-1","logHenry":-5.046,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.121,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.397,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.815,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.3,"MP.Reference":"EPA-CCD-OPERA","MW":234.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4130-42-1"}
{"Compound":"Dimethyl 3,3?-thiodipropionate","CAS":"4131-74-2","CAS.Checksum":true,"DTXSID":"DTXSID0027561","Formula":"C8H14O4S","All.Compound.Names":"Dimethyl 3,3?-thiodipropionate|Dimethyl 3,3'-thiodipropionate|Dtxsid0027561","logHenry":-6.503,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.113,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.672,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.159,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.99,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4131-74-2"}
{"Compound":"4-methoxy-2-methyl-n-phenylaniline","CAS":"41317-15-1","CAS.Checksum":true,"DTXSID":"DTXSID3029364","Formula":"C14H15NO","All.Compound.Names":"4-methoxy-2-methyl-n-phenylaniline|Dtxsid3029364|41317-15-1","logHenry":-7.168,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.147,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.059,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.573,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.61,"MP.Reference":"EPA-CCD-OPERA","MW":213.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41317-15-1"}
{"Compound":"7-ethyltryptophol","CAS":"41340-36-7","CAS.Checksum":true,"DTXSID":"DTXSID1057741","Formula":"C12H15NO","All.Compound.Names":"7-ethyltryptophol|Dtxsid1057741|41340-36-7","logHenry":-7.132,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.97,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.227,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.961,"logWSol.Reference":"EPA-CCD-OPERA","MP":91.5,"MP.Reference":"EPA-CCD-OPERA","MW":189.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41340-36-7"}
{"Compound":"4'-hydroxy-2,4-dimethoxybenzophenone","CAS":"41351-30-8","CAS.Checksum":true,"DTXSID":"DTXSID4047886","Formula":"C15H14O4","All.Compound.Names":"4'-hydroxy-2,4-dimethoxybenzophenone|Dtxsid4047886|41351-30-8","logHenry":-8.755,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.764,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.871,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.776,"logWSol.Reference":"EPA-CCD-OPERA","MP":231.4,"MP.Reference":"EPA-CCD-OPERA","MW":258.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41351-30-8"}
{"Compound":"Methyldopa sesquihydrate","CAS":"41372-08-1","CAS.Checksum":true,"DTXSID":"DTXSID5020863","Formula":"C20H32N2O11","All.Compound.Names":"Methyldopa sesquihydrate|Dtxsid5020863|41372-08-1","logHenry":-8.853,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.323,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.729,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.323,"logWSol.Reference":"EPA-CCD-OPERA","MP":231.5,"MP.Reference":"EPA-CCD-OPERA","MW":476.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.68","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41372-08-1"}
{"Compound":"Propylene glycol dipelargonate","CAS":"41395-83-9","CAS.Checksum":true,"DTXSID":"DTXSID3047182","Formula":"C21H40O4","All.Compound.Names":"Propylene glycol dipelargonate|Dtxsid3047182","logHenry":-6.445,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.598,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.666,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.119,"logWSol.Reference":"EPA-CCD-OPERA","MP":-28.6,"MP.Reference":"EPA-CCD-OPERA","MW":356.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41395-83-9"}
{"Compound":"1,3,5-tribromo-2-methoxy-4-methylbenzene","CAS":"41424-36-6","CAS.Checksum":true,"DTXSID":"DTXSID6044939","Formula":"C8H7Br3O","All.Compound.Names":"1,3,5-tribromo-2-methoxy-4-methylbenzene|Dtxsid6044939","logHenry":-3.51,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.477,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.036,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.226,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.06,"MP.Reference":"EPA-CCD-OPERA","MW":358.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41424-36-6"}
{"Compound":"Pyridoxal phosphate hydrate","CAS":"41468-25-1","CAS.Checksum":true,"DTXSID":"DTXSID7046594","Formula":"C8H12NO7P","All.Compound.Names":"Pyridoxal phosphate hydrate|Pyridoxal 5'-phosphate monohydrate|Dtxsid7046594|41468-25-1","logHenry":-8.517,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9119,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.13,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.119,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.6,"MP.Reference":"EPA-CCD-OPERA","MW":265.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41468-25-1"}
{"Compound":"4,4'-sulfonylbis[2-(prop-2-en-1-yl)phenol]","CAS":"41481-66-7","CAS.Checksum":true,"DTXSID":"DTXSID9047598","Formula":"C18H18O4S","All.Compound.Names":"4,4'-sulfonylbis[2-(prop-2-en-1-yl)phenol]|4,4'-sulfonylbis[2-(prop-2-en-1-yl) phenol]|Dtxsid9047598|41481-66-7","logHenry":-10.51,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.843,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.516,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.716,"logWSol.Reference":"EPA-CCD-OPERA","MP":251.7,"MP.Reference":"EPA-CCD-OPERA","MW":330.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"84.7","Human.Clint.Reference":"Black 2021","Rat.Clint":"80.4","Rat.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"41481-66-7"}
{"Compound":"Bupirimate","CAS":"41483-43-6","CAS.Checksum":true,"DTXSID":"DTXSID6041688","Formula":"C13H24N4O3S","All.Compound.Names":"Bupirimate|Dtxsid6041688|41483-43-6","logHenry":-9.512,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.966,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.213,"logWSol.Reference":"EPA-CCD-OPERA","MP":50.63,"MP.Reference":"EPA-CCD-OPERA","MW":316.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41483-43-6"}
{"Compound":"Thioethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)","CAS":"41484-35-9","CAS.Checksum":true,"DTXSID":"DTXSID7028011","Formula":"C38H58O6S","All.Compound.Names":"Thioethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)|Thiodiethylene bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)|Dtxsid7028011|41484-35-9","logHenry":-7.516,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.424,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3111,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.409,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.8,"MP.Reference":"EPA-CCD-OPERA","MW":642.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41484-35-9"}
{"Compound":"(3z)-hex-3-en-1-yl 2-methylpropanoate","CAS":"41519-23-7","CAS.Checksum":true,"DTXSID":"DTXSID0047585","Formula":"C10H18O2","All.Compound.Names":"(3z)-hex-3-en-1-yl 2-methylpropanoate|Dtxsid0047585","logHenry":-3.253,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.541,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.313,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.784,"logWSol.Reference":"EPA-CCD-OPERA","MP":-55.69,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41519-23-7"}
{"Compound":"1,1,2-trimethyl-1h-benzo[e]indole","CAS":"41532-84-7","CAS.Checksum":true,"DTXSID":"DTXSID4044668","Formula":"C15H15N","All.Compound.Names":"1,1,2-trimethyl-1h-benzo[e]indole|Dtxsid4044668|41532-84-7","logHenry":-4.779,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.831,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.588,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.07,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.2,"MP.Reference":"EPA-CCD-OPERA","MW":209.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41532-84-7"}
{"Compound":"Ethanol, 2,2'-((1-methylethylidene)bis((2,6-dibromo-4,1-phenylene)oxy))bis-","CAS":"4162-45-2","CAS.Checksum":true,"DTXSID":"DTXSID4038922","Formula":"C19H20Br4O4","All.Compound.Names":"Ethanol, 2,2'-((1-methylethylidene)bis((2,6-dibromo-4,1-phenylene)oxy))bis-|Tetrabromobisphenol a bis(2-hydroxyethyl) ether|Dtxsid4038922|4162-45-2","logHenry":-7.107,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.693,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.928,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.564,"logWSol.Reference":"EPA-CCD-OPERA","MP":107.1,"MP.Reference":"EPA-CCD-OPERA","MW":632,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4162-45-2"}
{"Compound":"Ciclopirox olamine","CAS":"41621-49-2","CAS.Checksum":true,"DTXSID":"DTXSID6045583","Formula":"C14H24N2O3","All.Compound.Names":"Ciclopirox olamine|Dtxsid6045583","logHenry":-6.969,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.432,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.184,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.811,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.8,"MP.Reference":"EPA-CCD-OPERA","MW":268.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41621-49-2"}
{"Compound":"Sulcaine","CAS":"41653-21-8","CAS.Checksum":true,"DTXSID":"DTXSID4048850","Formula":"C16H22N2O3","All.Compound.Names":"Sulcaine|Dtxsid4048850|41653-21-8","logHenry":-9.972,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.406,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.428,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.734,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.4,"MP.Reference":"EPA-CCD-OPERA","MW":290.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41653-21-8"}
{"Compound":"2-methyl-5-nitro-1h-isoindole-1,3(2h)-dione","CAS":"41663-84-7","CAS.Checksum":true,"DTXSID":"DTXSID7028013","Formula":"C9H6N2O4","All.Compound.Names":"2-methyl-5-nitro-1h-isoindole-1,3(2h)-dione|N-methyl-4-nitrophthalimide|Dtxsid7028013|41663-84-7","logHenry":-6.221,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8356,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.577,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.179,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.51,"MP.Reference":"EPA-CCD-OPERA","MW":206.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41663-84-7"}
{"Compound":"2-phenoxypropan-1-ol","CAS":"4169-04-4","CAS.Checksum":true,"DTXSID":"DTXSID7029665","Formula":"C9H12O2","All.Compound.Names":"2-phenoxypropan-1-ol|2-phenoxy-1-propanol|Dtxsid7029665|4169-04-4","logHenry":-6.545,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.606,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.878,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9582,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.54,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4169-04-4"}
{"Compound":"Crotonaldehyde","CAS":"4170-30-3","CAS.Checksum":true,"DTXSID":"DTXSID8024864","Formula":"C4H6O","All.Compound.Names":"Crotonaldehyde|Dtxsid8024864","logHenry":-4.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6822,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.019,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3171,"logWSol.Reference":"EPA-CCD-OPERA","MP":-76.02,"MP.Reference":"EPA-CCD-OPERA","MW":70.09,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4170-30-3"}
{"Compound":"Befuraline","CAS":"41717-30-0","CAS.Checksum":true,"DTXSID":"DTXSID2046206","Formula":"C20H20N2O2","All.Compound.Names":"Befuraline|Dtxsid2046206|41717-30-0","logHenry":-6.942,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.471,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.231,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.611,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.6,"MP.Reference":"EPA-CCD-OPERA","MW":320.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41717-30-0"}
{"Compound":"Bentiromide sodium","CAS":"41748-47-4","CAS.Checksum":true,"DTXSID":"DTXSID6046476","Formula":"C23H19N2NaO5","All.Compound.Names":"Bentiromide sodium|Dtxsid6046476|41748-47-4","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.721,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.743,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.336,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.8,"MP.Reference":"EPA-CCD-OPERA","MW":426.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41748-47-4"}
{"Compound":"(e)-anethole","CAS":"4180-23-8","CAS.Checksum":true,"DTXSID":"DTXSID9020087","Formula":"C10H12O","All.Compound.Names":"(e)-anethole|Dtxsid9020087","logHenry":-5.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.018,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.981,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.123,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.82,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4180-23-8"}
{"Compound":"2,7,8,9-tricyclazole","CAS":"41814-78-2","CAS.Checksum":true,"DTXSID":"DTXSID7037478","Formula":"C9H7N3S","All.Compound.Names":"2,7,8,9-tricyclazole|Dtxsid7037478|41814-78-2","logHenry":-7.187,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.733,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.18,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.8,"MP.Reference":"EPA-CCD-OPERA","MW":189.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41814-78-2"}
{"Compound":"Trepibutone","CAS":"41826-92-0","CAS.Checksum":true,"DTXSID":"DTXSID6046634","Formula":"C16H22O6","All.Compound.Names":"Trepibutone|Dtxsid6046634|41826-92-0","logHenry":-9.231,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.729,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.624,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.378,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.5,"MP.Reference":"EPA-CCD-OPERA","MW":310.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41826-92-0"}
{"Compound":"Bezafibrate","CAS":"41859-67-0","CAS.Checksum":true,"DTXSID":"DTXSID3029869","Formula":"C19H20ClNO4","All.Compound.Names":"Bezafibrate|41859-67-0|Dtxsid3029869","logHenry":-10.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.764,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.695,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.801,"logWSol.Reference":"EPA-CCD-OPERA","MP":186,"MP.Reference":"EPA-CCD-OPERA","MW":361.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"41859-67-0"}
{"Compound":"1-ethyl-1-methylpyrrolidinium iodide","CAS":"4186-68-9","CAS.Checksum":true,"DTXSID":"DTXSID6047941","Formula":"C7H16IN","All.Compound.Names":"1-ethyl-1-methylpyrrolidinium iodide|Dtxsid6047941|4186-68-9","logHenry":-0.9352,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.768,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.84,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2721,"logWSol.Reference":"EPA-CCD-OPERA","MP":202,"MP.Reference":"EPA-CCD-OPERA","MW":241.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4186-68-9"}
{"Compound":"2,2-bis[(benzoyloxy)methyl]dibenzoate propanediol","CAS":"4196-86-5","CAS.Checksum":true,"DTXSID":"DTXSID8024608","Formula":"C33H28O8","All.Compound.Names":"2,2-bis[(benzoyloxy)methyl]dibenzoate propanediol|Pentaerythrityl tetrabenzoate|Dtxsid8024608","logHenry":-7.461,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.316,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.359,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.664,"logWSol.Reference":"EPA-CCD-OPERA","MP":223.5,"MP.Reference":"EPA-CCD-OPERA","MW":552.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4196-86-5"}
{"Compound":"1,3-propanediol, 2,2-dimethyl-, dibenzoate","CAS":"4196-89-8","CAS.Checksum":true,"DTXSID":"DTXSID1038822","Formula":"C19H20O4","All.Compound.Names":"1,3-propanediol, 2,2-dimethyl-, dibenzoate|Neopentyl glycol dibenzoate|Dtxsid1038822","logHenry":-7.549,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.967,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.192,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.817,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.11,"MP.Reference":"EPA-CCD-OPERA","MW":312.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Funbound.plasma":"0.7388,0.2478,1","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"4196-89-8"}
{"Compound":"Cyanamide","CAS":"420-04-2","CAS.Checksum":true,"DTXSID":"DTXSID9034490","Formula":"CH2N2","All.Compound.Names":"Cyanamide|Dtxsid9034490|420-04-2","logHenry":-5.72,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8198,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.499,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.092,"logWSol.Reference":"EPA-CCD-OPERA","MP":44,"MP.Reference":"EPA-CCD-OPERA","MW":42.04,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"420-04-2"}
{"Compound":"Ethylene sulfide","CAS":"420-12-2","CAS.Checksum":true,"DTXSID":"DTXSID3049411","Formula":"C2H4S","All.Compound.Names":"Ethylene sulfide|Dtxsid3049411","logHenry":-2.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.711,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.085,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6709,"logWSol.Reference":"EPA-CCD-OPERA","MP":-36.3,"MP.Reference":"EPA-CCD-OPERA","MW":60.11,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"420-12-2"}
{"Compound":"(-)-2,5-dimethoxy-4-ethylamphetamine hydrochloride","CAS":"42011-76-7","CAS.Checksum":true,"DTXSID":"DTXSID1048889","Formula":"C13H22ClNO2","All.Compound.Names":"(-)-2,5-dimethoxy-4-ethylamphetamine hydrochloride|Dtxsid1048889|42011-76-7","logHenry":-8.962,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1276,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.558,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.361,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.3,"MP.Reference":"EPA-CCD-OPERA","MW":259.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42011-76-7"}
{"Compound":"4-hydroxy-4'-chlorobenzophenone","CAS":"42019-78-3","CAS.Checksum":true,"DTXSID":"DTXSID4047961","Formula":"C13H9ClO2","All.Compound.Names":"4-hydroxy-4'-chlorobenzophenone|Dtxsid4047961|42019-78-3","logHenry":-9.007,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.447,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.452,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.068,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.5,"MP.Reference":"EPA-CCD-OPERA","MW":232.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42019-78-3"}
{"Compound":"Mazaticol","CAS":"42024-98-6","CAS.Checksum":true,"DTXSID":"DTXSID1057743","Formula":"C21H27NO3S2","All.Compound.Names":"Mazaticol|Dtxsid1057743|42024-98-6","logHenry":-8.82,"logHenry.Reference":"OPERA29","logP":3.13,"logP.Reference":"OPERA29","logWSol":-4.9,"logWSol.Reference":"OPERA29","MP":246,"MP.Reference":"OPERA29","MW":405.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42024-98-6"}
{"Compound":"Clonidine hydrochloride","CAS":"4205-91-8","CAS.Checksum":true,"DTXSID":"DTXSID8044670","Formula":"C9H10Cl3N3","All.Compound.Names":"Clonidine hydrochloride|Dtxsid8044670|4205-91-8","logHenry":-8.846,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4072,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.517,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1068,"logWSol.Reference":"EPA-CCD-OPERA","MP":178,"MP.Reference":"EPA-CCD-OPERA","MW":266.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4205-91-8"}
{"Compound":"1,1-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexane","CAS":"4221-68-5","CAS.Checksum":true,"DTXSID":"DTXSID6051306","Formula":"C30H40O2","All.Compound.Names":"1,1-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexane|Dtxsid6051306|4221-68-5","logHenry":-6.899,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.82,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.83,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.745,"logWSol.Reference":"EPA-CCD-OPERA","MP":262.4,"MP.Reference":"EPA-CCD-OPERA","MW":432.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4221-68-5"}
{"Compound":"(r)-alpha-phellandrene","CAS":"4221-98-1","CAS.Checksum":true,"DTXSID":"DTXSID3047053","Formula":"C10H16","All.Compound.Names":"(r)-alpha-phellandrene|Dtxsid3047053","logHenry":-1.33,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.235,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2116,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.643,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.61,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4221-98-1"}
{"Compound":"1-bromoheptadecafluorooctane","CAS":"423-55-2","CAS.Checksum":true,"DTXSID":"DTXSID5046560","Formula":"C8BrF17","All.Compound.Names":"1-bromoheptadecafluorooctane|Dtxsid5046560","logHenry":-1.795,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.073,"logP.Reference":"EPA-CCD-OPERA","logPwa":-2.292,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.615,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.978,"MP.Reference":"EPA-CCD-OPERA","MW":499,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"423-55-2"}
{"Compound":"(2s,3s)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one","CAS":"42399-49-5","CAS.Checksum":true,"DTXSID":"DTXSID6057744","Formula":"C16H15NO3S","All.Compound.Names":"(2s,3s)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one|Dtxsid6057744|42399-49-5","logHenry":-9.819,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.967,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.399,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.988,"logWSol.Reference":"EPA-CCD-OPERA","MP":196,"MP.Reference":"EPA-CCD-OPERA","MW":301.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42399-49-5"}
{"Compound":"Estradiol acetate","CAS":"4245-41-4","CAS.Checksum":true,"DTXSID":"DTXSID7045867","Formula":"C20H26O3","All.Compound.Names":"Estradiol acetate|Dtxsid7045867|4245-41-4","logHenry":-9.202,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.478,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.485,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.364,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.8,"MP.Reference":"EPA-CCD-OPERA","MW":314.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4245-41-4"}
{"Compound":"3,3'-[oxybis(ethane-2,1-diyloxy)]dipropan-1-amine","CAS":"4246-51-9","CAS.Checksum":true,"DTXSID":"DTXSID6044565","Formula":"C10H24N2O3","All.Compound.Names":"3,3'-[oxybis(ethane-2,1-diyloxy)]dipropan-1-amine|Dtxsid6044565|4246-51-9","logHenry":-7.062,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2746,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.862,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.04317,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.78,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4246-51-9"}
{"Compound":"Flunixin meglumine","CAS":"42461-84-7","CAS.Checksum":true,"DTXSID":"DTXSID1045584","Formula":"C21H28F3N3O7","All.Compound.Names":"Flunixin meglumine|Dtxsid1045584|42461-84-7","logHenry":-9.085,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8393,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.273,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.156,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.6,"MP.Reference":"EPA-CCD-OPERA","MW":491.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.46","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42461-84-7"}
{"Compound":"Isobutylparaben","CAS":"4247-02-3","CAS.Checksum":true,"DTXSID":"DTXSID4020749","Formula":"C11H14O3","All.Compound.Names":"Isobutylparaben|Dtxsid4020749|4247-02-3","logHenry":-9.181,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.014,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.515,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.829,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.08,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4247-02-3"}
{"Compound":"Nimustine","CAS":"42471-28-3","CAS.Checksum":true,"DTXSID":"DTXSID0045179","Formula":"C9H13ClN6O2","All.Compound.Names":"Nimustine|Dtxsid0045179|42471-28-3","logHenry":-9.871,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3893,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.777,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.49,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.8,"MP.Reference":"EPA-CCD-OPERA","MW":272.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42471-28-3"}
{"Compound":"2-octen-1-ylsuccinic anhydride","CAS":"42482-06-4","CAS.Checksum":true,"DTXSID":"DTXSID8041373","Formula":"C12H18O3","All.Compound.Names":"2-octen-1-ylsuccinic anhydride|Dtxsid8041373","logHenry":-7.655,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.595,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.82,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.722,"logWSol.Reference":"EPA-CCD-OPERA","MP":50.31,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42482-06-4"}
{"Compound":"2,2',4'-trichloroacetophenone","CAS":"4252-78-2","CAS.Checksum":true,"DTXSID":"DTXSID3026190","Formula":"C8H5Cl3O","All.Compound.Names":"2,2',4'-trichloroacetophenone|Dtxsid3026190","logHenry":-5.753,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.882,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.024,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.446,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.12,"MP.Reference":"EPA-CCD-OPERA","MW":223.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4252-78-2"}
{"Compound":"Methylsilanetriyl triacetate","CAS":"4253-34-3","CAS.Checksum":true,"DTXSID":"DTXSID0027565","Formula":"C7H12O6Si","All.Compound.Names":"Methylsilanetriyl triacetate|Dtxsid0027565","logHenry":-8.383,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.087,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.224,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3401,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.55,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4253-34-3"}
{"Compound":"Cefamandole nafate","CAS":"42540-40-9","CAS.Checksum":true,"DTXSID":"DTXSID2022751","Formula":"C19H17N6NaO6S2","All.Compound.Names":"Cefamandole nafate|Dtxsid2022751|42540-40-9","logHenry":-10.94,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.02735,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.66,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.837,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.5,"MP.Reference":"EPA-CCD-OPERA","MW":512.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42540-40-9"}
{"Compound":"Crocin","CAS":"42553-65-1","CAS.Checksum":true,"DTXSID":"DTXSID7046172","Formula":"C44H64O24","All.Compound.Names":"Crocin|Dtxsid7046172|42553-65-1","logHenry":-10.64,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.307,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.93,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3155,"logWSol.Reference":"EPA-CCD-OPERA","MP":186,"MP.Reference":"EPA-CCD-OPERA","MW":977,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42553-65-1"}
{"Compound":"Bifenox","CAS":"42576-02-3","CAS.Checksum":true,"DTXSID":"DTXSID1040320","Formula":"C14H9Cl2NO5","All.Compound.Names":"Bifenox|Dtxsid1040320|42576-02-3","logHenry":-8.139,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.479,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.131,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.03,"MP.Reference":"EPA-CCD-OPERA","MW":342.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42576-02-3"}
{"Compound":"Octahydro-1h-4,7-methanoindene-1,5-diyldimethanediyl bisprop-2-enoate","CAS":"42594-17-2","CAS.Checksum":true,"DTXSID":"DTXSID5044940","Formula":"C18H24O4","All.Compound.Names":"Octahydro-1h-4,7-methanoindene-1,5-diyldimethanediyl bisprop-2-enoate|Tricyclodecanedimethanol diacrylate|Dtxsid5044940","logHenry":-7.013,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.283,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.623,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.323,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.3,"MP.Reference":"EPA-CCD-OPERA","MW":304.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42594-17-2"}
{"Compound":"Fluorometholone","CAS":"426-13-1","CAS.Checksum":true,"DTXSID":"DTXSID7047435","Formula":"C22H29FO4","All.Compound.Names":"Fluorometholone|Dtxsid7047435|426-13-1","logHenry":-10.26,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.006,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.364,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.099,"logWSol.Reference":"EPA-CCD-OPERA","MP":296.8,"MP.Reference":"EPA-CCD-OPERA","MW":376.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"426-13-1"}
{"Compound":"N-(2-chloroethyl)-n-(propan-2-yl)propan-2-amine hydrochloride","CAS":"4261-68-1","CAS.Checksum":true,"DTXSID":"DTXSID6048701","Formula":"C8H19Cl2N","All.Compound.Names":"N-(2-chloroethyl)-n-(propan-2-yl)propan-2-amine hydrochloride|Dtxsid6048701|4261-68-1","logHenry":-2.977,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6871,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.244,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.176,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.1,"MP.Reference":"EPA-CCD-OPERA","MW":200.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4261-68-1"}
{"Compound":"2-benzofurancarboxaldehyde","CAS":"4265-16-1","CAS.Checksum":true,"DTXSID":"DTXSID4047121","Formula":"C9H6O2","All.Compound.Names":"2-benzofurancarboxaldehyde|Dtxsid4047121|4265-16-1","logHenry":-6.642,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.314,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.237,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.037,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.86,"MP.Reference":"EPA-CCD-OPERA","MW":146.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4265-16-1"}
{"Compound":"N-alpha-p-tosyl-l-lysine chloromethyl ketone hydrochloride","CAS":"4272-74-6","CAS.Checksum":true,"DTXSID":"DTXSID3045807","Formula":"C14H22Cl2N2O3S","All.Compound.Names":"N-alpha-p-tosyl-l-lysine chloromethyl ketone hydrochloride|Dtxsid3045807|4272-74-6","logHenry":-8.949,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4123,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.611,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.169,"logWSol.Reference":"EPA-CCD-OPERA","MP":188,"MP.Reference":"EPA-CCD-OPERA","MW":369.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.03","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4272-74-6"}
{"Compound":"2-(phenylsulfonyl)aniline","CAS":"4273-98-7","CAS.Checksum":true,"DTXSID":"DTXSID0044941","Formula":"C12H11NO2S","All.Compound.Names":"2-(phenylsulfonyl)aniline|Dtxsid0044941|4273-98-7","logHenry":-5.811,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.113,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.691,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.176,"logWSol.Reference":"EPA-CCD-OPERA","MP":252.8,"MP.Reference":"EPA-CCD-OPERA","MW":233.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4273-98-7"}
{"Compound":"2-amino-4-(trifluoromethyl)benzenethiol hydrochloride","CAS":"4274-38-8","CAS.Checksum":true,"DTXSID":"DTXSID9057898","Formula":"C7H7ClF3NS","All.Compound.Names":"2-amino-4-(trifluoromethyl)benzenethiol hydrochloride|Dtxsid9057898|4274-38-8","logHenry":-9.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.19,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.089,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.549,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.4,"MP.Reference":"EPA-CCD-OPERA","MW":229.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.55","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4274-38-8"}
{"Compound":"Clopirac","CAS":"42779-82-8","CAS.Checksum":true,"DTXSID":"DTXSID9046158","Formula":"C14H14ClNO2","All.Compound.Names":"Clopirac|Dtxsid9046158|42779-82-8","logHenry":-9.842,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.105,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.691,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.685,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.9,"MP.Reference":"EPA-CCD-OPERA","MW":263.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42779-82-8"}
{"Compound":"Nonane,1-iodo-","CAS":"4282-42-2","CAS.Checksum":true,"DTXSID":"DTXSID6049301","Formula":"C9H19I","All.Compound.Names":"Nonane,1-iodo-|1-iodononane|Dtxsid6049301","logHenry":-1.408,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.156,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.567,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.098,"logWSol.Reference":"EPA-CCD-OPERA","MP":-28.2,"MP.Reference":"EPA-CCD-OPERA","MW":254.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4282-42-2"}
{"Compound":"Flumequine","CAS":"42835-25-6","CAS.Checksum":true,"DTXSID":"DTXSID5045623","Formula":"C14H12FNO3","All.Compound.Names":"Flumequine|Dtxsid5045623|42835-25-6","logHenry":-8.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.604,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.021,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.085,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.1,"MP.Reference":"EPA-CCD-OPERA","MW":261.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42835-25-6"}
{"Compound":"Bevantolol hydrochloride","CAS":"42864-78-8","CAS.Checksum":true,"DTXSID":"DTXSID5048633","Formula":"C20H28ClNO4","All.Compound.Names":"Bevantolol hydrochloride|Dtxsid5048633|42864-78-8","logHenry":-8.786,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.418,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.951,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.621,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.9,"MP.Reference":"EPA-CCD-OPERA","MW":381.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42864-78-8"}
{"Compound":"Pranolium chloride","CAS":"42879-47-0","CAS.Checksum":true,"DTXSID":"DTXSID8046119","Formula":"C18H26ClNO2","All.Compound.Names":"Pranolium chloride|Dtxsid8046119|42879-47-0","logHenry":-5.224,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6489,"logP.Reference":"EPA-CCD-OPERA","logPwa":10,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.407,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.2,"MP.Reference":"EPA-CCD-OPERA","MW":323.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42879-47-0"}
{"Compound":"Nabumetone","CAS":"42924-53-8","CAS.Checksum":true,"DTXSID":"DTXSID4045472","Formula":"C15H16O2","All.Compound.Names":"Nabumetone|42924-53-8|Dtxsid4045472","logHenry":-7.657,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.081,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.952,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.333,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.07,"MP.Reference":"EPA-CCD-OPERA","MW":228.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.35,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"42924-53-8"}
{"Compound":"Tripropylene glycol diacrylate","CAS":"42978-66-5","CAS.Checksum":true,"DTXSID":"DTXSID7028015","Formula":"C15H24O6","All.Compound.Names":"Tripropylene glycol diacrylate|Dtxsid7028015","logHenry":-7.631,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.174,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.24,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.289,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.06,"MP.Reference":"EPA-CCD-OPERA","MW":300.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42978-66-5"}
{"Compound":"3-chloro-2,2-dimethylpropanoyl chloride","CAS":"4300-97-4","CAS.Checksum":true,"DTXSID":"DTXSID0027567","Formula":"C5H8Cl2O","All.Compound.Names":"3-chloro-2,2-dimethylpropanoyl chloride|3-chloropivaloyl chloride|Dtxsid0027567","logHenry":-4.847,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.451,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.517,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.443,"logWSol.Reference":"EPA-CCD-OPERA","MP":-54.57,"MP.Reference":"EPA-CCD-OPERA","MW":155,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4300-97-4"}
{"Compound":"4'-tert-butyl-4-chlorobutyrophenone","CAS":"43076-61-5","CAS.Checksum":true,"DTXSID":"DTXSID1057745","Formula":"C14H19ClO","All.Compound.Names":"4'-tert-butyl-4-chlorobutyrophenone|Dtxsid1057745","logHenry":-4.716,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.099,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.283,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.871,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.2,"MP.Reference":"EPA-CCD-OPERA","MW":238.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"43076-61-5"}
{"Compound":"2,3-butanedione","CAS":"431-03-8","CAS.Checksum":true,"DTXSID":"DTXSID6021583","Formula":"C4H6O2","All.Compound.Names":"2,3-butanedione|Dtxsid6021583","logHenry":-4.879,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.336,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.515,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4736,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.137,"MP.Reference":"EPA-CCD-OPERA","MW":86.09,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"431-03-8"}
{"Compound":"Tridihexethyl chloride","CAS":"4310-35-4","CAS.Checksum":true,"DTXSID":"DTXSID4023701","Formula":"C21H36ClNO","All.Compound.Names":"Tridihexethyl chloride|Dtxsid4023701|4310-35-4","logHenry":-5.206,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3882,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.83,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.218,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.1,"MP.Reference":"EPA-CCD-OPERA","MW":354,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4310-35-4"}
{"Compound":"Dl-alpha tocopheryl nicotinate","CAS":"43119-47-7","CAS.Checksum":true,"DTXSID":"DTXSID1046396","Formula":"C35H53NO3","All.Compound.Names":"Dl-alpha tocopheryl nicotinate|Dtxsid1046396|43119-47-7","logHenry":-6.409,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.565,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.111,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.273,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.26,"MP.Reference":"EPA-CCD-OPERA","MW":535.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"43119-47-7"}
{"Compound":"1-octen-3-one","CAS":"4312-99-6","CAS.Checksum":true,"DTXSID":"DTXSID5047162","Formula":"C8H14O","All.Compound.Names":"1-octen-3-one|Dtxsid5047162","logHenry":-3.962,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.437,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.994,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.767,"logWSol.Reference":"EPA-CCD-OPERA","MP":-26.04,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4312-99-6"}
{"Compound":"Sodium 2-(methylamino)ethanesulfonate","CAS":"4316-74-9","CAS.Checksum":true,"DTXSID":"DTXSID5029263","Formula":"C3H8NNaO3S","All.Compound.Names":"Sodium 2-(methylamino)ethanesulfonate|Dtxsid5029263|4316-74-9","logHenry":-7.849,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.962,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.365,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1175,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.4,"MP.Reference":"EPA-CCD-OPERA","MW":161.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4316-74-9"}
{"Compound":"Beta-cyclocitral","CAS":"432-25-7","CAS.Checksum":true,"DTXSID":"DTXSID7047142","Formula":"C10H16O","All.Compound.Names":"Beta-cyclocitral|Dtxsid7047142","logHenry":-4.337,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.522,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.487,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.019,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.814,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"432-25-7"}
{"Compound":"Allylestrenol","CAS":"432-60-0","CAS.Checksum":true,"DTXSID":"DTXSID9022574","Formula":"C21H32O","All.Compound.Names":"Allylestrenol|Dtxsid9022574|432-60-0","logHenry":-7.046,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.696,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.809,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.156,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.14,"MP.Reference":"EPA-CCD-OPERA","MW":300.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"432-60-0"}
{"Compound":"Fenbendazole","CAS":"43210-67-9","CAS.Checksum":true,"DTXSID":"DTXSID0040672","Formula":"C15H13N3O2S","All.Compound.Names":"Fenbendazole|Dtxsid0040672|43210-67-9","logHenry":-8.621,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.635,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.854,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.476,"logWSol.Reference":"EPA-CCD-OPERA","MP":245,"MP.Reference":"EPA-CCD-OPERA","MW":299.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"43210-67-9"}
{"Compound":"Midodrine hydrochloride","CAS":"43218-56-0","CAS.Checksum":true,"DTXSID":"DTXSID1047493","Formula":"C12H19ClN2O4","All.Compound.Names":"Midodrine hydrochloride|Dtxsid1047493|43218-56-0","logHenry":-9.688,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8364,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.05,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.203,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.4,"MP.Reference":"EPA-CCD-OPERA","MW":290.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"43218-56-0"}
{"Compound":"Formoterol hemifumarate","CAS":"43229-80-7","CAS.Checksum":true,"DTXSID":"DTXSID5044239","Formula":"C42H52N4O12","All.Compound.Names":"Formoterol hemifumarate|Dtxsid5044239|43229-80-7","logHenry":-10.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6734,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.748,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.08,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.7,"MP.Reference":"EPA-CCD-OPERA","MW":804.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"43229-80-7"}
{"Compound":"Trimeprazine tartrate","CAS":"4330-99-8","CAS.Checksum":true,"DTXSID":"DTXSID3045560","Formula":"C40H50N4O6S2","All.Compound.Names":"Trimeprazine tartrate|Dtxsid3045560|4330-99-8","logHenry":-5.139,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7861,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.095,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.56,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.5,"MP.Reference":"EPA-CCD-OPERA","MW":747,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4330-99-8"}
{"Compound":"Sar 150640","CAS":"433212-21-6","CAS.Checksum":true,"DTXSID":"DTXSID4047389","Formula":"C25H35ClN2O7S","All.Compound.Names":"Sar 150640|Dtxsid4047389|433212-21-6","logHenry":-7.641,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.028,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.439,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.635,"logWSol.Reference":"EPA-CCD-OPERA","MP":180,"MP.Reference":"EPA-CCD-OPERA","MW":543.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"433212-21-6"}
{"Compound":"1-decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide","CAS":"433337-23-6","CAS.Checksum":true,"DTXSID":"DTXSID4047913","Formula":"C16H27F6N3O4S2","All.Compound.Names":"1-decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide","MW":503.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"433337-23-6"}
{"Compound":"Ethisterone","CAS":"434-03-7","CAS.Checksum":true,"DTXSID":"DTXSID2023016","Formula":"C21H28O2","All.Compound.Names":"Ethisterone|Dtxsid2023016|434-03-7","logHenry":-8.378,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.111,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.299,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.652,"logWSol.Reference":"EPA-CCD-OPERA","MP":270.3,"MP.Reference":"EPA-CCD-OPERA","MW":312.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"434-03-7"}
{"Compound":"Oxymetholone","CAS":"434-07-1","CAS.Checksum":true,"DTXSID":"DTXSID5023794","Formula":"C21H32O3","All.Compound.Names":"Oxymetholone|Dtxsid5023794|434-07-1","logHenry":-8.681,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.217,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.541,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.045,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.1,"MP.Reference":"EPA-CCD-OPERA","MW":332.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"434-07-1"}
{"Compound":"Lithocholic acid","CAS":"434-13-9","CAS.Checksum":true,"DTXSID":"DTXSID6020779","Formula":"C24H40O3","All.Compound.Names":"Lithocholic acid|Dtxsid6020779|434-13-9","logHenry":-8.256,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.266,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.158,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.996,"logWSol.Reference":"EPA-CCD-OPERA","MP":186,"MP.Reference":"EPA-CCD-OPERA","MW":376.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"434-13-9"}
{"Compound":"Nandrolone","CAS":"434-22-0","CAS.Checksum":true,"DTXSID":"DTXSID7023350","Formula":"C18H26O2","All.Compound.Names":"Nandrolone|434-22-0|Dtxsid7023350","logHenry":-7.134,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.622,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.065,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.446,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.5,"MP.Reference":"EPA-CCD-OPERA","MW":274.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.0224,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"434-22-0"}
{"Compound":"Tributyltin benzoate","CAS":"4342-36-3","CAS.Checksum":true,"DTXSID":"DTXSID5034981","Formula":"C19H32O2Sn","All.Compound.Names":"Tributyltin benzoate","MW":411.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4342-36-3"}
{"Compound":"D-alpha-tocopheryl succinate","CAS":"4345-03-3","CAS.Checksum":true,"DTXSID":"DTXSID2026151","Formula":"C33H54O5","All.Compound.Names":"D-alpha-tocopheryl succinate|Dtxsid2026151|4345-03-3","logHenry":-7.394,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.512,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6857,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.908,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.9,"MP.Reference":"EPA-CCD-OPERA","MW":530.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4345-03-3"}
{"Compound":"L-5-hydroxytryptophan","CAS":"4350-09-8","CAS.Checksum":true,"DTXSID":"DTXSID1025437","Formula":"C11H12N2O3","All.Compound.Names":"L-5-hydroxytryptophan|4350-09-8|Dtxsid1025437","logHenry":-10.38,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1436,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.527,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.057,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.5,"MP.Reference":"EPA-CCD-OPERA","MW":220.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.7,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"4350-09-8"}
{"Compound":"Xanthinol niacinate","CAS":"437-74-1","CAS.Checksum":true,"DTXSID":"DTXSID0023743","Formula":"C19H26N6O6","All.Compound.Names":"Xanthinol niacinate|Dtxsid0023743|437-74-1","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7406,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.754,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8687,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.4,"MP.Reference":"EPA-CCD-OPERA","MW":434.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"437-74-1"}
{"Compound":"Fenbutrazate","CAS":"4378-36-3","CAS.Checksum":true,"DTXSID":"DTXSID6057746","Formula":"C23H29NO3","All.Compound.Names":"Fenbutrazate|Dtxsid6057746|4378-36-3","logHenry":-6.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.321,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.265,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.729,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.15,"MP.Reference":"EPA-CCD-OPERA","MW":367.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4378-36-3"}
{"Compound":"N,n-dimethyl-2-(morpholin-4-yl)ethanamine","CAS":"4385-05-1","CAS.Checksum":true,"DTXSID":"DTXSID0044943","Formula":"C8H18N2O","All.Compound.Names":"N,n-dimethyl-2-(morpholin-4-yl)ethanamine|Dtxsid0044943|4385-05-1","logHenry":-5.256,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.03213,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.638,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4168,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.92,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4385-05-1"}
{"Compound":"2,2,4,4,6,8,8-heptamethylnonane","CAS":"4390-04-9","CAS.Checksum":true,"DTXSID":"DTXSID7052101","Formula":"C16H34","All.Compound.Names":"2,2,4,4,6,8,8-heptamethylnonane|Dtxsid7052101","logHenry":-0.8339,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.65,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.701,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.329,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.98,"MP.Reference":"EPA-CCD-OPERA","MW":226.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4390-04-9"}
{"Compound":"Niflumic acid","CAS":"4394-00-7","CAS.Checksum":true,"DTXSID":"DTXSID1023368","Formula":"C13H9F3N2O2","All.Compound.Names":"Niflumic acid|Dtxsid1023368|4394-00-7","logHenry":-9.08,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.426,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.609,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.273,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.4,"MP.Reference":"EPA-CCD-OPERA","MW":282.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.42","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4394-00-7"}
{"Compound":"Metanixin","CAS":"4394-04-1","CAS.Checksum":true,"DTXSID":"DTXSID3045693","Formula":"C14H14N2O2","All.Compound.Names":"Metanixin|Dtxsid3045693|4394-04-1","logHenry":-9.774,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.69,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.514,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.402,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.8,"MP.Reference":"EPA-CCD-OPERA","MW":242.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4394-04-1"}
{"Compound":"Nixylic acid","CAS":"4394-05-2","CAS.Checksum":true,"DTXSID":"DTXSID8045694","Formula":"C14H14N2O2","All.Compound.Names":"Nixylic acid|Dtxsid8045694|4394-05-2","logHenry":-9.776,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.708,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.496,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.455,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.1,"MP.Reference":"EPA-CCD-OPERA","MW":242.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4394-05-2"}
{"Compound":"4-morpholinecarboxaldehyde","CAS":"4394-85-8","CAS.Checksum":true,"DTXSID":"DTXSID7044427","Formula":"C5H9NO2","All.Compound.Names":"4-morpholinecarboxaldehyde|4-formyl morpholine|Dtxsid7044427|4394-85-8","logHenry":-5.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.057,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.016,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9849,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.97,"MP.Reference":"EPA-CCD-OPERA","MW":115.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.4016","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0.9528,0.7021,1","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"4394-85-8"}
{"Compound":"Fluoperazine dihydrochloride","CAS":"440-17-5","CAS.Checksum":true,"DTXSID":"DTXSID1045085","Formula":"C21H26Cl2F3N3S","All.Compound.Names":"Fluoperazine dihydrochloride|Trifluoperazine dihydrochloride|Dtxsid1045085|440-17-5","logHenry":-8.039,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.103,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.47,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.52,"logWSol.Reference":"EPA-CCD-OPERA","MP":239.9,"MP.Reference":"EPA-CCD-OPERA","MW":480.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"440-17-5"}
{"Compound":"Iodamide","CAS":"440-58-4","CAS.Checksum":true,"DTXSID":"DTXSID1023150","Formula":"C12H11I3N2O4","All.Compound.Names":"Iodamide|Dtxsid1023150|440-58-4","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.15,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.252,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.322,"logWSol.Reference":"EPA-CCD-OPERA","MP":255,"MP.Reference":"EPA-CCD-OPERA","MW":627.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"440-58-4"}
{"Compound":"2-methyl-2-butenenitrile","CAS":"4403-61-6","CAS.Checksum":true,"DTXSID":"DTXSID0025577","Formula":"C5H7N","All.Compound.Names":"2-methyl-2-butenenitrile|Dtxsid0025577","logHenry":-4.963,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1041,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.066,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.656,"logWSol.Reference":"EPA-CCD-OPERA","MP":-70.4,"MP.Reference":"EPA-CCD-OPERA","MW":81.12,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4403-61-6"}
{"Compound":"Phosphonoacetic acid","CAS":"4408-78-0","CAS.Checksum":true,"DTXSID":"DTXSID2045107","Formula":"C2H5O5P","All.Compound.Names":"Phosphonoacetic acid|Dtxsid2045107|4408-78-0","logHenry":-8.611,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8376,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.729,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3323,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.5,"MP.Reference":"EPA-CCD-OPERA","MW":140,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4408-78-0"}
{"Compound":"Beclomethasone","CAS":"4419-39-0","CAS.Checksum":true,"DTXSID":"DTXSID5040750","Formula":"C22H29ClO5","All.Compound.Names":"Beclomethasone|Dtxsid5040750|4419-39-0","logHenry":-10.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.98,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.348,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.756,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.8,"MP.Reference":"EPA-CCD-OPERA","MW":408.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.55","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4419-39-0"}
{"Compound":"3-mercaptopropyltrimethoxysilane","CAS":"4420-74-0","CAS.Checksum":true,"DTXSID":"DTXSID2044428","Formula":"C6H16O3SSi","All.Compound.Names":"3-mercaptopropyltrimethoxysilane|Dtxsid2044428|4420-74-0","logHenry":-5.953,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.849,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.282,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.348,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.22,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.03","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4420-74-0"}
{"Compound":"1,3,5-benzenetricarbonyl trichloride","CAS":"4422-95-1","CAS.Checksum":true,"DTXSID":"DTXSID7044429","Formula":"C9H3Cl3O3","All.Compound.Names":"1,3,5-benzenetricarbonyl trichloride|Dtxsid7044429","logHenry":-6.825,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.097,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.83,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.545,"logWSol.Reference":"EPA-CCD-OPERA","MP":36.49,"MP.Reference":"EPA-CCD-OPERA","MW":265.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4422-95-1"}
{"Compound":"(n-6)-methyladenine","CAS":"443-72-1","CAS.Checksum":true,"DTXSID":"DTXSID1020857","Formula":"C6H7N5","All.Compound.Names":"(n-6)-methyladenine|N-methyl-9h-purin-6-amine|Dtxsid1020857|443-72-1","logHenry":-8.895,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4302,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.554,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.018,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.6,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"443-72-1"}
{"Compound":"Dl-isoleucine","CAS":"443-79-8","CAS.Checksum":true,"DTXSID":"DTXSID2046882","Formula":"C6H13NO2","All.Compound.Names":"Dl-isoleucine|Isoleucine|Dtxsid2046882|443-79-8","logHenry":-6.272,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.719,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5837,"logWSol.Reference":"EPA-CCD-OPERA","MP":288.9,"MP.Reference":"EPA-CCD-OPERA","MW":131.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.73","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"443-79-8"}
{"Compound":"N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide","CAS":"4433-79-8","CAS.Checksum":true,"DTXSID":"DTXSID5029265","Formula":"C12H14ClNO4","All.Compound.Names":"N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide|4'-chloro-2',5'-dimethoxyacetoacetanilide|Dtxsid5029265|4433-79-8","logHenry":-10.06,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.87,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.785,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.655,"logWSol.Reference":"EPA-CCD-OPERA","MP":119.2,"MP.Reference":"EPA-CCD-OPERA","MW":271.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4433-79-8"}
{"Compound":"3,4-hexanedione","CAS":"4437-51-8","CAS.Checksum":true,"DTXSID":"DTXSID3047681","Formula":"C6H10O2","All.Compound.Names":"3,4-hexanedione|Dtxsid3047681","logHenry":-6.14,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7604,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.965,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.05935,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.783,"MP.Reference":"EPA-CCD-OPERA","MW":114.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4437-51-8"}
{"Compound":"Butylene carbonate","CAS":"4437-85-8","CAS.Checksum":true,"DTXSID":"DTXSID9040342","Formula":"C5H8O3","All.Compound.Names":"Butylene carbonate|4-ethyl-1,3-dioxolan-2-one|Dtxsid9040342","logHenry":-7.586,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.03003,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.403,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.00936,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.11,"MP.Reference":"EPA-CCD-OPERA","MW":116.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4437-85-8"}
{"Compound":"Atropine n-oxide","CAS":"4438-22-6","CAS.Checksum":true,"DTXSID":"DTXSID6022632","Formula":"C17H23NO4","All.Compound.Names":"Atropine n-oxide|Dtxsid6022632|4438-22-6","logHenry":-9.574,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.179,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.317,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.709,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.2,"MP.Reference":"EPA-CCD-OPERA","MW":305.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4438-22-6"}
{"Compound":"Vandetanib","CAS":"443913-73-3","CAS.Checksum":true,"DTXSID":"DTXSID1046681","Formula":"C22H24BrFN4O2","All.Compound.Names":"Vandetanib|Dtxsid1046681|443913-73-3","logHenry":-8.768,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.549,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.667,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.877,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.7,"MP.Reference":"EPA-CCD-OPERA","MW":475.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"443913-73-3"}
{"Compound":"Pharmagsid_47315","CAS":"444610-91-7","CAS.Checksum":true,"DTXSID":"DTXSID6047315","Formula":"C33H34F3N3O4S2","All.Compound.Names":"Pharmagsid_47315|Dtxsid6047315|444610-91-7","logHenry":-7.277,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.907,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.47,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.059,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.3,"MP.Reference":"EPA-CCD-OPERA","MW":657.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"444610-91-7"}
{"Compound":"2-methoxy-3,4-dihydro-2h-pyran","CAS":"4454-05-1","CAS.Checksum":true,"DTXSID":"DTXSID9027570","Formula":"C6H10O2","All.Compound.Names":"2-methoxy-3,4-dihydro-2h-pyran|3,4-dihydro-2-methoxy-2h-pyran|Dtxsid9027570","logHenry":-4.992,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6268,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.342,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2297,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.85,"MP.Reference":"EPA-CCD-OPERA","MW":114.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4454-05-1"}
{"Compound":"N-methyldioctylamine","CAS":"4455-26-9","CAS.Checksum":true,"DTXSID":"DTXSID9042209","Formula":"C17H37N","All.Compound.Names":"N-methyldioctylamine|Dtxsid9042209|4455-26-9","logHenry":-4.774,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.812,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.573,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.191,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.7,"MP.Reference":"EPA-CCD-OPERA","MW":255.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4455-26-9"}
{"Compound":"2,4-difluoronitrobenzene","CAS":"446-35-5","CAS.Checksum":true,"DTXSID":"DTXSID0032869","Formula":"C6H3F2NO2","All.Compound.Names":"2,4-difluoronitrobenzene|1-nitro-2,4-difluorobenzene|Dtxsid0032869","logHenry":-2.463,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.95,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.008,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.23,"logWSol.Reference":"EPA-CCD-OPERA","MP":3.132,"MP.Reference":"EPA-CCD-OPERA","MW":159.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"446-35-5"}
{"Compound":"2,4,5-trimethoxybenzaldehyde","CAS":"4460-86-0","CAS.Checksum":true,"DTXSID":"DTXSID1022217","Formula":"C10H12O4","All.Compound.Names":"2,4,5-trimethoxybenzaldehyde|Dtxsid1022217","logHenry":-6.631,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.403,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.728,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.075,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.6,"MP.Reference":"EPA-CCD-OPERA","MW":196.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4460-86-0"}
{"Compound":"3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride","CAS":"4462-55-9","CAS.Checksum":true,"DTXSID":"DTXSID1057747","Formula":"C11H6Cl3NO2","All.Compound.Names":"3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride|Dtxsid1057747","logHenry":-8.392,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.533,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.984,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.82,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.9,"MP.Reference":"EPA-CCD-OPERA","MW":290.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4462-55-9"}
{"Compound":"3-phenylhexane","CAS":"4468-42-2","CAS.Checksum":true,"DTXSID":"DTXSID4041492","Formula":"C12H18","All.Compound.Names":"3-phenylhexane|Dtxsid4041492","logHenry":-1.906,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.483,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2796,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.854,"logWSol.Reference":"EPA-CCD-OPERA","MP":-55.65,"MP.Reference":"EPA-CCD-OPERA","MW":162.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4468-42-2"}
{"Compound":"Nylidrin","CAS":"447-41-6","CAS.Checksum":true,"DTXSID":"DTXSID4023387","Formula":"C19H25NO2","All.Compound.Names":"Nylidrin|Dtxsid4023387|447-41-6","logHenry":-9.2,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.136,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.112,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.134,"logWSol.Reference":"EPA-CCD-OPERA","MP":111.6,"MP.Reference":"EPA-CCD-OPERA","MW":299.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"447-41-6"}
{"Compound":"1-butyl-3-methylimidazolium dicyanamide","CAS":"448245-52-1","CAS.Checksum":true,"DTXSID":"DTXSID9047910","Formula":"C10H15N5","All.Compound.Names":"1-butyl-3-methylimidazolium dicyanamide|448245-52-1","logHenry":-2.07,"logHenry.Reference":"OPERA29","logP":0.77,"logP.Reference":"OPERA29","logWSol":-1.41,"logWSol.Reference":"OPERA29","MP":56,"MP.Reference":"OPERA29","MW":205.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"448245-52-1"}
{"Compound":"2,2'-(methanediyldisulfanediyl)diethanol","CAS":"44860-68-6","CAS.Checksum":true,"DTXSID":"DTXSID0044945","Formula":"C5H12O2S2","All.Compound.Names":"2,2'-(methanediyldisulfanediyl)diethanol|Dtxsid0044945|44860-68-6","logHenry":-6.761,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6117,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.321,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4221,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.8,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"44860-68-6"}
{"Compound":"Ethanaminium, n,n,n-trimethyl-2-[(1-oxo-2-propenyl)oxy]-, chloride","CAS":"44992-01-0","CAS.Checksum":true,"DTXSID":"DTXSID2028016","Formula":"C8H16ClNO2","All.Compound.Names":"Ethanaminium, n,n,n-trimethyl-2-[(1-oxo-2-propenyl)oxy]-, chloride|2-(dimethylamino)ethyl acrylate methochloride|Dtxsid2028016|44992-01-0","logHenry":-3.331,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.692,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.569,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3122,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.6,"MP.Reference":"EPA-CCD-OPERA","MW":193.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"44992-01-0"}
{"Compound":"[(1r)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde","CAS":"4501-58-0","CAS.Checksum":true,"DTXSID":"DTXSID3044756","Formula":"C10H16O","All.Compound.Names":"[(1r)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde|Dtxsid3044756","logHenry":-3.822,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.696,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.148,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.33,"logWSol.Reference":"EPA-CCD-OPERA","MP":3.668,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4501-58-0"}
{"Compound":"1,2-diphenylethanone","CAS":"451-40-1","CAS.Checksum":true,"DTXSID":"DTXSID6044430","Formula":"C14H12O","All.Compound.Names":"1,2-diphenylethanone|Dtxsid6044430","logHenry":-5.253,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.181,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.324,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.834,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.46,"MP.Reference":"EPA-CCD-OPERA","MW":196.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"451-40-1"}
{"Compound":"Ethoxzolamide","CAS":"452-35-7","CAS.Checksum":true,"DTXSID":"DTXSID1023021","Formula":"C9H10N2O3S2","All.Compound.Names":"Ethoxzolamide|452-35-7|Dtxsid1023021","logHenry":-7.375,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.008,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.599,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.809,"logWSol.Reference":"EPA-CCD-OPERA","MP":189,"MP.Reference":"EPA-CCD-OPERA","MW":258.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.65,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"452-35-7"}
{"Compound":"2,3-diaminopyridine","CAS":"452-58-4","CAS.Checksum":true,"DTXSID":"DTXSID0051493","Formula":"C5H7N3","All.Compound.Names":"2,3-diaminopyridine|Dtxsid0051493|452-58-4","logHenry":-7.566,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.334,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.171,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1915,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.8,"MP.Reference":"EPA-CCD-OPERA","MW":109.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"452-58-4"}
{"Compound":"4-methylcatechol","CAS":"452-86-8","CAS.Checksum":true,"DTXSID":"DTXSID5020861","Formula":"C7H8O2","All.Compound.Names":"4-methylcatechol|Dtxsid5020861|452-86-8","logHenry":-6.763,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.366,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4154,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.18,"MP.Reference":"EPA-CCD-OPERA","MW":124.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"452-86-8"}
{"Compound":"2,3-butanedithiol","CAS":"4532-64-3","CAS.Checksum":true,"DTXSID":"DTXSID5047089","Formula":"C4H10S2","All.Compound.Names":"2,3-butanedithiol|Dtxsid5047089|4532-64-3","logHenry":-2.839,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.576,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.594,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.993,"logWSol.Reference":"EPA-CCD-OPERA","MP":-67.23,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4532-64-3"}
{"Compound":"2-methylhexanoic acid","CAS":"4536-23-6","CAS.Checksum":true,"DTXSID":"DTXSID9044241","Formula":"C7H14O2","All.Compound.Names":"2-methylhexanoic acid|Dtxsid9044241|4536-23-6","logHenry":-6.085,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.327,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.653,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.16,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.917,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4536-23-6"}
{"Compound":"2-(dodecyloxy)ethanol","CAS":"4536-30-5","CAS.Checksum":true,"DTXSID":"DTXSID8044676","Formula":"C14H30O2","All.Compound.Names":"2-(dodecyloxy)ethanol|Dtxsid8044676|4536-30-5","logHenry":-4.676,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.396,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.072,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.289,"logWSol.Reference":"EPA-CCD-OPERA","MP":-24.49,"MP.Reference":"EPA-CCD-OPERA","MW":230.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4536-30-5"}
{"Compound":"3-(trifluoromethyl)benzoic acid","CAS":"454-92-2","CAS.Checksum":true,"DTXSID":"DTXSID2041460","Formula":"C8H5F3O2","All.Compound.Names":"3-(trifluoromethyl)benzoic acid|Dtxsid2041460|454-92-2","logHenry":-8.465,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.95,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.79,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.105,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.2,"MP.Reference":"EPA-CCD-OPERA","MW":190.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"454-92-2"}
{"Compound":"Piperilate hydrochloride","CAS":"4544-15-4","CAS.Checksum":true,"DTXSID":"DTXSID2047850","Formula":"C21H26ClNO3","All.Compound.Names":"Piperilate hydrochloride|Dtxsid2047850|4544-15-4","logHenry":-8.278,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.42,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.317,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.678,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.3,"MP.Reference":"EPA-CCD-OPERA","MW":375.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4544-15-4"}
{"Compound":"Fd&c red 4","CAS":"4548-53-2","CAS.Checksum":true,"DTXSID":"DTXSID2021234","Formula":"C18H14N2Na2O7S2","All.Compound.Names":"Fd&c red 4|Dtxsid2021234|4548-53-2","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.184,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.181,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7546,"logWSol.Reference":"EPA-CCD-OPERA","MP":229.9,"MP.Reference":"EPA-CCD-OPERA","MW":480.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4548-53-2"}
{"Compound":"2-methylpentanedinitrile","CAS":"4553-62-2","CAS.Checksum":true,"DTXSID":"DTXSID4025612","Formula":"C6H8N2","All.Compound.Names":"2-methylpentanedinitrile|Dtxsid4025612","logHenry":-6.959,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3037,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.202,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1919,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.44,"MP.Reference":"EPA-CCD-OPERA","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4553-62-2"}
{"Compound":"1,1,3,3-tetrabutylurea","CAS":"4559-86-8","CAS.Checksum":true,"DTXSID":"DTXSID7043902","Formula":"C17H36N2O","All.Compound.Names":"1,1,3,3-tetrabutylurea|Dtxsid7043902|4559-86-8","logHenry":-6.941,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.996,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.626,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.41,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.13,"MP.Reference":"EPA-CCD-OPERA","MW":284.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4559-86-8"}
{"Compound":"Cyclandelate","CAS":"456-59-7","CAS.Checksum":true,"DTXSID":"DTXSID4022862","Formula":"C17H24O3","All.Compound.Names":"Cyclandelate|Dtxsid4022862|456-59-7","logHenry":-9.326,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.357,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.397,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.293,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.01,"MP.Reference":"EPA-CCD-OPERA","MW":276.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"456-59-7"}
{"Compound":"Carbomycin a","CAS":"4564-87-8","CAS.Checksum":true,"DTXSID":"DTXSID5046855","Formula":"C42H67NO16","All.Compound.Names":"Carbomycin a|Dtxsid5046855|4564-87-8","logHenry":-10.15,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.04,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.754,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.384,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.9,"MP.Reference":"EPA-CCD-OPERA","MW":842,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4564-87-8"}
{"Compound":"Triethanolamine stearate","CAS":"4568-28-9","CAS.Checksum":true,"DTXSID":"DTXSID9026219","Formula":"C24H51NO5","All.Compound.Names":"Triethanolamine stearate|Dtxsid9026219|4568-28-9","logHenry":-7.177,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7906,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.83,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.681,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.2,"MP.Reference":"EPA-CCD-OPERA","MW":433.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4568-28-9"}
{"Compound":"Myristyltrimethylammonium chloriden,n,n-trimethyltetradecan-1-aminium chloride","CAS":"4574-04-3","CAS.Checksum":true,"DTXSID":"DTXSID9041289","Formula":"C17H38ClN","All.Compound.Names":"Myristyltrimethylammonium chloriden,n,n-trimethyltetradecan-1-aminium chloride|Myristyltrimethylammonium chloride|Dtxsid9041289|4574-04-3","logHenry":-4.229,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.782,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.154,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.545,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.4,"MP.Reference":"EPA-CCD-OPERA","MW":292,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4574-04-3"}
{"Compound":"Atropine-n-oxide hydrochloride","CAS":"4574-60-1","CAS.Checksum":true,"DTXSID":"DTXSID5045384","Formula":"C17H24ClNO4","All.Compound.Names":"Atropine-n-oxide hydrochloride|Dtxsid5045384|4574-60-1","logHenry":-9.574,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.555,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.05,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.709,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.6,"MP.Reference":"EPA-CCD-OPERA","MW":341.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4574-60-1"}
{"Compound":"Fenfluramine","CAS":"458-24-2","CAS.Checksum":true,"DTXSID":"DTXSID4023044","Formula":"C12H16F3N","All.Compound.Names":"Fenfluramine|458-24-2|Dtxsid4023044","logHenry":-5.285,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.359,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.351,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.731,"MP.Reference":"EPA-CCD-OPERA","MW":231.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.8935,"Human.Foral.Reference":"Musther 2014","Rat.Foral":0.15,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"458-24-2"}
{"Compound":"(2-chloroethyl)dimethylamine hydrochloride","CAS":"4584-46-7","CAS.Checksum":true,"DTXSID":"DTXSID7052109","Formula":"C4H11Cl2N","All.Compound.Names":"(2-chloroethyl)dimethylamine hydrochloride|Dtxsid7052109|4584-46-7","logHenry":-4.414,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.279,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.51,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1014,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.4,"MP.Reference":"EPA-CCD-OPERA","MW":144,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4584-46-7"}
{"Compound":"2-chloropropyldimethylamine hydrochloride","CAS":"4584-49-0","CAS.Checksum":true,"DTXSID":"DTXSID3024780","Formula":"C5H13Cl2N","All.Compound.Names":"2-chloropropyldimethylamine hydrochloride|Dtxsid3024780|4584-49-0","logHenry":-4.437,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.279,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.511,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5515,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.3,"MP.Reference":"EPA-CCD-OPERA","MW":158.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4584-49-0"}
{"Compound":"1,4-dimethylamino-4-nitrostilbene","CAS":"4584-57-0","CAS.Checksum":true,"DTXSID":"DTXSID6049303","Formula":"C16H16N2O2","All.Compound.Names":"1,4-dimethylamino-4-nitrostilbene|Dtxsid6049303|4584-57-0","logHenry":-6.917,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.795,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.801,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.672,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.84,"MP.Reference":"EPA-CCD-OPERA","MW":268.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4584-57-0"}
{"Compound":"4-fluorobenzaldehyde","CAS":"459-57-4","CAS.Checksum":true,"DTXSID":"DTXSID0038756","Formula":"C7H5FO","All.Compound.Names":"4-fluorobenzaldehyde|Dtxsid0038756","logHenry":-5.591,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.541,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.353,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.729,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.44,"MP.Reference":"EPA-CCD-OPERA","MW":124.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"459-57-4"}
{"Compound":"Geranic acid","CAS":"459-80-3","CAS.Checksum":true,"DTXSID":"DTXSID0047115","Formula":"C10H16O2","All.Compound.Names":"Geranic acid|3,7-dimethylocta-2,6-dienoic acid|Dtxsid0047115|459-80-3","logHenry":-6.113,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.993,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.465,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.922,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.303,"MP.Reference":"EPA-CCD-OPERA","MW":168.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"459-80-3"}
{"Compound":"1-bromo-4-fluorobenzene","CAS":"460-00-4","CAS.Checksum":true,"DTXSID":"DTXSID4027153","Formula":"C6H4BrF","All.Compound.Names":"1-bromo-4-fluorobenzene|Dtxsid4027153","logHenry":-3.082,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.079,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8848,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.617,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.55,"MP.Reference":"EPA-CCD-OPERA","MW":175,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"460-00-4"}
{"Compound":"Trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)imide","CAS":"460092-03-9","CAS.Checksum":true,"DTXSID":"DTXSID1049304","Formula":"C34H68F6NO4PS2","All.Compound.Names":"Trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)imide","MW":764,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"460092-03-9"}
{"Compound":"Farnesol","CAS":"4602-84-0","CAS.Checksum":true,"DTXSID":"DTXSID3032389","Formula":"C15H26O","All.Compound.Names":"Farnesol|Dtxsid3032389|4602-84-0","logHenry":-5.797,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.912,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.627,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.101,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.78,"MP.Reference":"EPA-CCD-OPERA","MW":222.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4602-84-0"}
{"Compound":"1-hexyl-3-methylimidazolium trifluoromethanesulfonate","CAS":"460345-16-8","CAS.Checksum":true,"DTXSID":"DTXSID5047871","Formula":"C11H19F3N2O3S","All.Compound.Names":"1-hexyl-3-methylimidazolium trifluoromethanesulfonate|1-methyl-3-hexylimidazolium trifluoromethylsulfonate|Dtxsid5047871|460345-16-8","logHenry":-2.979,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7493,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.058,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.974,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.9,"MP.Reference":"EPA-CCD-OPERA","MW":316.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"460345-16-8"}
{"Compound":"Carnitine hydrochloride","CAS":"461-05-2","CAS.Checksum":true,"DTXSID":"DTXSID8045850","Formula":"C7H16ClNO3","All.Compound.Names":"Carnitine hydrochloride|Dtxsid8045850|461-05-2","logHenry":-6.071,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.474,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.372,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4559,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.1,"MP.Reference":"EPA-CCD-OPERA","MW":197.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"461-05-2"}
{"Compound":"Cyanoguanidine","CAS":"461-58-5","CAS.Checksum":true,"DTXSID":"DTXSID1020354","Formula":"C2H4N4","All.Compound.Names":"Cyanoguanidine|Dtxsid1020354|461-58-5","logHenry":-8.294,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.15,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.388,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3121,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.9,"MP.Reference":"EPA-CCD-OPERA","MW":84.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"461-58-5"}
{"Compound":"Aplaviroc hydrochloride","CAS":"461023-63-2","CAS.Checksum":true,"DTXSID":"DTXSID1047316","Formula":"C33H44ClN3O6","All.Compound.Names":"Aplaviroc hydrochloride|Dtxsid1047316|461023-63-2","logHenry":-8.064,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.447,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.101,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.388,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.8,"MP.Reference":"EPA-CCD-OPERA","MW":614.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.07","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.8,1.69,8.56","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"461023-63-2"}
{"Compound":"Lactulose","CAS":"4618-18-2","CAS.Checksum":true,"DTXSID":"DTXSID5045833","Formula":"C12H22O11","All.Compound.Names":"Lactulose|4618-18-2|Dtxsid5045833","logHenry":-10.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.365,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.93,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.05332,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.4,"MP.Reference":"EPA-CCD-OPERA","MW":342.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.03,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"4618-18-2"}
{"Compound":"Fluorobenzene","CAS":"462-06-6","CAS.Checksum":true,"DTXSID":"DTXSID4025329","Formula":"C6H5F","All.Compound.Names":"Fluorobenzene|Dtxsid4025329","logHenry":-2.206,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.271,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.898,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.799,"logWSol.Reference":"EPA-CCD-OPERA","MP":-42.46,"MP.Reference":"EPA-CCD-OPERA","MW":96.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"462-06-6"}
{"Compound":"3-pyridinamine","CAS":"462-08-8","CAS.Checksum":true,"DTXSID":"DTXSID9047461","Formula":"C5H6N2","All.Compound.Names":"3-pyridinamine|Dtxsid9047461|462-08-8","logHenry":-6.329,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1103,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.876,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.009,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.32,"MP.Reference":"EPA-CCD-OPERA","MW":94.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"462-08-8"}
{"Compound":"Diethoxymethane","CAS":"462-95-3","CAS.Checksum":true,"DTXSID":"DTXSID6052112","Formula":"C5H12O2","All.Compound.Names":"Diethoxymethane|Dtxsid6052112","logHenry":-4.178,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8388,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.328,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2495,"logWSol.Reference":"EPA-CCD-OPERA","MP":-66.53,"MP.Reference":"EPA-CCD-OPERA","MW":104.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"462-95-3"}
{"Compound":"2-(tert-butylamino)ethanol","CAS":"4620-70-6","CAS.Checksum":true,"DTXSID":"DTXSID1044431","Formula":"C6H15NO","All.Compound.Names":"2-(tert-butylamino)ethanol|Dtxsid1044431|4620-70-6","logHenry":-6.958,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4124,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.74,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6519,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.04,"MP.Reference":"EPA-CCD-OPERA","MW":117.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4620-70-6"}
{"Compound":"4-isopropylcyclohexanol","CAS":"4621-04-9","CAS.Checksum":true,"DTXSID":"DTXSID2047149","Formula":"C9H18O","All.Compound.Names":"4-isopropylcyclohexanol|Dtxsid2047149|4621-04-9","logHenry":-4.672,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.921,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.791,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.49,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4621-04-9"}
{"Compound":"Pentyl nitrite","CAS":"463-04-7","CAS.Checksum":true,"DTXSID":"DTXSID3024522","Formula":"C5H11NO2","All.Compound.Names":"Pentyl nitrite|Dtxsid3024522|463-04-7","logHenry":-5.141,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.769,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.461,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.302,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.27,"MP.Reference":"EPA-CCD-OPERA","MW":117.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"463-04-7"}
{"Compound":"Linolenic acid","CAS":"463-40-1","CAS.Checksum":true,"DTXSID":"DTXSID7025506","Formula":"C18H30O2","All.Compound.Names":"Linolenic acid|Dtxsid7025506|463-40-1","logHenry":-7.478,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.463,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.165,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.053,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.292,"MP.Reference":"EPA-CCD-OPERA","MW":278.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"463-40-1"}
{"Compound":"Valencene","CAS":"4630-07-3","CAS.Checksum":true,"DTXSID":"DTXSID8047052","Formula":"C15H24","All.Compound.Names":"Valencene|Dtxsid8047052","logHenry":-2.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.271,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.633,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.775,"logWSol.Reference":"EPA-CCD-OPERA","MP":-16.38,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4630-07-3"}
{"Compound":"Prifinium bromide","CAS":"4630-95-9","CAS.Checksum":true,"DTXSID":"DTXSID3023508","Formula":"C22H28BrN","All.Compound.Names":"Prifinium bromide|Dtxsid3023508|4630-95-9","logHenry":-4.299,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.84,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.67,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.308,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.3,"MP.Reference":"EPA-CCD-OPERA","MW":386.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4630-95-9"}
{"Compound":"3-pentenenitrile","CAS":"4635-87-4","CAS.Checksum":true,"DTXSID":"DTXSID1025851","Formula":"C5H7N","All.Compound.Names":"3-pentenenitrile|Dtxsid1025851","logHenry":-4.33,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1224,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.005,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.957,"logWSol.Reference":"EPA-CCD-OPERA","MP":-70.26,"MP.Reference":"EPA-CCD-OPERA","MW":81.12,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4635-87-4"}
{"Compound":"1-allyloxy-3-chloro-2-propanol","CAS":"4638-03-3","CAS.Checksum":true,"DTXSID":"DTXSID1041261","Formula":"C6H11ClO2","All.Compound.Names":"1-allyloxy-3-chloro-2-propanol|Allyl 3-chloro-2-hydroxypropyl ether|Dtxsid1041261|4638-03-3","logHenry":-6.231,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7491,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.055,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3642,"logWSol.Reference":"EPA-CCD-OPERA","MP":-20.75,"MP.Reference":"EPA-CCD-OPERA","MW":150.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4638-03-3"}
{"Compound":"5-chlorosalicylanilide","CAS":"4638-48-6","CAS.Checksum":true,"DTXSID":"DTXSID9037749","Formula":"C13H10ClNO2","All.Compound.Names":"5-chlorosalicylanilide|Dtxsid9037749","logHenry":-9.361,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.054,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.06,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.147,"logWSol.Reference":"EPA-CCD-OPERA","MP":211,"MP.Reference":"EPA-CCD-OPERA","MW":247.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4638-48-6"}
{"Compound":"[(1s)-endo]-(-)-borneol","CAS":"464-45-9","CAS.Checksum":true,"DTXSID":"DTXSID3022035","Formula":"C10H18O","All.Compound.Names":"[(1s)-endo]-(-)-borneol|Dtxsid3022035|464-45-9","logHenry":-5.045,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.111,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.464,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.32,"logWSol.Reference":"EPA-CCD-OPERA","MP":208.7,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"464-45-9"}
{"Compound":"(1s)-(-)-camphor","CAS":"464-48-2","CAS.Checksum":true,"DTXSID":"DTXSID8022036","Formula":"C10H16O","All.Compound.Names":"(1s)-(-)-camphor|Dtxsid8022036","logHenry":-4.102,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.384,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.462,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.242,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.6,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"464-48-2"}
{"Compound":"D-camphor","CAS":"464-49-3","CAS.Checksum":true,"DTXSID":"DTXSID4024721","Formula":"C10H16O","All.Compound.Names":"D-camphor|Dtxsid4024721","logHenry":-4.102,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.384,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.462,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.242,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.6,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"464-49-3"}
{"Compound":"Methyl triclosan","CAS":"4640-01-1","CAS.Checksum":true,"DTXSID":"DTXSID0047874","Formula":"C13H9Cl3O2","All.Compound.Names":"Methyl triclosan|Dtxsid0047874","logHenry":-4.292,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.841,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.686,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.074,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.6,"MP.Reference":"EPA-CCD-OPERA","MW":303.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4640-01-1"}
{"Compound":"2-octen-4-one","CAS":"4643-27-0","CAS.Checksum":true,"DTXSID":"DTXSID3047134","Formula":"C8H14O","All.Compound.Names":"2-octen-4-one|Dtxsid3047134","logHenry":-4.054,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.573,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.949,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.77,"logWSol.Reference":"EPA-CCD-OPERA","MP":-23,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4643-27-0"}
{"Compound":"Ssr 240612","CAS":"464930-42-5","CAS.Checksum":true,"DTXSID":"DTXSID2047351","Formula":"C42H53ClN4O7S","All.Compound.Names":"Ssr 240612|Dtxsid2047351|464930-42-5","logHenry":-10.33,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.279,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.515,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.988,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.2,"MP.Reference":"EPA-CCD-OPERA","MW":793.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"464930-42-5"}
{"Compound":"Bufogenin","CAS":"465-39-4","CAS.Checksum":true,"DTXSID":"DTXSID0046808","Formula":"C24H32O4","All.Compound.Names":"Bufogenin|Dtxsid0046808|465-39-4","logHenry":-8.811,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.981,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.37,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.015,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.1,"MP.Reference":"EPA-CCD-OPERA","MW":384.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"465-39-4"}
{"Compound":"Isodrin","CAS":"465-73-6","CAS.Checksum":true,"DTXSID":"DTXSID7042065","Formula":"C12H8Cl6","All.Compound.Names":"Isodrin|Rel-(1r,4s,4as,5r,8s,8ar)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|Dtxsid7042065","logHenry":-3.88,"logHenry.Reference":"OPERA29","logP":6.5,"logP.Reference":"OPERA29","logWSol":-7.14,"logWSol.Reference":"OPERA29","MP":241,"MP.Reference":"OPERA29","MW":364.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"465-73-6"}
{"Compound":"Isopropyl methacrylate","CAS":"4655-34-9","CAS.Checksum":true,"DTXSID":"DTXSID6022218","Formula":"C7H12O2","All.Compound.Names":"Isopropyl methacrylate|Dtxsid6022218","logHenry":-3.791,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.25,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.764,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.558,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.76,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4655-34-9"}
{"Compound":"Aziprotryne","CAS":"4658-28-0","CAS.Checksum":true,"DTXSID":"DTXSID3041615","Formula":"C7H11N7S","All.Compound.Names":"Aziprotryne|Dtxsid3041615|4658-28-0","logHenry":-7.193,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.998,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.694,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.61,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.6,"MP.Reference":"EPA-CCD-OPERA","MW":225.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4658-28-0"}
{"Compound":"2,6-dichlorobenzoyl chloride","CAS":"4659-45-4","CAS.Checksum":true,"DTXSID":"DTXSID2032891","Formula":"C7H3Cl3O","All.Compound.Names":"2,6-dichlorobenzoyl chloride|Dtxsid2032891","logHenry":-5.801,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.442,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.875,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.535,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.87,"MP.Reference":"EPA-CCD-OPERA","MW":209.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4659-45-4"}
{"Compound":"Proscillaridin","CAS":"466-06-8","CAS.Checksum":true,"DTXSID":"DTXSID5023532","Formula":"C30H42O8","All.Compound.Names":"Proscillaridin|466-06-8|Dtxsid5023532","logHenry":-8.901,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.476,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.003,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.068,"logWSol.Reference":"EPA-CCD-OPERA","MP":221,"MP.Reference":"EPA-CCD-OPERA","MW":530.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.07,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"466-06-8"}
{"Compound":"Normorphine","CAS":"466-97-7","CAS.Checksum":true,"DTXSID":"DTXSID1049019","Formula":"C16H17NO3","All.Compound.Names":"Normorphine|Dtxsid1049019|466-97-7","logHenry":-10.36,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1684,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.389,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.182,"logWSol.Reference":"EPA-CCD-OPERA","MP":272.9,"MP.Reference":"EPA-CCD-OPERA","MW":271.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"466-97-7"}
{"Compound":"Norcodeine","CAS":"467-15-2","CAS.Checksum":true,"DTXSID":"DTXSID8046327","Formula":"C17H19NO3","All.Compound.Names":"Norcodeine|Dtxsid8046327|467-15-2","logHenry":-9.906,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6905,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.431,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.541,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.7,"MP.Reference":"EPA-CCD-OPERA","MW":285.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"467-15-2"}
{"Compound":"Hecogenin","CAS":"467-55-0","CAS.Checksum":true,"DTXSID":"DTXSID7045310","Formula":"C27H42O4","All.Compound.Names":"Hecogenin|Dtxsid7045310|467-55-0","logHenry":-7.382,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.537,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.777,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.013,"logWSol.Reference":"EPA-CCD-OPERA","MP":266.4,"MP.Reference":"EPA-CCD-OPERA","MW":430.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"467-55-0"}
{"Compound":"Normethadone","CAS":"467-85-6","CAS.Checksum":true,"DTXSID":"DTXSID6057748","Formula":"C20H25NO","All.Compound.Names":"Normethadone|Dtxsid6057748|467-85-6","logHenry":-8.031,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.754,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.858,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.113,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.1,"MP.Reference":"EPA-CCD-OPERA","MW":295.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"467-85-6"}
{"Compound":"Lithium 3-carboxy-5-sulfobenzoate","CAS":"46728-75-0","CAS.Checksum":true,"DTXSID":"DTXSID5044819","Formula":"C8H5LiO7S","All.Compound.Names":"Lithium 3-carboxy-5-sulfobenzoate|Dtxsid5044819|46728-75-0","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6856,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.014,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3396,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.4,"MP.Reference":"EPA-CCD-OPERA","MW":252.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"46728-75-0"}
{"Compound":"Betaprodine","CAS":"468-59-7","CAS.Checksum":true,"DTXSID":"DTXSID1046766","Formula":"C16H23NO2","All.Compound.Names":"Betaprodine|Dtxsid1046766|468-59-7","logHenry":-7.722,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.83,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.662,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.458,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.1,"MP.Reference":"EPA-CCD-OPERA","MW":261.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"468-59-7"}
{"Compound":"Fd&c green no. 1","CAS":"4680-78-8","CAS.Checksum":true,"DTXSID":"DTXSID3020671","Formula":"C37H35N2NaO6S2","All.Compound.Names":"Fd&c green no. 1|Dtxsid3020671|4680-78-8","logHenry":-8.11,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.316,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.438,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.051,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.9,"MP.Reference":"EPA-CCD-OPERA","MW":690.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4680-78-8"}
{"Compound":"Orphenadrine dihydrogen citrate","CAS":"4682-36-4","CAS.Checksum":true,"DTXSID":"DTXSID8044678","Formula":"C24H31NO8","All.Compound.Names":"Orphenadrine dihydrogen citrate|Dtxsid8044678|4682-36-4","logHenry":-5.188,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8372,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.13,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.557,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.8,"MP.Reference":"EPA-CCD-OPERA","MW":461.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4682-36-4"}
{"Compound":"6-chloro-2-picolinic acid","CAS":"4684-94-0","CAS.Checksum":true,"DTXSID":"DTXSID7040289","Formula":"C6H4ClNO2","All.Compound.Names":"6-chloro-2-picolinic acid|Dtxsid7040289|4684-94-0","logHenry":-8.18,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.498,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.145,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.632,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.4,"MP.Reference":"EPA-CCD-OPERA","MW":157.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.45","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4684-94-0"}
{"Compound":"Alpha-cedrene","CAS":"469-61-4","CAS.Checksum":true,"DTXSID":"DTXSID0047032","Formula":"C15H24","All.Compound.Names":"Alpha-cedrene|(-)-alpha-cedrene|Dtxsid0047032","logHenry":-2.275,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.924,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.756,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.368,"logWSol.Reference":"EPA-CCD-OPERA","MP":261.9,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"469-61-4"}
{"Compound":"Kanamycin b","CAS":"4696-76-8","CAS.Checksum":true,"DTXSID":"DTXSID8023185","Formula":"C18H37N5O10","All.Compound.Names":"Kanamycin b|Dtxsid8023185|4696-76-8","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.847,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.45,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7486,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.2,"MP.Reference":"EPA-CCD-OPERA","MW":483.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4696-76-8"}
{"Compound":"Ticarcillin disodium","CAS":"4697-14-7","CAS.Checksum":true,"DTXSID":"DTXSID8045561","Formula":"C15H14N2Na2O6S2","All.Compound.Names":"Ticarcillin disodium|Dtxsid8045561|4697-14-7","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6351,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.724,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.135,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.4,"MP.Reference":"EPA-CCD-OPERA","MW":428.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4697-14-7"}
{"Compound":"1,8-cineol","CAS":"470-82-6","CAS.Checksum":true,"DTXSID":"DTXSID4020616","Formula":"C10H18O","All.Compound.Names":"1,8-cineol|Dtxsid4020616","logHenry":-2.597,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.623,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.808,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.965,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.517,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"470-82-6"}
{"Compound":"Chlorfenvinphos","CAS":"470-90-6","CAS.Checksum":true,"DTXSID":"DTXSID7034250","Formula":"C12H14Cl3O4P","All.Compound.Names":"Chlorfenvinphos|Dtxsid7034250","logHenry":-8.479,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.808,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.796,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.427,"logWSol.Reference":"EPA-CCD-OPERA","MP":-19.7,"MP.Reference":"EPA-CCD-OPERA","MW":359.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"470-90-6"}
{"Compound":"3,5,5-trimethyl-2-cyclohexen-1-ol","CAS":"470-99-5","CAS.Checksum":true,"DTXSID":"DTXSID6047072","Formula":"C9H16O","All.Compound.Names":"3,5,5-trimethyl-2-cyclohexen-1-ol|Dtxsid6047072|470-99-5","logHenry":-5.598,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.907,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.185,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.625,"logWSol.Reference":"EPA-CCD-OPERA","MP":23.26,"MP.Reference":"EPA-CCD-OPERA","MW":140.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"470-99-5"}
{"Compound":"Diphenyl phosphite","CAS":"4712-55-4","CAS.Checksum":true,"DTXSID":"DTXSID7041889","Formula":"C12H11O3P","All.Compound.Names":"Diphenyl phosphite|Dtxsid7041889","logHenry":-5.885,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.521,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.343,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.584,"logWSol.Reference":"EPA-CCD-OPERA","MP":12,"MP.Reference":"EPA-CCD-OPERA","MW":234.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4712-55-4"}
{"Compound":"1,3,5-triazine-1,3,5(2h,4h,6h)-triethanol","CAS":"4719-04-4","CAS.Checksum":true,"DTXSID":"DTXSID7025394","Formula":"C9H21N3O3","All.Compound.Names":"1,3,5-triazine-1,3,5(2h,4h,6h)-triethanol|Triazinetriethanol|Dtxsid7025394|4719-04-4","logHenry":-8.018,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.465,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.787,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1862,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.6,"MP.Reference":"EPA-CCD-OPERA","MW":219.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4719-04-4"}
{"Compound":"2,6,6-trimethyl-1-cyclohexene-1-acetaldehyde","CAS":"472-66-2","CAS.Checksum":true,"DTXSID":"DTXSID0047088","Formula":"C11H18O","All.Compound.Names":"2,6,6-trimethyl-1-cyclohexene-1-acetaldehyde|Beta-homocyclocitral|Dtxsid0047088","logHenry":-4.26,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.998,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.859,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.45,"logWSol.Reference":"EPA-CCD-OPERA","MP":3.473,"MP.Reference":"EPA-CCD-OPERA","MW":166.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"472-66-2"}
{"Compound":"13-cis-retinal","CAS":"472-86-6","CAS.Checksum":true,"DTXSID":"DTXSID0025997","Formula":"C20H28O","All.Compound.Names":"13-cis-retinal|Dtxsid0025997","logHenry":-4.726,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.605,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.11,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.438,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.82,"MP.Reference":"EPA-CCD-OPERA","MW":284.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"472-86-6"}
{"Compound":"Octylphosphonic acid","CAS":"4724-48-5","CAS.Checksum":true,"DTXSID":"DTXSID3044679","Formula":"C8H19O3P","All.Compound.Names":"Octylphosphonic acid|Dtxsid3044679|4724-48-5","logHenry":-6.583,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.436,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.707,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.973,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.85,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4724-48-5"}
{"Compound":"Nitralin","CAS":"4726-14-1","CAS.Checksum":true,"DTXSID":"DTXSID9042203","Formula":"C13H19N3O6S","All.Compound.Names":"Nitralin|Dtxsid9042203|4726-14-1","logHenry":-7.194,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.519,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.367,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.758,"logWSol.Reference":"EPA-CCD-OPERA","MP":150,"MP.Reference":"EPA-CCD-OPERA","MW":345.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4726-14-1"}
{"Compound":"Chaulmosulfone","CAS":"473-32-5","CAS.Checksum":true,"DTXSID":"DTXSID6045959","Formula":"C48H76N2O4S","All.Compound.Names":"Chaulmosulfone|Dtxsid6045959|473-32-5","logHenry":-10.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.354,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.438,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.525,"logWSol.Reference":"EPA-CCD-OPERA","MP":231.2,"MP.Reference":"EPA-CCD-OPERA","MW":777.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"473-32-5"}
{"Compound":"Pinane","CAS":"473-55-2","CAS.Checksum":true,"DTXSID":"DTXSID7025922","Formula":"C10H18","All.Compound.Names":"Pinane|Dtxsid7025922","logHenry":-1.235,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.635,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.07713,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.097,"logWSol.Reference":"EPA-CCD-OPERA","MP":-52.23,"MP.Reference":"EPA-CCD-OPERA","MW":138.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"473-55-2"}
{"Compound":"Chenodeoxycholic acid","CAS":"474-25-9","CAS.Checksum":true,"DTXSID":"DTXSID2020260","Formula":"C24H40O4","All.Compound.Names":"Chenodeoxycholic acid|Dtxsid2020260|474-25-9","logHenry":-8.949,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.009,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.314,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.966,"logWSol.Reference":"EPA-CCD-OPERA","MP":194,"MP.Reference":"EPA-CCD-OPERA","MW":392.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"474-25-9"}
{"Compound":"Sitosterol alpha1","CAS":"474-40-8","CAS.Checksum":true,"DTXSID":"DTXSID5023584","Formula":"C30H50O","All.Compound.Names":"Sitosterol alpha1|Dtxsid5023584|474-40-8","logHenry":-7.323,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.917,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.402,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.671,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.9,"MP.Reference":"EPA-CCD-OPERA","MW":426.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"474-40-8"}
{"Compound":"1-hexylpyridinium tetrafluoroborate","CAS":"474368-70-2","CAS.Checksum":true,"DTXSID":"DTXSID6049305","Formula":"C11H18BF4N","All.Compound.Names":"1-hexylpyridinium tetrafluoroborate|Dtxsid6049305|474368-70-2","logHenry":-2.982,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6104,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.113,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.494,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.73,"MP.Reference":"EPA-CCD-OPERA","MW":251.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"474368-70-2"}
{"Compound":"4-ethylbenzaldehyde","CAS":"4748-78-1","CAS.Checksum":true,"DTXSID":"DTXSID0047080","Formula":"C9H10O","All.Compound.Names":"4-ethylbenzaldehyde|Dtxsid0047080","logHenry":-4.356,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.024,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.82,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.647,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.14,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4748-78-1"}
{"Compound":"Longifolene","CAS":"475-20-7","CAS.Checksum":true,"DTXSID":"DTXSID9047045","Formula":"C15H24","All.Compound.Names":"Longifolene|Dtxsid9047045","logHenry":-2.245,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.643,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.99,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.922,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.9,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"475-20-7"}
{"Compound":"Glycocholic acid","CAS":"475-31-0","CAS.Checksum":true,"DTXSID":"DTXSID2047436","Formula":"C26H43NO6","All.Compound.Names":"Glycocholic acid|Dtxsid2047436|475-31-0","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.651,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.849,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.148,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.5,"MP.Reference":"EPA-CCD-OPERA","MW":465.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"475-31-0"}
{"Compound":"1,4-dichlorophthalazine","CAS":"4752-10-7","CAS.Checksum":true,"DTXSID":"DTXSID1049306","Formula":"C8H4Cl2N2","All.Compound.Names":"1,4-dichlorophthalazine|Dtxsid1049306|4752-10-7","logHenry":-6.29,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.082,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.794,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.978,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.2,"MP.Reference":"EPA-CCD-OPERA","MW":199,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4752-10-7"}
{"Compound":"Sorafenib tosylate","CAS":"475207-59-1","CAS.Checksum":true,"DTXSID":"DTXSID9047839","Formula":"C28H24ClF3N4O6S","All.Compound.Names":"Sorafenib tosylate|Dtxsid9047839|475207-59-1","logHenry":-9.995,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8173,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.621,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.675,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.4,"MP.Reference":"EPA-CCD-OPERA","MW":637,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.57","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"475207-59-1"}
{"Compound":"1-butyl-2,3-dimethylimidazolium bromide","CAS":"475575-45-2","CAS.Checksum":true,"DTXSID":"DTXSID2047931","Formula":"C9H17BrN2","All.Compound.Names":"1-butyl-2,3-dimethylimidazolium bromide|Dtxsid2047931|475575-45-2","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.177,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.961,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.848,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.2,"MP.Reference":"EPA-CCD-OPERA","MW":233.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"475575-45-2"}
{"Compound":"Dimetacrine","CAS":"4757-55-5","CAS.Checksum":true,"DTXSID":"DTXSID4022941","Formula":"C20H26N2","All.Compound.Names":"Dimetacrine|Dtxsid4022941|4757-55-5","logHenry":-5.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.847,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.764,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.235,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.4,"MP.Reference":"EPA-CCD-OPERA","MW":294.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4757-55-5"}
{"Compound":"13-cis retinoic acid","CAS":"4759-48-2","CAS.Checksum":true,"DTXSID":"DTXSID4023177","Formula":"C20H28O2","All.Compound.Names":"13-cis retinoic acid|4759-48-2|Dtxsid4023177","logHenry":-4.403,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.298,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.812,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.976,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.3,"MP.Reference":"EPA-CCD-OPERA","MW":300.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.4,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"4759-48-2"}
{"Compound":"Ellagic acid","CAS":"476-66-4","CAS.Checksum":true,"DTXSID":"DTXSID2020557","Formula":"C14H6O8","All.Compound.Names":"Ellagic acid|Dtxsid2020557|476-66-4","logHenry":-11.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.095,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.326,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.642,"logWSol.Reference":"EPA-CCD-OPERA","MP":310.5,"MP.Reference":"EPA-CCD-OPERA","MW":302.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"476-66-4"}
{"Compound":"3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid","CAS":"4767-03-7","CAS.Checksum":true,"DTXSID":"DTXSID4027577","Formula":"C5H10O4","All.Compound.Names":"3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid|Dtxsid4027577|4767-03-7","logHenry":-7.948,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8536,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.111,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.837,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.9,"MP.Reference":"EPA-CCD-OPERA","MW":134.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4767-03-7"}
{"Compound":"Colcemid","CAS":"477-30-5","CAS.Checksum":true,"DTXSID":"DTXSID7020342","Formula":"C21H25NO5","All.Compound.Names":"Colcemid|Dtxsid7020342|477-30-5","logHenry":-10.21,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.37,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.049,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.454,"logWSol.Reference":"EPA-CCD-OPERA","MP":204,"MP.Reference":"EPA-CCD-OPERA","MW":371.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"477-30-5"}
{"Compound":"Clocapramine","CAS":"47739-98-0","CAS.Checksum":true,"DTXSID":"DTXSID1057749","Formula":"C28H37ClN4O","All.Compound.Names":"Clocapramine|Dtxsid1057749|47739-98-0","logHenry":-7.533,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.561,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.619,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.905,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.1,"MP.Reference":"EPA-CCD-OPERA","MW":481.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"47739-98-0"}
{"Compound":"Fluorosalan","CAS":"4776-06-1","CAS.Checksum":true,"DTXSID":"DTXSID0041985","Formula":"C14H8Br2F3NO2","All.Compound.Names":"Fluorosalan|Dtxsid0041985","logHenry":-9.122,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.787,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.467,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.765,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.8,"MP.Reference":"EPA-CCD-OPERA","MW":439,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4776-06-1"}
{"Compound":"Norfenefrine hydrochloride","CAS":"4779-94-6","CAS.Checksum":true,"DTXSID":"DTXSID1046710","Formula":"C8H12ClNO2","All.Compound.Names":"Norfenefrine hydrochloride|Dtxsid1046710|4779-94-6","logHenry":-8.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.393,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.285,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9917,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.1,"MP.Reference":"EPA-CCD-OPERA","MW":189.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4779-94-6"}
{"Compound":"Rhein","CAS":"478-43-3","CAS.Checksum":true,"DTXSID":"DTXSID4026000","Formula":"C15H8O6","All.Compound.Names":"Rhein|Dtxsid4026000|478-43-3","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.543,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.714,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.79,"logWSol.Reference":"EPA-CCD-OPERA","MP":277.8,"MP.Reference":"EPA-CCD-OPERA","MW":284.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"478-43-3"}
{"Compound":"Pha-00543613","CAS":"478149-53-0","CAS.Checksum":true,"DTXSID":"DTXSID6047284","Formula":"C15H17N3O2","All.Compound.Names":"Pha-00543613|(r)-n-(quinuclidin-3-yl)furo(2,3-c)pyridine-5-carboxamide|Dtxsid6047284|478149-53-0","logHenry":-8.342,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9257,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.17,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.59,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.6,"MP.Reference":"EPA-CCD-OPERA","MW":271.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"478149-53-0"}
{"Compound":"Ave3295","CAS":"478263-98-8","CAS.Checksum":true,"DTXSID":"DTXSID5047372","Formula":"C25H21FN3NaO3S","All.Compound.Names":"Ave3295|Dtxsid5047372|478263-98-8","logHenry":-10.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.947,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.733,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.431,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.6,"MP.Reference":"EPA-CCD-OPERA","MW":485.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"478263-98-8"}
{"Compound":"Oxomemazine hydrochloride","CAS":"4784-40-1","CAS.Checksum":true,"DTXSID":"DTXSID2048612","Formula":"C18H23ClN2O2S","All.Compound.Names":"Oxomemazine hydrochloride|Dtxsid2048612|4784-40-1","logHenry":-5.421,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.034,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.205,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.774,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.6,"MP.Reference":"EPA-CCD-OPERA","MW":366.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4784-40-1"}
{"Compound":"Octoclothepine maleate","CAS":"4789-68-8","CAS.Checksum":true,"DTXSID":"DTXSID6045791","Formula":"C23H25ClN2O4S","All.Compound.Names":"Octoclothepine maleate|Dtxsid6045791|4789-68-8","logHenry":-4.698,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6669,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.9,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.213,"logWSol.Reference":"EPA-CCD-OPERA","MP":157,"MP.Reference":"EPA-CCD-OPERA","MW":461,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4789-68-8"}
{"Compound":"Coumestrol","CAS":"479-13-0","CAS.Checksum":true,"DTXSID":"DTXSID6022399","Formula":"C15H8O5","All.Compound.Names":"Coumestrol|Dtxsid6022399|479-13-0","logHenry":-9.52,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.447,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.878,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.402,"logWSol.Reference":"EPA-CCD-OPERA","MP":259.3,"MP.Reference":"EPA-CCD-OPERA","MW":268.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"479-13-0"}
{"Compound":"Propyphenazone","CAS":"479-92-5","CAS.Checksum":true,"DTXSID":"DTXSID6023529","Formula":"C14H18N2O","All.Compound.Names":"Propyphenazone|Dtxsid6023529|479-92-5","logHenry":-5.556,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.941,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.584,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.933,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.9,"MP.Reference":"EPA-CCD-OPERA","MW":230.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"479-92-5"}
{"Compound":"Pentaethylene glycol","CAS":"4792-15-8","CAS.Checksum":true,"DTXSID":"DTXSID4027579","Formula":"C10H22O6","All.Compound.Names":"Pentaethylene glycol|Dtxsid4027579|4792-15-8","logHenry":-8.733,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4931,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.629,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7455,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.389,"MP.Reference":"EPA-CCD-OPERA","MW":238.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4792-15-8"}
{"Compound":"1-butyl-1-methylpyrrolidinium chloride","CAS":"479500-35-1","CAS.Checksum":true,"DTXSID":"DTXSID1031460","Formula":"C9H20ClN","All.Compound.Names":"1-butyl-1-methylpyrrolidinium chloride|Dtxsid1031460|479500-35-1","logHenry":-1.157,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.649,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.804,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.356,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.6,"MP.Reference":"EPA-CCD-OPERA","MW":177.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"479500-35-1"}
{"Compound":"1,8,9-trihydroxyanthracene","CAS":"480-22-8","CAS.Checksum":true,"DTXSID":"DTXSID7026231","Formula":"C14H10O3","All.Compound.Names":"1,8,9-trihydroxyanthracene|Dtxsid7026231|480-22-8","logHenry":-9.543,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.809,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.416,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.8,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.8,"MP.Reference":"EPA-CCD-OPERA","MW":226.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"480-22-8"}
{"Compound":"2,4,6-trimethylbenzoic acid","CAS":"480-63-7","CAS.Checksum":true,"DTXSID":"DTXSID6048200","Formula":"C10H12O2","All.Compound.Names":"2,4,6-trimethylbenzoic acid|Dtxsid6048200|480-63-7","logHenry":-6.605,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.631,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.093,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.358,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.2,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"480-63-7"}
{"Compound":"Carbenicillin disodium","CAS":"4800-94-6","CAS.Checksum":true,"DTXSID":"DTXSID6045820","Formula":"C17H16N2Na2O6S","All.Compound.Names":"Carbenicillin disodium|Dtxsid6045820|4800-94-6","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.644,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.718,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.971,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.4,"MP.Reference":"EPA-CCD-OPERA","MW":422.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4800-94-6"}
{"Compound":"Dipentenedimercaptan","CAS":"4802-20-4","CAS.Checksum":true,"DTXSID":"DTXSID2025501","Formula":"C10H20S2","All.Compound.Names":"Dipentenedimercaptan|Limonene dimercaptan|Dtxsid2025501|4802-20-4","logHenry":-4.774,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.351,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.349,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.9,"logWSol.Reference":"EPA-CCD-OPERA","MP":-36.93,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4802-20-4"}
{"Compound":"Alpha-santonin","CAS":"481-06-1","CAS.Checksum":true,"DTXSID":"DTXSID7045312","Formula":"C15H18O3","All.Compound.Names":"Alpha-santonin|Dtxsid7045312","logHenry":-7.629,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.457,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.422,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.091,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.8,"MP.Reference":"EPA-CCD-OPERA","MW":246.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"481-06-1"}
{"Compound":"Epitestosterone","CAS":"481-30-1","CAS.Checksum":true,"DTXSID":"DTXSID8022329","Formula":"C19H28O2","All.Compound.Names":"Epitestosterone|Dtxsid8022329|481-30-1","logHenry":-7.152,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.318,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.675,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.04,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.9,"MP.Reference":"EPA-CCD-OPERA","MW":288.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"481-30-1"}
{"Compound":"1,4,5-trihydroxynaphthalene","CAS":"481-40-3","CAS.Checksum":true,"DTXSID":"DTXSID3032759","Formula":"C10H8O3","All.Compound.Names":"1,4,5-trihydroxynaphthalene|Dtxsid3032759|481-40-3","logHenry":-7.581,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.93,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.393,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.221,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.7,"MP.Reference":"EPA-CCD-OPERA","MW":176.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"481-40-3"}
{"Compound":"Cepharanthine","CAS":"481-49-2","CAS.Checksum":true,"DTXSID":"DTXSID6045957","Formula":"C37H38N2O6","All.Compound.Names":"Cepharanthine|Dtxsid6045957|481-49-2","logHenry":-6.619,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.552,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.122,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.974,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.8,"MP.Reference":"EPA-CCD-OPERA","MW":606.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"481-49-2"}
{"Compound":"Aloe-emodin","CAS":"481-72-1","CAS.Checksum":true,"DTXSID":"DTXSID2030695","Formula":"C15H10O5","All.Compound.Names":"Aloe-emodin|Dtxsid2030695|481-72-1","logHenry":-9.757,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.192,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.053,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.746,"logWSol.Reference":"EPA-CCD-OPERA","MP":223.7,"MP.Reference":"EPA-CCD-OPERA","MW":270.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"481-72-1"}
{"Compound":"Chrysophanic acid","CAS":"481-74-3","CAS.Checksum":true,"DTXSID":"DTXSID6024832","Formula":"C15H10O4","All.Compound.Names":"Chrysophanic acid|Dtxsid6024832|481-74-3","logHenry":-9.277,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.9,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.228,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.861,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.3,"MP.Reference":"EPA-CCD-OPERA","MW":254.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"481-74-3"}
{"Compound":"Menadiol","CAS":"481-85-6","CAS.Checksum":true,"DTXSID":"DTXSID5023247","Formula":"C11H10O2","All.Compound.Names":"Menadiol|Dtxsid5023247|481-85-6","logHenry":-6.598,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.337,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.775,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.16,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.6,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"481-85-6"}
{"Compound":"2-isopropoxyphenol","CAS":"4812-20-8","CAS.Checksum":true,"DTXSID":"DTXSID5041431","Formula":"C9H12O2","All.Compound.Names":"2-isopropoxyphenol|Dtxsid5041431|4812-20-8","logHenry":-6.562,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.092,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.254,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.748,"logWSol.Reference":"EPA-CCD-OPERA","MP":3.123,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4812-20-8"}
{"Compound":"2-phenoxyethyl acrylate","CAS":"48145-04-6","CAS.Checksum":true,"DTXSID":"DTXSID4040715","Formula":"C11H12O3","All.Compound.Names":"2-phenoxyethyl acrylate|Dtxsid4040715","logHenry":-6.662,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.542,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.274,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.273,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.02,"MP.Reference":"EPA-CCD-OPERA","MW":192.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"48145-04-6"}
{"Compound":"Imperatorin","CAS":"482-44-0","CAS.Checksum":true,"DTXSID":"DTXSID8048737","Formula":"C16H14O4","All.Compound.Names":"Imperatorin|Dtxsid8048737|482-44-0","logHenry":-7.917,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.299,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.474,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.081,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.1,"MP.Reference":"EPA-CCD-OPERA","MW":270.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"482-44-0"}
{"Compound":"Indigo","CAS":"482-89-3","CAS.Checksum":true,"DTXSID":"DTXSID3026279","Formula":"C16H10N2O2","All.Compound.Names":"Indigo|Indigo dye|Dtxsid3026279|482-89-3","logHenry":-8.704,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.718,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.099,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.568,"logWSol.Reference":"EPA-CCD-OPERA","MP":117.9,"MP.Reference":"EPA-CCD-OPERA","MW":262.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"482-89-3"}
{"Compound":"Thioglycolic acid anilide","CAS":"4822-44-0","CAS.Checksum":true,"DTXSID":"DTXSID6048672","Formula":"C8H9NOS","All.Compound.Names":"Thioglycolic acid anilide|Dtxsid6048672|4822-44-0","logHenry":-8.858,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.465,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.152,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.419,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.7,"MP.Reference":"EPA-CCD-OPERA","MW":167.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4822-44-0"}
{"Compound":"Bromophos-ethyl","CAS":"4824-78-6","CAS.Checksum":true,"DTXSID":"DTXSID6041684","Formula":"C10H12BrCl2O3PS","All.Compound.Names":"Bromophos-ethyl|Dtxsid6041684","logHenry":-5.292,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.147,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.678,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.95,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.95,"MP.Reference":"EPA-CCD-OPERA","MW":394,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4824-78-6"}
{"Compound":"Emetine","CAS":"483-18-1","CAS.Checksum":true,"DTXSID":"DTXSID5022980","Formula":"C29H40N2O4","All.Compound.Names":"Emetine|Dtxsid5022980|483-18-1","logHenry":-10.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.066,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.154,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.082,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.12,"MP.Reference":"EPA-CCD-OPERA","MW":480.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"483-18-1"}
{"Compound":"Indigocarmine","CAS":"483-20-5","CAS.Checksum":true,"DTXSID":"DTXSID0044288","Formula":"C16H10N2O8S2","All.Compound.Names":"Indigocarmine|5,5'-indigotindisulfonic acid|Dtxsid0044288|483-20-5","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8976,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.486,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7828,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.2,"MP.Reference":"EPA-CCD-OPERA","MW":422.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"483-20-5"}
{"Compound":"Crotamiton","CAS":"483-63-6","CAS.Checksum":true,"DTXSID":"DTXSID6040664","Formula":"C13H17NO","All.Compound.Names":"Crotamiton|Dtxsid6040664|483-63-6","logHenry":-7.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.925,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.49,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.707,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.97,"MP.Reference":"EPA-CCD-OPERA","MW":203.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"483-63-6"}
{"Compound":"8-hydroxy-5,7-dinitro-2-naphthalenesulfonic acid","CAS":"483-84-1","CAS.Checksum":true,"DTXSID":"DTXSID4025167","Formula":"C10H6N2O8S","All.Compound.Names":"8-hydroxy-5,7-dinitro-2-naphthalenesulfonic acid|Dtxsid4025167|483-84-1","logHenry":-9.885,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.936,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.184,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5884,"logWSol.Reference":"EPA-CCD-OPERA","MP":165,"MP.Reference":"EPA-CCD-OPERA","MW":314.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"483-84-1"}
{"Compound":"5-methoxypsoralen","CAS":"484-20-8","CAS.Checksum":true,"DTXSID":"DTXSID1025560","Formula":"C12H8O4","All.Compound.Names":"5-methoxypsoralen|Dtxsid1025560|484-20-8","logHenry":-8.52,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.931,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.561,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.679,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.4,"MP.Reference":"EPA-CCD-OPERA","MW":216.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"484-20-8"}
{"Compound":"Dihydralazine","CAS":"484-23-1","CAS.Checksum":true,"DTXSID":"DTXSID0022935","Formula":"C8H10N6","All.Compound.Names":"Dihydralazine|Dtxsid0022935|484-23-1","logHenry":-9.338,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.25,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.951,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.568,"logWSol.Reference":"EPA-CCD-OPERA","MP":233.6,"MP.Reference":"EPA-CCD-OPERA","MW":190.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.64","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"484-23-1"}
{"Compound":"1,4-dioxane-2,3-diol","CAS":"4845-50-5","CAS.Checksum":true,"DTXSID":"DTXSID1038824","Formula":"C4H8O4","All.Compound.Names":"1,4-dioxane-2,3-diol|Dtxsid1038824|4845-50-5","logHenry":-7.491,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.47,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.683,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6686,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.1,"MP.Reference":"EPA-CCD-OPERA","MW":120.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4845-50-5"}
{"Compound":"Karbutilate","CAS":"4849-32-5","CAS.Checksum":true,"DTXSID":"DTXSID0042084","Formula":"C14H21N3O3","All.Compound.Names":"Karbutilate|N-(1,1-dimethylethyl)-, 3-[[(dimethylamino)carbonyl]amino]phenyl ester|Dtxsid0042084|4849-32-5","logHenry":-9.795,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.54,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.728,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.929,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.8,"MP.Reference":"EPA-CCD-OPERA","MW":279.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.94","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4849-32-5"}
{"Compound":"Binapacryl","CAS":"485-31-4","CAS.Checksum":true,"DTXSID":"DTXSID9040269","Formula":"C15H18N2O6","All.Compound.Names":"Binapacryl|Dtxsid9040269|485-31-4","logHenry":-7.682,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.196,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.505,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.03,"MP.Reference":"EPA-CCD-OPERA","MW":322.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"485-31-4"}
{"Compound":"Neocinchophen","CAS":"485-34-7","CAS.Checksum":true,"DTXSID":"DTXSID2046250","Formula":"C19H17NO2","All.Compound.Names":"Neocinchophen|Dtxsid2046250|485-34-7","logHenry":-8.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.268,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.651,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.033,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.82,"MP.Reference":"EPA-CCD-OPERA","MW":291.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"485-34-7"}
{"Compound":"Ninhydrin","CAS":"485-47-2","CAS.Checksum":true,"DTXSID":"DTXSID7025716","Formula":"C9H6O4","All.Compound.Names":"Ninhydrin|Dtxsid7025716|485-47-2","logHenry":-9.367,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6713,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.17,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2687,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.6,"MP.Reference":"EPA-CCD-OPERA","MW":178.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"485-47-2"}
{"Compound":"Formononetin","CAS":"485-72-3","CAS.Checksum":true,"DTXSID":"DTXSID4022311","Formula":"C16H12O4","All.Compound.Names":"Formononetin|Dtxsid4022311|485-72-3","logHenry":-8.568,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.938,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.212,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.918,"logWSol.Reference":"EPA-CCD-OPERA","MP":256.4,"MP.Reference":"EPA-CCD-OPERA","MW":268.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"485-72-3"}
{"Compound":"Oxycinchophen","CAS":"485-89-2","CAS.Checksum":true,"DTXSID":"DTXSID0057750","Formula":"C16H11NO3","All.Compound.Names":"Oxycinchophen|Dtxsid0057750|485-89-2","logHenry":-9.779,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.426,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.85,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.823,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.8,"MP.Reference":"EPA-CCD-OPERA","MW":265.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"485-89-2"}
{"Compound":"Borane - morpholine complex","CAS":"4856-95-5","CAS.Checksum":true,"DTXSID":"DTXSID0052124","Formula":"C4H12BNO","All.Compound.Names":"Borane - morpholine complex|(t-4)-trihydro(morpholine-?n4)boron|Dtxsid0052124|4856-95-5","logHenry":-6.166,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3502,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.656,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.06,"logWSol.Reference":"EPA-CCD-OPERA","MP":-12.4,"MP.Reference":"EPA-CCD-OPERA","MW":101,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4856-95-5"}
{"Compound":"9-fluorenone","CAS":"486-25-9","CAS.Checksum":true,"DTXSID":"DTXSID6049307","Formula":"C13H8O","All.Compound.Names":"9-fluorenone|Dtxsid6049307","logHenry":-6.184,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.579,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.933,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.398,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.18,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"486-25-9"}
{"Compound":"Mersalyl acid","CAS":"486-67-9","CAS.Checksum":true,"DTXSID":"DTXSID3046902","Formula":"C13H17HgNO6","All.Compound.Names":"Mersalyl acid|486-67-9","logHenry":-9.2,"logHenry.Reference":"OPERA29","logP":0.69,"logP.Reference":"OPERA29","logWSol":-2.41,"logWSol.Reference":"OPERA29","MP":98,"MP.Reference":"OPERA29","MW":483.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"486-67-9"}
{"Compound":"Dipyrocetyl","CAS":"486-79-3","CAS.Checksum":true,"DTXSID":"DTXSID9045976","Formula":"C11H10O6","All.Compound.Names":"Dipyrocetyl|Dtxsid9045976|486-79-3","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.177,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.878,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.063,"logWSol.Reference":"EPA-CCD-OPERA","MP":149,"MP.Reference":"EPA-CCD-OPERA","MW":238.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"486-79-3"}
{"Compound":"Hexadecane, 1-chloro-","CAS":"4860-03-1","CAS.Checksum":true,"DTXSID":"DTXSID3027580","Formula":"C16H33Cl","All.Compound.Names":"Hexadecane, 1-chloro-|1-chlorohexadecane|Dtxsid3027580","logHenry":-4.729,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.214,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.00608,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.373,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.76,"MP.Reference":"EPA-CCD-OPERA","MW":260.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4860-03-1"}
{"Compound":"5,7-dimethoxy-2h-chromen-2-one","CAS":"487-06-9","CAS.Checksum":true,"DTXSID":"DTXSID1041421","Formula":"C11H10O4","All.Compound.Names":"5,7-dimethoxy-2h-chromen-2-one|Dtxsid1041421","logHenry":-8.523,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.824,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.633,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.598,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.8,"MP.Reference":"EPA-CCD-OPERA","MW":206.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"487-06-9"}
{"Compound":"2,4,6-trimethylbenzaldehyde","CAS":"487-68-3","CAS.Checksum":true,"DTXSID":"DTXSID5052125","Formula":"C10H12O","All.Compound.Names":"2,4,6-trimethylbenzaldehyde|Dtxsid5052125","logHenry":-4.33,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.24,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.979,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.832,"logWSol.Reference":"EPA-CCD-OPERA","MP":10.01,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"487-68-3"}
{"Compound":"Kainic acid","CAS":"487-79-6","CAS.Checksum":true,"DTXSID":"DTXSID7040526","Formula":"C10H15NO4","All.Compound.Names":"Kainic acid|Dtxsid7040526|487-79-6","logHenry":-9.4,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8951,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.213,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.268,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.3,"MP.Reference":"EPA-CCD-OPERA","MW":213.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.07","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"487-79-6"}
{"Compound":"Bufotenine","CAS":"487-93-4","CAS.Checksum":true,"DTXSID":"DTXSID0048894","Formula":"C12H16N2O","All.Compound.Names":"Bufotenine|Dtxsid0048894|487-93-4","logHenry":-9.217,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.159,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.947,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9882,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.6,"MP.Reference":"EPA-CCD-OPERA","MW":204.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"487-93-4"}
{"Compound":"Jasmone","CAS":"488-10-8","CAS.Checksum":true,"DTXSID":"DTXSID4047092","Formula":"C11H16O","All.Compound.Names":"Jasmone|Dtxsid4047092|Cis-jasmone","logHenry":-3.513,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.837,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.881,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.12,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.03,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"488-10-8"}
{"Compound":"Dibromomannitol","CAS":"488-41-5","CAS.Checksum":true,"DTXSID":"DTXSID7022918","Formula":"C6H12Br2O4","All.Compound.Names":"Dibromomannitol|Dtxsid7022918|488-41-5","logHenry":-8.004,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.242,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.647,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.397,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.5,"MP.Reference":"EPA-CCD-OPERA","MW":308,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"488-41-5"}
{"Compound":"D-arabinitol","CAS":"488-82-4","CAS.Checksum":true,"DTXSID":"DTXSID4045979","Formula":"C5H12O5","All.Compound.Names":"D-arabinitol|Dtxsid4045979|488-82-4","logHenry":-9.379,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.458,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.38,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6241,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.82,"MP.Reference":"EPA-CCD-OPERA","MW":152.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"488-82-4"}
{"Compound":"(-)-eburnamonine","CAS":"4880-88-0","CAS.Checksum":true,"DTXSID":"DTXSID6045119","Formula":"C19H22N2O","All.Compound.Names":"(-)-eburnamonine|Dtxsid6045119|4880-88-0","logHenry":-6.701,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.387,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.532,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.042,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.3,"MP.Reference":"EPA-CCD-OPERA","MW":294.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4880-88-0"}
{"Compound":"Hydrastinine hydrochloride","CAS":"4884-68-8","CAS.Checksum":true,"DTXSID":"DTXSID0047878","Formula":"C11H14ClNO3","All.Compound.Names":"Hydrastinine hydrochloride|Dtxsid0047878|4884-68-8","logHenry":-9.344,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7787,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.736,"logWSol.Reference":"EPA-CCD-OPERA","MP":180,"MP.Reference":"EPA-CCD-OPERA","MW":243.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4884-68-8"}
{"Compound":"2,6-di-tert-butyl-4-methoxyphenol","CAS":"489-01-0","CAS.Checksum":true,"DTXSID":"DTXSID8041379","Formula":"C15H24O2","All.Compound.Names":"2,6-di-tert-butyl-4-methoxyphenol|Dtxsid8041379|489-01-0","logHenry":-5.42,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.318,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.495,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.508,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.41,"MP.Reference":"EPA-CCD-OPERA","MW":236.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"489-01-0"}
{"Compound":"Guaiazulene","CAS":"489-84-9","CAS.Checksum":true,"DTXSID":"DTXSID7045996","Formula":"C15H18","All.Compound.Names":"Guaiazulene|Dtxsid7045996","logHenry":-3.275,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.291,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.143,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.47,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.85,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"489-84-9"}
{"Compound":"(-)-epicatechin","CAS":"490-46-0","CAS.Checksum":true,"DTXSID":"DTXSID4045133","Formula":"C15H14O6","All.Compound.Names":"(-)-epicatechin|Dtxsid4045133|490-46-0","logHenry":-9.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5135,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.961,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.592,"logWSol.Reference":"EPA-CCD-OPERA","MP":284.9,"MP.Reference":"EPA-CCD-OPERA","MW":290.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"490-46-0"}
{"Compound":"Amiphenazole","CAS":"490-55-1","CAS.Checksum":true,"DTXSID":"DTXSID7046388","Formula":"C9H9N3S","All.Compound.Names":"Amiphenazole|Dtxsid7046388|490-55-1","logHenry":-7.012,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.488,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.895,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.005,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.4,"MP.Reference":"EPA-CCD-OPERA","MW":191.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"490-55-1"}
{"Compound":"2,3,4,5-tetrachlorophenol","CAS":"4901-51-3","CAS.Checksum":true,"DTXSID":"DTXSID0022220","Formula":"C6H2Cl4O","All.Compound.Names":"2,3,4,5-tetrachlorophenol|Dtxsid0022220|4901-51-3","logHenry":-6.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.21,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.162,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.268,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.3,"MP.Reference":"EPA-CCD-OPERA","MW":231.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4901-51-3"}
{"Compound":"(2r,5r)-5-methyl-2-(propan-2-yl)cyclohexanone","CAS":"491-07-6","CAS.Checksum":true,"DTXSID":"DTXSID7044475","Formula":"C10H18O","All.Compound.Names":"(2r,5r)-5-methyl-2-(propan-2-yl)cyclohexanone|Dtxsid7044475|Rel-(2r,5r)-5-methyl-2-(1-methylethyl)cyclohexanone","logHenry":-3.951,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.052,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.799,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.447,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.483,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"491-07-6"}
{"Compound":"Lepidine","CAS":"491-35-0","CAS.Checksum":true,"DTXSID":"DTXSID7047067","Formula":"C10H9N","All.Compound.Names":"Lepidine|Dtxsid7047067|491-35-0","logHenry":-4.349,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.608,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.134,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.229,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.83,"MP.Reference":"EPA-CCD-OPERA","MW":143.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"491-35-0"}
{"Compound":"4-hydroxyquinazoline","CAS":"491-36-1","CAS.Checksum":true,"DTXSID":"DTXSID8049412","Formula":"C8H6N2O","All.Compound.Names":"4-hydroxyquinazoline|4(3h)?-?quinazolinone|Dtxsid8049412|491-36-1","logHenry":-8.742,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.768,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.675,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.929,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.5,"MP.Reference":"EPA-CCD-OPERA","MW":146.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.87","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"491-36-1"}
{"Compound":"Chrysarobin","CAS":"491-59-8","CAS.Checksum":true,"DTXSID":"DTXSID1048671","Formula":"C15H12O3","All.Compound.Names":"Chrysarobin|Dtxsid1048671|491-59-8","logHenry":-9.549,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.591,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.649,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.06,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.7,"MP.Reference":"EPA-CCD-OPERA","MW":240.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"491-59-8"}
{"Compound":"N-acetyl-l-aspartyl-l-glutamic acid","CAS":"4910-46-7","CAS.Checksum":true,"DTXSID":"DTXSID0045385","Formula":"C11H16N2O8","All.Compound.Names":"N-acetyl-l-aspartyl-l-glutamic acid|Dtxsid0045385|4910-46-7","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.77,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.24,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.473,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.1,"MP.Reference":"EPA-CCD-OPERA","MW":304.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4910-46-7"}
{"Compound":"Ethanedione,di-2-furanyl-","CAS":"492-94-4","CAS.Checksum":true,"DTXSID":"DTXSID3049413","Formula":"C10H6O4","All.Compound.Names":"Ethanedione,di-2-furanyl-|Alpha-furil|Dtxsid3049413|492-94-4","logHenry":-8.684,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.241,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.095,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.391,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.7,"MP.Reference":"EPA-CCD-OPERA","MW":190.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"492-94-4"}
{"Compound":"4-cyclohexyl-4-methyl-pentan-2-one","CAS":"4927-39-3","CAS.Checksum":true,"DTXSID":"DTXSID8047682","Formula":"C12H22O","All.Compound.Names":"4-cyclohexyl-4-methyl-pentan-2-one|Dtxsid8047682","logHenry":-3.609,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.389,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.341,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.892,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.87,"MP.Reference":"EPA-CCD-OPERA","MW":182.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4927-39-3"}
{"Compound":"Isobutyl (2,4,5-trichlorophenoxy)acetate","CAS":"4938-72-1","CAS.Checksum":true,"DTXSID":"DTXSID2026074","Formula":"C12H13Cl3O3","All.Compound.Names":"Isobutyl (2,4,5-trichlorophenoxy)acetate|Dtxsid2026074","logHenry":-7.735,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.485,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.04,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.273,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.27,"MP.Reference":"EPA-CCD-OPERA","MW":311.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4938-72-1"}
{"Compound":"10,11-dihydro-5h-dibenz[b,f]azepine","CAS":"494-19-9","CAS.Checksum":true,"DTXSID":"DTXSID8049414","Formula":"C14H13N","All.Compound.Names":"10,11-dihydro-5h-dibenz[b,f]azepine|Dtxsid8049414|494-19-9","logHenry":-7.141,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.609,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.593,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.965,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.3,"MP.Reference":"EPA-CCD-OPERA","MW":195.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"494-19-9"}
{"Compound":"L-3-(2'-piperidyl)pyridine","CAS":"494-52-0","CAS.Checksum":true,"DTXSID":"DTXSID9041607","Formula":"C10H14N2","All.Compound.Names":"L-3-(2'-piperidyl)pyridine|Anabasine|Dtxsid9041607|494-52-0","logHenry":-6.546,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.969,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.395,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7815,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.293,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"494-52-0"}
{"Compound":"Menthofuran","CAS":"494-90-6","CAS.Checksum":true,"DTXSID":"DTXSID9025534","Formula":"C10H14O","All.Compound.Names":"Menthofuran|Dtxsid9025534|494-90-6","logHenry":-3.329,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.298,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5565,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.307,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.743,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.76","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"494-90-6"}
{"Compound":"Chromocarb","CAS":"4940-39-0","CAS.Checksum":true,"DTXSID":"DTXSID6045878","Formula":"C10H6O4","All.Compound.Names":"Chromocarb|Dtxsid6045878|4940-39-0","logHenry":-8.684,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.629,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.578,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.194,"logWSol.Reference":"EPA-CCD-OPERA","MP":172,"MP.Reference":"EPA-CCD-OPERA","MW":190.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4940-39-0"}
{"Compound":"Bamipine","CAS":"4945-47-5","CAS.Checksum":true,"DTXSID":"DTXSID5057751","Formula":"C19H24N2","All.Compound.Names":"Bamipine|Dtxsid5057751|4945-47-5","logHenry":-5.27,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.25,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.934,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.559,"logWSol.Reference":"EPA-CCD-OPERA","MP":115,"MP.Reference":"EPA-CCD-OPERA","MW":280.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4945-47-5"}
{"Compound":"N-hydroxybenzamide","CAS":"495-18-1","CAS.Checksum":true,"DTXSID":"DTXSID7025421","Formula":"C7H7NO2","All.Compound.Names":"N-hydroxybenzamide|Benzohydroxamic acid|Dtxsid7025421","logHenry":-8.305,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2631,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.528,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.542,"logWSol.Reference":"EPA-CCD-OPERA","MP":128,"MP.Reference":"EPA-CCD-OPERA","MW":137.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"495-18-1"}
{"Compound":"Butyrophenone","CAS":"495-40-9","CAS.Checksum":true,"DTXSID":"DTXSID3047059","Formula":"C10H12O","All.Compound.Names":"Butyrophenone|Dtxsid3047059","logHenry":-4.124,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.77,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.489,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.864,"logWSol.Reference":"EPA-CCD-OPERA","MP":10.41,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"495-40-9"}
{"Compound":"Azoxybenzene","CAS":"495-48-7","CAS.Checksum":true,"DTXSID":"DTXSID0024555","Formula":"C12H10N2O","All.Compound.Names":"Azoxybenzene|Dtxsid0024555|495-48-7","logHenry":-5.046,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.45,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.393,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.295,"logWSol.Reference":"EPA-CCD-OPERA","MP":36.09,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-1.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"495-48-7"}
{"Compound":"Hippuric acid","CAS":"495-69-2","CAS.Checksum":true,"DTXSID":"DTXSID9046073","Formula":"C9H9NO3","All.Compound.Names":"Hippuric acid|Dtxsid9046073|495-69-2","logHenry":-9.364,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3099,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.783,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.681,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.4,"MP.Reference":"EPA-CCD-OPERA","MW":179.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.676,0.133,3.43","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"495-69-2"}
{"Compound":"Salinazid","CAS":"495-84-1","CAS.Checksum":true,"DTXSID":"DTXSID0046272","Formula":"C13H11N3O2","All.Compound.Names":"Salinazid|Salicylaldehyde isonicotinoylhydrazone|Dtxsid0046272|495-84-1","logHenry":-9.515,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.159,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.85,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.679,"logWSol.Reference":"EPA-CCD-OPERA","MP":231.9,"MP.Reference":"EPA-CCD-OPERA","MW":241.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"495-84-1"}
{"Compound":"Methysticin","CAS":"495-85-2","CAS.Checksum":true,"DTXSID":"DTXSID5033674","Formula":"C15H14O5","All.Compound.Names":"Methysticin|Dtxsid5033674","logHenry":-8.996,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.242,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.162,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.214,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.9,"MP.Reference":"EPA-CCD-OPERA","MW":274.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"495-85-2"}
{"Compound":"Estradiol enanthate","CAS":"4956-37-0","CAS.Checksum":true,"DTXSID":"DTXSID3023001","Formula":"C25H36O3","All.Compound.Names":"Estradiol enanthate|Dtxsid3023001|4956-37-0","logHenry":-8.095,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.061,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.305,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.995,"logWSol.Reference":"EPA-CCD-OPERA","MP":229.8,"MP.Reference":"EPA-CCD-OPERA","MW":384.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4956-37-0"}
{"Compound":"(+)-alpha-methadol hydrochloride","CAS":"49570-63-0","CAS.Checksum":true,"DTXSID":"DTXSID6048917","Formula":"C21H30ClNO","All.Compound.Names":"(+)-alpha-methadol hydrochloride|Dtxsid6048917|49570-63-0","logHenry":-6.613,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9635,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.28,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.713,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.8,"MP.Reference":"EPA-CCD-OPERA","MW":347.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"49570-63-0"}
{"Compound":"Indan","CAS":"496-11-7","CAS.Checksum":true,"DTXSID":"DTXSID4052132","Formula":"C9H10","All.Compound.Names":"Indan|Dtxsid4052132|2,3-dihydro-1h-indene","logHenry":-3.689,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.18,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.144,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.034,"logWSol.Reference":"EPA-CCD-OPERA","MP":-50.58,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"496-11-7"}
{"Compound":"Glycoluril","CAS":"496-46-8","CAS.Checksum":true,"DTXSID":"DTXSID6031380","Formula":"C4H6N4O2","All.Compound.Names":"Glycoluril|Dtxsid6031380|496-46-8","logHenry":-12.43,"logHenry.Reference":"OPERA29","logP":-1.56,"logP.Reference":"OPERA29","logWSol":-2,"logWSol.Reference":"OPERA29","MP":287,"MP.Reference":"OPERA29","MW":142.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"496-46-8"}
{"Compound":"Bromisovalum","CAS":"496-67-3","CAS.Checksum":true,"DTXSID":"DTXSID2040656","Formula":"C6H11BrN2O2","All.Compound.Names":"Bromisovalum|Dtxsid2040656|496-67-3","logHenry":-8.771,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.139,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.032,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.851,"logWSol.Reference":"EPA-CCD-OPERA","MP":154,"MP.Reference":"EPA-CCD-OPERA","MW":223.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"496-67-3"}
{"Compound":"Sulindac sulfide","CAS":"49627-27-2","CAS.Checksum":true,"DTXSID":"DTXSID0049078","Formula":"C20H17FO2S","All.Compound.Names":"Sulindac sulfide|Dtxsid0049078|49627-27-2","logHenry":-7.14,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.823,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.653,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.395,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.8,"MP.Reference":"EPA-CCD-OPERA","MW":340.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"49627-27-2"}
{"Compound":"7-chloro-2-methylquinoline","CAS":"4965-33-7","CAS.Checksum":true,"DTXSID":"DTXSID0057752","Formula":"C10H8ClN","All.Compound.Names":"7-chloro-2-methylquinoline|Dtxsid0057752|4965-33-7","logHenry":-3.876,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.819,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.898,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.338,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.48,"MP.Reference":"EPA-CCD-OPERA","MW":177.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4965-33-7"}
{"Compound":"Eltrombopag","CAS":"496775-61-2","CAS.Checksum":true,"DTXSID":"DTXSID5057753","Formula":"C25H22N4O4","All.Compound.Names":"Eltrombopag|Dtxsid5057753|496775-61-2","logHenry":-8.585,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.748,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.844,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.703,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.5,"MP.Reference":"EPA-CCD-OPERA","MW":442.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"496775-61-2"}
{"Compound":"1-methyl-4-phenyl-4-propionoxypiperidine hydrochloride","CAS":"4968-48-3","CAS.Checksum":true,"DTXSID":"DTXSID0048921","Formula":"C15H22ClNO2","All.Compound.Names":"1-methyl-4-phenyl-4-propionoxypiperidine hydrochloride|Dtxsid0048921|4968-48-3","logHenry":-7.708,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4143,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.379,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.233,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.8,"MP.Reference":"EPA-CCD-OPERA","MW":283.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4968-48-3"}
{"Compound":"Rimexolone","CAS":"49697-38-3","CAS.Checksum":true,"DTXSID":"DTXSID4045474","Formula":"C23H32O4","All.Compound.Names":"Rimexolone|Dtxsid4045474|49697-38-3","logHenry":-10.2,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.52,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.012,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.947,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.7,"MP.Reference":"EPA-CCD-OPERA","MW":372.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"49697-38-3"}
{"Compound":"2-methyl-2-butenal","CAS":"497-03-0","CAS.Checksum":true,"DTXSID":"DTXSID1049308","Formula":"C5H8O","All.Compound.Names":"2-methyl-2-butenal|E-2-methyl-2-butenal|Dtxsid1049308","logHenry":-4.644,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8833,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.343,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5225,"logWSol.Reference":"EPA-CCD-OPERA","MP":-64.79,"MP.Reference":"EPA-CCD-OPERA","MW":84.12,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"497-03-0"}
{"Compound":"4,6-di-tert-butyl-m-cresol","CAS":"497-39-2","CAS.Checksum":true,"DTXSID":"DTXSID1041502","Formula":"C15H24O","All.Compound.Names":"4,6-di-tert-butyl-m-cresol|3-methyl-4,6-di-tert-butylphenol|Dtxsid1041502|497-39-2","logHenry":-5.092,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.991,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.295,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.704,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.45,"MP.Reference":"EPA-CCD-OPERA","MW":220.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"497-39-2"}
{"Compound":"Arbutin","CAS":"497-76-7","CAS.Checksum":true,"DTXSID":"DTXSID7040152","Formula":"C12H16O7","All.Compound.Names":"Arbutin|Dtxsid7040152|497-76-7","logHenry":-8.778,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.35,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.82,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.339,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.5,"MP.Reference":"EPA-CCD-OPERA","MW":272.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"497-76-7"}
{"Compound":"Stiripentol","CAS":"49763-96-4","CAS.Checksum":true,"DTXSID":"DTXSID6049068","Formula":"C14H18O3","All.Compound.Names":"Stiripentol|Dtxsid6049068|49763-96-4","logHenry":-6.836,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.369,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.551,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.06,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.82,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"49763-96-4"}
{"Compound":"N,n-dicyclohexyl-2-benzothiazolesulfenamide","CAS":"4979-32-2","CAS.Checksum":true,"DTXSID":"DTXSID3027584","Formula":"C19H26N2S2","All.Compound.Names":"N,n-dicyclohexyl-2-benzothiazolesulfenamide|Dtxsid3027584|4979-32-2","logHenry":-4.791,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.802,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.897,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.786,"logWSol.Reference":"EPA-CCD-OPERA","MP":99.75,"MP.Reference":"EPA-CCD-OPERA","MW":346.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4979-32-2"}
{"Compound":"Dihydro-alpha-terpineol","CAS":"498-81-7","CAS.Checksum":true,"DTXSID":"DTXSID4041812","Formula":"C10H20O","All.Compound.Names":"Dihydro-alpha-terpineol|Dtxsid4041812|498-81-7","logHenry":-4.768,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.175,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.534,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.655,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.78,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"498-81-7"}
{"Compound":"2,2'-[(3-aminopropyl)imino]diethanol","CAS":"4985-85-7","CAS.Checksum":true,"DTXSID":"DTXSID2044680","Formula":"C7H18N2O2","All.Compound.Names":"2,2'-[(3-aminopropyl)imino]diethanol|Dtxsid2044680|4985-85-7","logHenry":-9.785,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9343,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.825,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8249,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.08,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4985-85-7"}
{"Compound":"Pentaerythritol tetraacrylate","CAS":"4986-89-4","CAS.Checksum":true,"DTXSID":"DTXSID8042264","Formula":"C17H20O8","All.Compound.Names":"Pentaerythritol tetraacrylate|Dtxsid8042264","logHenry":-8.701,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.109,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.04,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.237,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.86,"MP.Reference":"EPA-CCD-OPERA","MW":352.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4986-89-4"}
{"Compound":"Azaclorzine","CAS":"49864-70-2","CAS.Checksum":true,"DTXSID":"DTXSID1046423","Formula":"C22H24ClN3OS","All.Compound.Names":"Azaclorzine|Dtxsid1046423|49864-70-2","logHenry":-6.287,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.536,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.147,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.704,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.4,"MP.Reference":"EPA-CCD-OPERA","MW":414,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"49864-70-2"}
{"Compound":"Isopropyl-o-cresol","CAS":"499-75-2","CAS.Checksum":true,"DTXSID":"DTXSID6042074","Formula":"C10H14O","All.Compound.Names":"Isopropyl-o-cresol|Dtxsid6042074|499-75-2","logHenry":-6.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.487,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.106,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.081,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.721,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"499-75-2"}
{"Compound":"2,6-pyridinedicarboxylic acid","CAS":"499-83-2","CAS.Checksum":true,"DTXSID":"DTXSID7022043","Formula":"C7H5NO4","All.Compound.Names":"2,6-pyridinedicarboxylic acid|Dtxsid7022043|499-83-2","logHenry":-9.765,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3267,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.513,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.525,"logWSol.Reference":"EPA-CCD-OPERA","MP":262.7,"MP.Reference":"EPA-CCD-OPERA","MW":167.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"499-83-2"}
{"Compound":"Thioxolone","CAS":"4991-65-5","CAS.Checksum":true,"DTXSID":"DTXSID5045885","Formula":"C7H4O3S","All.Compound.Names":"Thioxolone|Dtxsid5045885|4991-65-5","logHenry":-9.271,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.333,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.862,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.269,"logWSol.Reference":"EPA-CCD-OPERA","MP":160,"MP.Reference":"EPA-CCD-OPERA","MW":168.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4991-65-5"}
{"Compound":"4-phenyl-1-cyclohexene","CAS":"4994-16-5","CAS.Checksum":true,"DTXSID":"DTXSID9047176","Formula":"C12H14","All.Compound.Names":"4-phenyl-1-cyclohexene|Dtxsid9047176","logHenry":-3.237,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.365,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.364,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.303,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.37,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4994-16-5"}
{"Compound":"Estradiol phosphate","CAS":"4995-43-1","CAS.Checksum":true,"DTXSID":"DTXSID6045086","Formula":"C18H25O5P","All.Compound.Names":"Estradiol phosphate|Dtxsid6045086|4995-43-1","logHenry":-8.659,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.492,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.834,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.264,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.7,"MP.Reference":"EPA-CCD-OPERA","MW":352.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4995-43-1"}
{"Compound":"Cyclohexylamine hydrochloride","CAS":"4998-76-9","CAS.Checksum":true,"DTXSID":"DTXSID0020361","Formula":"C6H14ClN","All.Compound.Names":"Cyclohexylamine hydrochloride|Dtxsid0020361|4998-76-9","logHenry":-5.376,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.463,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.21,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.001,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.2,"MP.Reference":"EPA-CCD-OPERA","MW":135.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4998-76-9"}
{"Compound":"Hydrocortisone acetate","CAS":"50-03-3","CAS.Checksum":true,"DTXSID":"DTXSID0048686","Formula":"C23H32O6","All.Compound.Names":"Hydrocortisone acetate|Dtxsid0048686|50-03-3","logHenry":-10.23,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.193,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.304,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.459,"logWSol.Reference":"EPA-CCD-OPERA","MP":212,"MP.Reference":"EPA-CCD-OPERA","MW":404.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-03-3"}
{"Compound":"Cortisone acetate","CAS":"50-04-4","CAS.Checksum":true,"DTXSID":"DTXSID0022858","Formula":"C23H30O6","All.Compound.Names":"Cortisone acetate|Dtxsid0022858|50-04-4","logHenry":-10.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.103,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.255,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.163,"logWSol.Reference":"EPA-CCD-OPERA","MP":222,"MP.Reference":"EPA-CCD-OPERA","MW":402.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-04-4"}
{"Compound":"Mitomycin c","CAS":"50-07-7","CAS.Checksum":true,"DTXSID":"DTXSID2020898","Formula":"C15H18N4O5","All.Compound.Names":"Mitomycin c|Dtxsid2020898|50-07-7","logHenry":-10.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4015,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.717,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.563,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.9,"MP.Reference":"EPA-CCD-OPERA","MW":334.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-07-7"}
{"Compound":"Oxyphenonium bromide","CAS":"50-10-2","CAS.Checksum":true,"DTXSID":"DTXSID4045632","Formula":"C21H34BrNO3","All.Compound.Names":"Oxyphenonium bromide|Dtxsid4045632|50-10-2","logHenry":-8.353,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.07,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.49,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.241,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.5,"MP.Reference":"EPA-CCD-OPERA","MW":428.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-10-2"}
{"Compound":"Metharbital","CAS":"50-11-3","CAS.Checksum":true,"DTXSID":"DTXSID6023280","Formula":"C9H14N2O3","All.Compound.Names":"Metharbital|Dtxsid6023280|50-11-3","logHenry":-8.211,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.151,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.042,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.077,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.4,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-11-3"}
{"Compound":"Ergocalciferol","CAS":"50-14-6","CAS.Checksum":true,"DTXSID":"DTXSID5020233","Formula":"C28H44O","All.Compound.Names":"Ergocalciferol|Dtxsid5020233|50-14-6","logHenry":-7.477,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.375,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.992,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.904,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.3,"MP.Reference":"EPA-CCD-OPERA","MW":396.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-14-6"}
{"Compound":"Lactic acid","CAS":"50-21-5","CAS.Checksum":true,"DTXSID":"DTXSID7023192","Formula":"C3H6O3","All.Compound.Names":"Lactic acid|Dtxsid7023192|50-21-5","logHenry":-8.049,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7207,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.442,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5083,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.93,"MP.Reference":"EPA-CCD-OPERA","MW":90.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-21-5"}
{"Compound":"2,6-dichlorobenzoic acid","CAS":"50-30-6","CAS.Checksum":true,"DTXSID":"DTXSID0024979","Formula":"C7H4Cl2O2","All.Compound.Names":"2,6-dichlorobenzoic acid|Dtxsid0024979|50-30-6","logHenry":-7.933,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.241,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.529,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.143,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.4,"MP.Reference":"EPA-CCD-OPERA","MW":191,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-30-6"}
{"Compound":"2,3,6-trichlorobenzoic acid","CAS":"50-31-7","CAS.Checksum":true,"DTXSID":"DTXSID6040296","Formula":"C7H3Cl3O2","All.Compound.Names":"2,3,6-trichlorobenzoic acid|Dtxsid6040296|50-31-7","logHenry":-8.695,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.537,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.132,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.475,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.4,"MP.Reference":"EPA-CCD-OPERA","MW":225.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-31-7"}
{"Compound":"Benzo(a)pyrene","CAS":"50-32-8","CAS.Checksum":true,"DTXSID":"DTXSID2020139","Formula":"C20H12","All.Compound.Names":"Benzo(a)pyrene|Benzo(a) pyrene|Benzopyrene|Benzo[a]pyrene|Dtxsid2020139","logHenry":-6.339,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.129,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.484,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.11,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.8,"MP.Reference":"EPA-CCD-OPERA","MW":252.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.713","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0.3826,0.04901,0.7162","Human.Funbound.plasma.Reference":"Paini 2020","Rat.Clint":"21.98","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.03758","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"50-32-8"}
{"Compound":"Phenylbutazone","CAS":"50-33-9","CAS.Checksum":true,"DTXSID":"DTXSID9021136","Formula":"C19H20N2O2","All.Compound.Names":"Phenylbutazone|4-butyl-1,2-diphenyl-3,5-pyrazolidinedione|50-33-9|Dtxsid9021136","logHenry":-7.211,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.161,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.204,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.582,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.2,"MP.Reference":"EPA-CCD-OPERA","MW":308.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"50-33-9"}
{"Compound":"Propantheline bromide","CAS":"50-34-0","CAS.Checksum":true,"DTXSID":"DTXSID2023519","Formula":"C23H30BrNO3","All.Compound.Names":"Propantheline bromide|Dtxsid2023519|50-34-0","logHenry":-6.236,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.792,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.652,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.6,"MP.Reference":"EPA-CCD-OPERA","MW":448.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-34-0"}
{"Compound":"Lysergide","CAS":"50-37-3","CAS.Checksum":true,"DTXSID":"DTXSID1023231","Formula":"C20H25N3O","All.Compound.Names":"Lysergide|Dtxsid1023231|50-37-3","logHenry":-8.893,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.951,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.421,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.486,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.64,"MP.Reference":"EPA-CCD-OPERA","MW":323.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-37-3"}
{"Compound":"Clomiphene citrate","CAS":"50-41-9","CAS.Checksum":true,"DTXSID":"DTXSID8020337","Formula":"C32H36ClNO8","All.Compound.Names":"Clomiphene citrate|Clomiphene citrate (1:1)|Dtxsid8020337|50-41-9","logHenry":-6.751,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8374,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.85,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.378,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.8,"MP.Reference":"EPA-CCD-OPERA","MW":598.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-41-9"}
{"Compound":"Adiphenine hydrochloride","CAS":"50-42-0","CAS.Checksum":true,"DTXSID":"DTXSID0045880","Formula":"C20H26ClNO2","All.Compound.Names":"Adiphenine hydrochloride|Dtxsid0045880|50-42-0","logHenry":-7.428,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.719,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.101,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.694,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.3,"MP.Reference":"EPA-CCD-OPERA","MW":347.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-42-0"}
{"Compound":"2,3-dichlorobenzoic acid","CAS":"50-45-3","CAS.Checksum":true,"DTXSID":"DTXSID5024976","Formula":"C7H4Cl2O2","All.Compound.Names":"2,3-dichlorobenzoic acid|Dtxsid5024976|50-45-3","logHenry":-8.378,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.891,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.863,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.544,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.9,"MP.Reference":"EPA-CCD-OPERA","MW":191,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-45-3"}
{"Compound":"Estradiol benzoate","CAS":"50-50-0","CAS.Checksum":true,"DTXSID":"DTXSID9022998","Formula":"C25H28O3","All.Compound.Names":"Estradiol benzoate|Dtxsid9022998|50-50-0","logHenry":-7.711,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.307,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.047,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.594,"logWSol.Reference":"EPA-CCD-OPERA","MP":196,"MP.Reference":"EPA-CCD-OPERA","MW":376.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-50-0"}
{"Compound":"Lypressin","CAS":"50-57-7","CAS.Checksum":true,"DTXSID":"DTXSID8048575","Formula":"C46H65N13O12S2","All.Compound.Names":"Lypressin|Dtxsid8048575|50-57-7","logHenry":-10.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.04,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.592,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.87,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.5,"MP.Reference":"EPA-CCD-OPERA","MW":1056,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-57-7"}
{"Compound":"Phentolamine","CAS":"50-60-2","CAS.Checksum":true,"DTXSID":"DTXSID4023462","Formula":"C17H19N3O","All.Compound.Names":"Phentolamine|Dtxsid4023462|50-60-2","logHenry":-9.268,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.521,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.573,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.123,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.4,"MP.Reference":"EPA-CCD-OPERA","MW":281.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-60-2"}
{"Compound":"Chloroquine bis(phosphate)","CAS":"50-63-5","CAS.Checksum":true,"DTXSID":"DTXSID7044681","Formula":"C18H32ClN3O8P2","All.Compound.Names":"Chloroquine bis(phosphate)|Dtxsid7044681|50-63-5","logHenry":-8.927,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2647,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.38,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.912,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.4,"MP.Reference":"EPA-CCD-OPERA","MW":515.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-63-5"}
{"Compound":"D-ribose","CAS":"50-69-1","CAS.Checksum":true,"DTXSID":"DTXSID6043917","Formula":"C5H10O5","All.Compound.Names":"D-ribose|Dtxsid6043917|50-69-1","logHenry":-8.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.357,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.534,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4911,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.68,"MP.Reference":"EPA-CCD-OPERA","MW":150.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-69-1"}
{"Compound":"D-glucitol","CAS":"50-70-4","CAS.Checksum":true,"DTXSID":"DTXSID5023588","Formula":"C6H14O6","All.Compound.Names":"D-glucitol|Dtxsid5023588|50-70-4","logHenry":-10.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.38,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.84,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5196,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.3,"MP.Reference":"EPA-CCD-OPERA","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-70-4"}
{"Compound":"Actinomycin d","CAS":"50-76-0","CAS.Checksum":true,"DTXSID":"DTXSID9020031","Formula":"C62H86N12O16","All.Compound.Names":"Actinomycin d|Dtxsid9020031|50-76-0","logHenry":-10.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.415,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.227,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.528,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.4,"MP.Reference":"EPA-CCD-OPERA","MW":1255,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-76-0"}
{"Compound":"2,5-dichlorobenzoic acid","CAS":"50-79-3","CAS.Checksum":true,"DTXSID":"DTXSID5024978","Formula":"C7H4Cl2O2","All.Compound.Names":"2,5-dichlorobenzoic acid|Dtxsid5024978|50-79-3","logHenry":-7.986,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.82,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.958,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.542,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.7,"MP.Reference":"EPA-CCD-OPERA","MW":191,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-79-3"}
{"Compound":"2,4-dichlorobenzoic acid","CAS":"50-84-0","CAS.Checksum":true,"DTXSID":"DTXSID0024977","Formula":"C7H4Cl2O2","All.Compound.Names":"2,4-dichlorobenzoic acid|Dtxsid0024977|50-84-0","logHenry":-8.694,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.857,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.913,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.599,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.5,"MP.Reference":"EPA-CCD-OPERA","MW":191,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-84-0"}
{"Compound":"Thymidine","CAS":"50-89-5","CAS.Checksum":true,"DTXSID":"DTXSID5023661","Formula":"C10H14N2O5","All.Compound.Names":"Thymidine|Dtxsid5023661|50-89-5","logHenry":-10.15,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9302,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.16,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.48,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.4,"MP.Reference":"EPA-CCD-OPERA","MW":242.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50-89-5"}
{"Compound":"Floxuridine","CAS":"50-91-9","CAS.Checksum":true,"DTXSID":"DTXSID3023057","Formula":"C9H11FN2O5","All.Compound.Names":"Floxuridine|50-91-9|Dtxsid3023057","logHenry":-10.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.159,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.38,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.451,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.7,"MP.Reference":"EPA-CCD-OPERA","MW":246.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"50-91-9"}
{"Compound":"D-glucose","CAS":"50-99-7","CAS.Checksum":true,"DTXSID":"DTXSID7022910","Formula":"C6H12O6","All.Compound.Names":"D-glucose|50-99-7|Dtxsid7022910","logHenry":-9.515,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.824,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6744,"logWSol.Reference":"EPA-CCD-OPERA","MP":133,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"50-99-7"}
{"Compound":"1,3,5-triazine-2,4-diamine, n2-(4-chlorophenyl)-","CAS":"500-42-5","CAS.Checksum":true,"DTXSID":"DTXSID0049026","Formula":"C9H8ClN5","All.Compound.Names":"1,3,5-triazine-2,4-diamine, n2-(4-chlorophenyl)-|Chlorazanil|Dtxsid0049026|500-42-5","logHenry":-8.687,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.212,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.016,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.828,"logWSol.Reference":"EPA-CCD-OPERA","MP":233.5,"MP.Reference":"EPA-CCD-OPERA","MW":221.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"500-42-5"}
{"Compound":"Yangonin","CAS":"500-62-9","CAS.Checksum":true,"DTXSID":"DTXSID4034102","Formula":"C15H14O4","All.Compound.Names":"Yangonin|Dtxsid4034102","logHenry":-8.019,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.42,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.262,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.602,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.9,"MP.Reference":"EPA-CCD-OPERA","MW":258.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"500-62-9"}
{"Compound":"Kavain","CAS":"500-64-1","CAS.Checksum":true,"DTXSID":"DTXSID5033595","Formula":"C14H14O3","All.Compound.Names":"Kavain|Dtxsid5033595|(+)-kavain","logHenry":-7.637,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.111,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.069,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.26,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.5,"MP.Reference":"EPA-CCD-OPERA","MW":230.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"500-64-1"}
{"Compound":"Olivetol","CAS":"500-66-3","CAS.Checksum":true,"DTXSID":"DTXSID0025812","Formula":"C11H16O2","All.Compound.Names":"Olivetol|Dtxsid0025812|500-66-3","logHenry":-6.619,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.238,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.829,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.157,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.48,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"500-66-3"}
{"Compound":"Benorylate","CAS":"5003-48-5","CAS.Checksum":true,"DTXSID":"DTXSID5022649","Formula":"C17H15NO5","All.Compound.Names":"Benorylate|Dtxsid5022649|5003-48-5","logHenry":-8.798,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.151,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.467,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.198,"logWSol.Reference":"EPA-CCD-OPERA","MP":175,"MP.Reference":"EPA-CCD-OPERA","MW":313.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5003-48-5"}
{"Compound":"6-hydroxynicotinic acid","CAS":"5006-66-6","CAS.Checksum":true,"DTXSID":"DTXSID0057754","Formula":"C6H5NO3","All.Compound.Names":"6-hydroxynicotinic acid|Dtxsid0057754|5006-66-6","logHenry":-9.361,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3446,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.462,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7677,"logWSol.Reference":"EPA-CCD-OPERA","MP":262.3,"MP.Reference":"EPA-CCD-OPERA","MW":139.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5006-66-6"}
{"Compound":"Kojic acid","CAS":"501-30-4","CAS.Checksum":true,"DTXSID":"DTXSID2040236","Formula":"C6H6O4","All.Compound.Names":"Kojic acid|Dtxsid2040236|501-30-4","logHenry":-8.597,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6397,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.329,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6856,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.4,"MP.Reference":"EPA-CCD-OPERA","MW":142.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"501-30-4"}
{"Compound":"Hydrocinnamic acid","CAS":"501-52-0","CAS.Checksum":true,"DTXSID":"DTXSID2047064","Formula":"C9H10O2","All.Compound.Names":"Hydrocinnamic acid|Dtxsid2047064|501-52-0","logHenry":-7.366,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.842,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.725,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.412,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.9,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"501-52-0"}
{"Compound":"Benzyl chloroformate","CAS":"501-53-1","CAS.Checksum":true,"DTXSID":"DTXSID9027158","Formula":"C8H7ClO2","All.Compound.Names":"Benzyl chloroformate|Dtxsid9027158","logHenry":-7.07,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.662,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.403,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.989,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.34,"MP.Reference":"EPA-CCD-OPERA","MW":170.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"501-53-1"}
{"Compound":"Beclamide","CAS":"501-68-8","CAS.Checksum":true,"DTXSID":"DTXSID5057755","Formula":"C10H12ClNO","All.Compound.Names":"Beclamide|Dtxsid5057755|501-68-8","logHenry":-8.727,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.319,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.756,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.292,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.97,"MP.Reference":"EPA-CCD-OPERA","MW":197.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"501-68-8"}
{"Compound":"2-oxepanone","CAS":"502-44-3","CAS.Checksum":true,"DTXSID":"DTXSID4027159","Formula":"C6H10O2","All.Compound.Names":"2-oxepanone|Caprolactone|Dtxsid4027159","logHenry":-7.543,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.309,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.144,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.807,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.99,"MP.Reference":"EPA-CCD-OPERA","MW":114.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"502-44-3"}
{"Compound":"Citronellic acid","CAS":"502-47-6","CAS.Checksum":true,"DTXSID":"DTXSID1047106","Formula":"C10H18O2","All.Compound.Names":"Citronellic acid|Dtxsid1047106|502-47-6","logHenry":-6.355,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.347,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.19,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.453,"logWSol.Reference":"EPA-CCD-OPERA","MP":254.5,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"502-47-6"}
{"Compound":"2,3-dihydroxypropyl octanoate","CAS":"502-54-5","CAS.Checksum":true,"DTXSID":"DTXSID6048383","Formula":"C11H22O4","All.Compound.Names":"2,3-dihydroxypropyl octanoate|Dtxsid6048383|502-54-5","logHenry":-8.015,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.899,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.192,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.458,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.78,"MP.Reference":"EPA-CCD-OPERA","MW":218.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"502-54-5"}
{"Compound":"Bis(ethylxanthogen)","CAS":"502-55-6","CAS.Checksum":true,"DTXSID":"DTXSID2041672","Formula":"C6H10O2S4","All.Compound.Names":"Bis(ethylxanthogen)|Diethyl dithiobis(thionoformate)|Dtxsid2041672","logHenry":-7.592,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.131,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.655,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.935,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.02,"MP.Reference":"EPA-CCD-OPERA","MW":242.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"502-55-6"}
{"Compound":"Octamylamine","CAS":"502-59-0","CAS.Checksum":true,"DTXSID":"DTXSID0057756","Formula":"C13H29N","All.Compound.Names":"Octamylamine|Dtxsid0057756|502-59-0","logHenry":-4.668,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.547,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.223,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.547,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.445,"MP.Reference":"EPA-CCD-OPERA","MW":199.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"502-59-0"}
{"Compound":"Alpha-farnesene","CAS":"502-61-4","CAS.Checksum":true,"DTXSID":"DTXSID4047202","Formula":"C15H24","All.Compound.Names":"Alpha-farnesene|Dtxsid4047202","logHenry":-2.206,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.517,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3873,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.432,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.64,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"502-61-4"}
{"Compound":"Lycopene","CAS":"502-65-8","CAS.Checksum":true,"DTXSID":"DTXSID2046593","Formula":"C40H56","All.Compound.Names":"Lycopene|All-trans-lycopene|Dtxsid2046593","logHenry":-6.984,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.542,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.134,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.005,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.8,"MP.Reference":"EPA-CCD-OPERA","MW":536.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"502-65-8"}
{"Compound":"Cyclopentadecanone","CAS":"502-72-7","CAS.Checksum":true,"DTXSID":"DTXSID2047141","Formula":"C15H28O","All.Compound.Names":"Cyclopentadecanone|Dtxsid2047141","logHenry":-3.737,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.972,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.442,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.19,"logWSol.Reference":"EPA-CCD-OPERA","MP":23.41,"MP.Reference":"EPA-CCD-OPERA","MW":224.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"502-72-7"}
{"Compound":"Sodium 4-hydroxybutanoate","CAS":"502-85-2","CAS.Checksum":true,"DTXSID":"DTXSID3048940","Formula":"C4H7NaO3","All.Compound.Names":"Sodium 4-hydroxybutanoate|Sodium oxybate|Dtxsid3048940|502-85-2","logHenry":-7.782,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.121,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.261,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4593,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.75,"MP.Reference":"EPA-CCD-OPERA","MW":126.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"502-85-2"}
{"Compound":"Oxiranemethanamine, n-[4-(oxiranylmethoxy)phenyl]-n-(oxiranylmethyl)-","CAS":"5026-74-4","CAS.Checksum":true,"DTXSID":"DTXSID8027585","Formula":"C15H19NO4","All.Compound.Names":"Oxiranemethanamine, n-[4-(oxiranylmethoxy)phenyl]-n-(oxiranylmethyl)-|4-(diglycidylamino)phenyl glycidyl ether|Dtxsid8027585|5026-74-4","logHenry":-5.238,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.503,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.286,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.053,"logWSol.Reference":"EPA-CCD-OPERA","MP":88.66,"MP.Reference":"EPA-CCD-OPERA","MW":277.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5026-74-4"}
{"Compound":"Lonidamine","CAS":"50264-69-2","CAS.Checksum":true,"DTXSID":"DTXSID5020782","Formula":"C15H10Cl2N2O2","All.Compound.Names":"Lonidamine|1-(2,4-dichlorobenzyl)-1h-indazole-3-carboxylic acid|Dtxsid5020782|50264-69-2","logHenry":-9.745,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.514,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.464,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.717,"logWSol.Reference":"EPA-CCD-OPERA","MP":207,"MP.Reference":"EPA-CCD-OPERA","MW":321.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.61","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50264-69-2"}
{"Compound":"1,3-propylene oxide","CAS":"503-30-0","CAS.Checksum":true,"DTXSID":"DTXSID8025969","Formula":"C3H6O","All.Compound.Names":"1,3-propylene oxide|Dtxsid8025969","logHenry":-3.874,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.139,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.399,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.23,"logWSol.Reference":"EPA-CCD-OPERA","MP":-97.11,"MP.Reference":"EPA-CCD-OPERA","MW":58.08,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"503-30-0"}
{"Compound":"Isovaleric acid","CAS":"503-74-2","CAS.Checksum":true,"DTXSID":"DTXSID5029182","Formula":"C5H10O2","All.Compound.Names":"Isovaleric acid|Dtxsid5029182|503-74-2","logHenry":-6.079,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.162,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4007,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.3,"MP.Reference":"EPA-CCD-OPERA","MW":102.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"503-74-2"}
{"Compound":"Dibromopropamidine dihydrochloride","CAS":"50357-61-4","CAS.Checksum":true,"DTXSID":"DTXSID2049054","Formula":"C17H20Br2Cl2N4O2","All.Compound.Names":"Dibromopropamidine dihydrochloride|Dtxsid2049054|50357-61-4","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7486,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.17,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.229,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.8,"MP.Reference":"EPA-CCD-OPERA","MW":543.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50357-61-4"}
{"Compound":"Ethanaminium, n,n,n-trimethyl-2-[(2-methyl-1-oxo-2-propenyl)oxy]-, chloride","CAS":"5039-78-1","CAS.Checksum":true,"DTXSID":"DTXSID3027586","Formula":"C9H18ClNO2","All.Compound.Names":"Ethanaminium, n,n,n-trimethyl-2-[(2-methyl-1-oxo-2-propenyl)oxy]-, chloride|(2-(methacryloyloxy)ethyl)trimethylammonium chloride|Dtxsid3027586|5039-78-1","logHenry":-3.305,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8774,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.411,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.604,"logWSol.Reference":"EPA-CCD-OPERA","MP":133,"MP.Reference":"EPA-CCD-OPERA","MW":207.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5039-78-1"}
{"Compound":"1,3-cyclohexanedione","CAS":"504-02-9","CAS.Checksum":true,"DTXSID":"DTXSID1044433","Formula":"C6H8O2","All.Compound.Names":"1,3-cyclohexanedione|Dtxsid1044433","logHenry":-6.093,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1567,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.375,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1391,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.56,"MP.Reference":"EPA-CCD-OPERA","MW":112.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"504-02-9"}
{"Compound":"Phorone","CAS":"504-20-1","CAS.Checksum":true,"DTXSID":"DTXSID1021584","Formula":"C9H14O","All.Compound.Names":"Phorone|Dtxsid1021584","logHenry":-3.448,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.855,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.462,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.736,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.75,"MP.Reference":"EPA-CCD-OPERA","MW":138.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"504-20-1"}
{"Compound":"2-aminopyridine","CAS":"504-29-0","CAS.Checksum":true,"DTXSID":"DTXSID0024505","Formula":"C5H6N2","All.Compound.Names":"2-aminopyridine|Dtxsid0024505|504-29-0","logHenry":-6.882,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4806,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.201,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9742,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.74,"MP.Reference":"EPA-CCD-OPERA","MW":94.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"504-29-0"}
{"Compound":"1,3-propanediol","CAS":"504-63-2","CAS.Checksum":true,"DTXSID":"DTXSID8041246","Formula":"C3H8O2","All.Compound.Names":"1,3-propanediol|Dtxsid8041246|504-63-2","logHenry":-7.217,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.039,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.923,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9631,"logWSol.Reference":"EPA-CCD-OPERA","MP":-26.78,"MP.Reference":"EPA-CCD-OPERA","MW":76.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"504-63-2"}
{"Compound":"3-nitropropionic acid","CAS":"504-88-1","CAS.Checksum":true,"DTXSID":"DTXSID1020982","Formula":"C3H5NO4","All.Compound.Names":"3-nitropropionic acid|Dtxsid1020982|504-88-1","logHenry":-6.548,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.249,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.531,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6662,"logWSol.Reference":"EPA-CCD-OPERA","MP":62,"MP.Reference":"EPA-CCD-OPERA","MW":119.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"504-88-1"}
{"Compound":"P-n,n-dimethylaminophenethanol","CAS":"50438-75-0","CAS.Checksum":true,"DTXSID":"DTXSID6049309","Formula":"C10H15NO","All.Compound.Names":"P-n,n-dimethylaminophenethanol|Dtxsid6049309|50438-75-0","logHenry":-6.554,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.866,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.588,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.543,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.75,"MP.Reference":"EPA-CCD-OPERA","MW":165.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50438-75-0"}
{"Compound":"1,4-dithiane","CAS":"505-29-3","CAS.Checksum":true,"DTXSID":"DTXSID3024077","Formula":"C4H8S2","All.Compound.Names":"1,4-dithiane|Dtxsid3024077","logHenry":-2.841,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7717,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.535,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.606,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.04,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"505-29-3"}
{"Compound":"Isophytol","CAS":"505-32-8","CAS.Checksum":true,"DTXSID":"DTXSID2025474","Formula":"C20H40O","All.Compound.Names":"Isophytol|Dtxsid2025474|505-32-8","logHenry":-5.224,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.06,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.354,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.922,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.37,"MP.Reference":"EPA-CCD-OPERA","MW":296.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"505-32-8"}
{"Compound":"Octanedioic acid","CAS":"505-48-6","CAS.Checksum":true,"DTXSID":"DTXSID8021644","Formula":"C8H14O4","All.Compound.Names":"Octanedioic acid|Dtxsid8021644|505-48-6","logHenry":-8.574,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.17,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.671,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.171,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.5,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"505-48-6"}
{"Compound":"Tridecanedioic acid","CAS":"505-52-2","CAS.Checksum":true,"DTXSID":"DTXSID9021683","Formula":"C13H24O4","All.Compound.Names":"Tridecanedioic acid|Dtxsid9021683|505-52-2","logHenry":-9.481,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.766,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.43,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.216,"logWSol.Reference":"EPA-CCD-OPERA","MP":111.3,"MP.Reference":"EPA-CCD-OPERA","MW":244.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"505-52-2"}
{"Compound":"3-(methylthio)propyl isothiocyanate","CAS":"505-79-3","CAS.Checksum":true,"DTXSID":"DTXSID3047132","Formula":"C5H9NS2","All.Compound.Names":"3-(methylthio)propyl isothiocyanate|Dtxsid3047132|505-79-3","logHenry":-5.506,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9695,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.899,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.298,"logWSol.Reference":"EPA-CCD-OPERA","MP":-48.2,"MP.Reference":"EPA-CCD-OPERA","MW":147.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"505-79-3"}
{"Compound":"1-(2-chloroethyl)pyrrolidine","CAS":"5050-41-9","CAS.Checksum":true,"DTXSID":"DTXSID4043850","Formula":"C6H12ClN","All.Compound.Names":"1-(2-chloroethyl)pyrrolidine|Dtxsid4043850|5050-41-9","logHenry":-5.012,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.289,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.676,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.044,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.567,"MP.Reference":"EPA-CCD-OPERA","MW":133.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5050-41-9"}
{"Compound":"(+)-2,5-dimethoxyamphetamine hydrochloride","CAS":"50505-85-6","CAS.Checksum":true,"DTXSID":"DTXSID1048887","Formula":"C11H18ClNO2","All.Compound.Names":"(+)-2,5-dimethoxyamphetamine hydrochloride|(2s)-1-(2,5-dimethoxyphenyl)propan-2-amine hydrogen chloride (1:1)|Dtxsid1048887|50505-85-6","logHenry":-8.469,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5178,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.153,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.643,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.4,"MP.Reference":"EPA-CCD-OPERA","MW":231.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50505-85-6"}
{"Compound":"R-(-)-2,5-dimethoxy-4-methylamphetamine hydrochloride","CAS":"50505-88-9","CAS.Checksum":true,"DTXSID":"DTXSID6048884","Formula":"C12H20ClNO2","All.Compound.Names":"R-(-)-2,5-dimethoxy-4-methylamphetamine hydrochloride|Dtxsid6048884|50505-88-9","logHenry":-8.897,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.06629,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.313,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.677,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.2,"MP.Reference":"EPA-CCD-OPERA","MW":245.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50505-88-9"}
{"Compound":"(s)-(+)-2,5-dimethoxy-4-methylamphetamine hydrochloride","CAS":"50505-89-0","CAS.Checksum":true,"DTXSID":"DTXSID1048885","Formula":"C12H20ClNO2","All.Compound.Names":"(s)-(+)-2,5-dimethoxy-4-methylamphetamine hydrochloride|Dtxsid1048885|50505-89-0","logHenry":-8.897,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.06629,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.313,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.677,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.2,"MP.Reference":"EPA-CCD-OPERA","MW":245.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50505-89-0"}
{"Compound":"(+)-2,5-dimethoxy-4-ethylamphetamine hydrochloride","CAS":"50505-91-4","CAS.Checksum":true,"DTXSID":"DTXSID6048888","Formula":"C13H22ClNO2","All.Compound.Names":"(+)-2,5-dimethoxy-4-ethylamphetamine hydrochloride|Dtxsid6048888|50505-91-4","logHenry":-8.962,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1276,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.558,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.361,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.3,"MP.Reference":"EPA-CCD-OPERA","MW":259.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50505-91-4"}
{"Compound":"R-(-)-2,5-dimethoxy-4-bromoamphetamine hydrochloride","CAS":"50505-92-5","CAS.Checksum":true,"DTXSID":"DTXSID6048882","Formula":"C11H17BrClNO2","All.Compound.Names":"R-(-)-2,5-dimethoxy-4-bromoamphetamine hydrochloride|Dtxsid6048882|50505-92-5","logHenry":-8.833,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5374,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.179,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.155,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.2,"MP.Reference":"EPA-CCD-OPERA","MW":310.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50505-92-5"}
{"Compound":"S-(+)-2,5-dimethoxy-4-bromoamphetamine hydrochloride","CAS":"50505-93-6","CAS.Checksum":true,"DTXSID":"DTXSID1048881","Formula":"C11H17BrClNO2","All.Compound.Names":"S-(+)-2,5-dimethoxy-4-bromoamphetamine hydrochloride|Dtxsid1048881|50505-93-6","logHenry":-8.833,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5374,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.179,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.155,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.2,"MP.Reference":"EPA-CCD-OPERA","MW":310.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50505-93-6"}
{"Compound":"Guanabenz","CAS":"5051-62-7","CAS.Checksum":true,"DTXSID":"DTXSID6045666","Formula":"C8H8Cl2N4","All.Compound.Names":"Guanabenz|5051-62-7|Dtxsid6045666","logHenry":-8.691,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.503,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.336,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.436,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.5,"MP.Reference":"EPA-CCD-OPERA","MW":231.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"11.2,4.98,25.3","Human.Caco2.Pab.Reference":"Lanevskij","Human.Foral":0.75,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"5051-62-7"}
{"Compound":"Xilobam","CAS":"50528-97-7","CAS.Checksum":true,"DTXSID":"DTXSID3046164","Formula":"C14H19N3O","All.Compound.Names":"Xilobam|Dtxsid3046164|50528-97-7","logHenry":-8.973,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.51,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.121,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.643,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.29,"MP.Reference":"EPA-CCD-OPERA","MW":245.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50528-97-7"}
{"Compound":"Fenspiride hydrochloride","CAS":"5053-08-7","CAS.Checksum":true,"DTXSID":"DTXSID3045770","Formula":"C15H21ClN2O2","All.Compound.Names":"Fenspiride hydrochloride|Dtxsid3045770|5053-08-7","logHenry":-9.487,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4702,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.81,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.67,"logWSol.Reference":"EPA-CCD-OPERA","MP":115.2,"MP.Reference":"EPA-CCD-OPERA","MW":296.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5053-08-7"}
{"Compound":"Gamolenic acid","CAS":"506-26-3","CAS.Checksum":true,"DTXSID":"DTXSID7046170","Formula":"C18H30O2","All.Compound.Names":"Gamolenic acid|Dtxsid7046170|506-26-3","logHenry":-7.478,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.727,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.901,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.058,"logWSol.Reference":"EPA-CCD-OPERA","MP":10.82,"MP.Reference":"EPA-CCD-OPERA","MW":278.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"506-26-3"}
{"Compound":"N-methylmethanamine hydrochloride","CAS":"506-59-2","CAS.Checksum":true,"DTXSID":"DTXSID8027163","Formula":"C2H8ClN","All.Compound.Names":"N-methylmethanamine hydrochloride|Dtxsid8027163|506-59-2","logHenry":-4.753,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.306,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.714,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.557,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.4,"MP.Reference":"EPA-CCD-OPERA","MW":81.54,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"506-59-2"}
{"Compound":"Potassium silver cyanide","CAS":"506-61-6","CAS.Checksum":true,"DTXSID":"DTXSID5024269","Formula":"C2AgKN2","All.Compound.Names":"Potassium silver cyanide|Dtxsid5024269","logHenry":-3.874,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.604,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.041,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.305,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.6,"MP.Reference":"EPA-CCD-OPERA","MW":199,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"506-61-6"}
{"Compound":"Cyanogen bromide","CAS":"506-68-3","CAS.Checksum":true,"DTXSID":"DTXSID9021550","Formula":"CBrN","All.Compound.Names":"Cyanogen bromide|Dtxsid9021550","logHenry":-2.617,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.588,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.019,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4385,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.58,"MP.Reference":"EPA-CCD-OPERA","MW":105.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"506-68-3"}
{"Compound":"Colestolone","CAS":"50673-97-7","CAS.Checksum":true,"DTXSID":"DTXSID6046212","Formula":"C27H44O2","All.Compound.Names":"Colestolone|Dtxsid6046212|50673-97-7","logHenry":-7.508,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.803,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.539,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.306,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.3,"MP.Reference":"EPA-CCD-OPERA","MW":400.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50673-97-7"}
{"Compound":"T-butylchloride","CAS":"507-20-0","CAS.Checksum":true,"DTXSID":"DTXSID2023937","Formula":"C4H9Cl","All.Compound.Names":"T-butylchloride|Dtxsid2023937","logHenry":-1.701,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.651,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1173,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.99,"logWSol.Reference":"EPA-CCD-OPERA","MP":-27.41,"MP.Reference":"EPA-CCD-OPERA","MW":92.57,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"507-20-0"}
{"Compound":"Cis-nanophine hydrochloride","CAS":"5072-45-7","CAS.Checksum":true,"DTXSID":"DTXSID5045386","Formula":"C7H16ClN","All.Compound.Names":"Cis-nanophine hydrochloride|Dtxsid5045386|5072-45-7","logHenry":-4.973,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2625,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.066,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4132,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.8,"MP.Reference":"EPA-CCD-OPERA","MW":149.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5072-45-7"}
{"Compound":"Acetyl-l-carnitine hydrochloride","CAS":"5080-50-2","CAS.Checksum":true,"DTXSID":"DTXSID3040693","Formula":"C9H18ClNO4","All.Compound.Names":"Acetyl-l-carnitine hydrochloride|Dtxsid3040693|5080-50-2","logHenry":-4.125,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4222,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.737,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2673,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.4,"MP.Reference":"EPA-CCD-OPERA","MW":239.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5080-50-2"}
{"Compound":"3-(2-chloroethyl)quinazoline-2,4(1h,3h)-dione","CAS":"5081-87-8","CAS.Checksum":true,"DTXSID":"DTXSID5057757","Formula":"C10H9ClN2O2","All.Compound.Names":"3-(2-chloroethyl)quinazoline-2,4(1h,3h)-dione|Dtxsid5057757|5081-87-8","logHenry":-8.517,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6575,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.42,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.664,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.2,"MP.Reference":"EPA-CCD-OPERA","MW":224.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5081-87-8"}
{"Compound":"9-decenyl acetate","CAS":"50816-18-7","CAS.Checksum":true,"DTXSID":"DTXSID4047125","Formula":"C12H22O2","All.Compound.Names":"9-decenyl acetate|Dtxsid4047125","logHenry":-3.802,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.254,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.553,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.239,"logWSol.Reference":"EPA-CCD-OPERA","MP":-41.51,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50816-18-7"}
{"Compound":"Tolciclate","CAS":"50838-36-3","CAS.Checksum":true,"DTXSID":"DTXSID0057758","Formula":"C20H21NOS","All.Compound.Names":"Tolciclate|Dtxsid0057758|50838-36-3","logHenry":-8.095,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.359,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.2,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.815,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.12,"MP.Reference":"EPA-CCD-OPERA","MW":323.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50838-36-3"}
{"Compound":"Ibudilast","CAS":"50847-11-5","CAS.Checksum":true,"DTXSID":"DTXSID7049007","Formula":"C14H18N2O","All.Compound.Names":"Ibudilast|Dtxsid7049007|50847-11-5","logHenry":-6.672,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.076,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.281,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.473,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.88,"MP.Reference":"EPA-CCD-OPERA","MW":230.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50847-11-5"}
{"Compound":"Protoporphyrin disodium","CAS":"50865-01-5","CAS.Checksum":true,"DTXSID":"DTXSID8046589","Formula":"C34H32N4Na2O4","All.Compound.Names":"Protoporphyrin disodium|Dtxsid8046589|50865-01-5","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.678,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.853,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.52,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.8,"MP.Reference":"EPA-CCD-OPERA","MW":606.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50865-01-5"}
{"Compound":"(3-chloropropyl)(triethoxy)silane","CAS":"5089-70-3","CAS.Checksum":true,"DTXSID":"DTXSID5029267","Formula":"C9H21ClO3Si","All.Compound.Names":"(3-chloropropyl)(triethoxy)silane|Dtxsid5029267","logHenry":-5.435,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.77,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.516,"logWSol.Reference":"EPA-CCD-OPERA","MP":3.262,"MP.Reference":"EPA-CCD-OPERA","MW":240.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5089-70-3"}
{"Compound":"Tetranitromethane","CAS":"509-14-8","CAS.Checksum":true,"DTXSID":"DTXSID5021334","Formula":"CN4O8","All.Compound.Names":"Tetranitromethane|Dtxsid5021334","logHenry":-6.966,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1097,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.143,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.338,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.81,"MP.Reference":"EPA-CCD-OPERA","MW":196,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"509-14-8"}
{"Compound":"Dihydromorphine","CAS":"509-60-4","CAS.Checksum":true,"DTXSID":"DTXSID7048908","Formula":"C17H21NO3","All.Compound.Names":"Dihydromorphine|Dtxsid7048908|509-60-4","logHenry":-10.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.385,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.804,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.589,"logWSol.Reference":"EPA-CCD-OPERA","MP":240.2,"MP.Reference":"EPA-CCD-OPERA","MW":287.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"509-60-4"}
{"Compound":"Dimenoxadol","CAS":"509-78-4","CAS.Checksum":true,"DTXSID":"DTXSID5057759","Formula":"C20H25NO3","All.Compound.Names":"Dimenoxadol|Dtxsid5057759|509-78-4","logHenry":-8.026,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.243,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.561,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.835,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.19,"MP.Reference":"EPA-CCD-OPERA","MW":327.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"509-78-4"}
{"Compound":"L-nitroarginine methyl ester","CAS":"50903-99-6","CAS.Checksum":true,"DTXSID":"DTXSID5040540","Formula":"C7H15N5O4","All.Compound.Names":"L-nitroarginine methyl ester|Dtxsid5040540|50903-99-6","logHenry":-10.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1267,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.251,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.31,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.5,"MP.Reference":"EPA-CCD-OPERA","MW":233.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50903-99-6"}
{"Compound":"Mizoribine","CAS":"50924-49-7","CAS.Checksum":true,"DTXSID":"DTXSID8045777","Formula":"C9H13N3O6","All.Compound.Names":"Mizoribine|5-hydroxy-1-beta-d-ribofuranosylimidazole-4-carboxamide|Dtxsid8045777|50924-49-7","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.593,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.06,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.354,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.1,"MP.Reference":"EPA-CCD-OPERA","MW":259.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.6","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50924-49-7"}
{"Compound":"Carminomycin","CAS":"50935-04-1","CAS.Checksum":true,"DTXSID":"DTXSID3022742","Formula":"C26H27NO10","All.Compound.Names":"Carminomycin|Carubicin|Dtxsid3022742|50935-04-1","logHenry":-11.44,"logHenry.Reference":"OPERA29","logP":1.2,"logP.Reference":"OPERA29","logWSol":-2.78,"logWSol.Reference":"OPERA29","MP":230,"MP.Reference":"OPERA29","MW":513.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50935-04-1"}
{"Compound":"4-[2-(acryloyloxy)ethoxy]-4-oxobutanoic acid","CAS":"50940-49-3","CAS.Checksum":true,"DTXSID":"DTXSID4044820","Formula":"C9H12O6","All.Compound.Names":"4-[2-(acryloyloxy)ethoxy]-4-oxobutanoic acid|Dtxsid4044820|Acryloyloxyethyl succinate|50940-49-3","logHenry":-8.544,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.01039,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.466,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8842,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.25,"MP.Reference":"EPA-CCD-OPERA","MW":216.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50940-49-3"}
{"Compound":"Diatrizoic acid dihydrate","CAS":"50978-11-5","CAS.Checksum":true,"DTXSID":"DTXSID1048960","Formula":"C11H13I3N2O6","All.Compound.Names":"Diatrizoic acid dihydrate|Dtxsid1048960|50978-11-5","logHenry":-10.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.294,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.098,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.789,"logWSol.Reference":"EPA-CCD-OPERA","MP":242.5,"MP.Reference":"EPA-CCD-OPERA","MW":649.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50978-11-5"}
{"Compound":"Procaine hydrochloride","CAS":"51-05-8","CAS.Checksum":true,"DTXSID":"DTXSID1044435","Formula":"C13H21ClN2O2","All.Compound.Names":"Procaine hydrochloride|Dtxsid1044435|51-05-8","logHenry":-8.788,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5767,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.525,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.5,"MP.Reference":"EPA-CCD-OPERA","MW":272.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51-05-8"}
{"Compound":"Nialamide","CAS":"51-12-7","CAS.Checksum":true,"DTXSID":"DTXSID1023362","Formula":"C16H18N4O2","All.Compound.Names":"Nialamide|Dtxsid1023362|51-12-7","logHenry":-9.381,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8707,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.4,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.874,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.6,"MP.Reference":"EPA-CCD-OPERA","MW":298.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.46","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51-12-7"}
{"Compound":"Benzimidazole","CAS":"51-17-2","CAS.Checksum":true,"DTXSID":"DTXSID8024573","Formula":"C7H6N2","All.Compound.Names":"Benzimidazole|Dtxsid8024573|51-17-2","logHenry":-6.916,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.32,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.394,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.77,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.1,"MP.Reference":"EPA-CCD-OPERA","MW":118.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.41","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51-17-2"}
{"Compound":"Tiratricol","CAS":"51-24-1","CAS.Checksum":true,"DTXSID":"DTXSID2045232","Formula":"C14H9I3O4","All.Compound.Names":"Tiratricol|Dtxsid2045232|51-24-1","logHenry":-8.933,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.82,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.693,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.062,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.6,"MP.Reference":"EPA-CCD-OPERA","MW":621.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51-24-1"}
{"Compound":"3,5-dichlorobenzoic acid","CAS":"51-36-5","CAS.Checksum":true,"DTXSID":"DTXSID4024981","Formula":"C7H4Cl2O2","All.Compound.Names":"3,5-dichlorobenzoic acid|Dtxsid4024981|51-36-5","logHenry":-7.948,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.998,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.771,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.111,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.1,"MP.Reference":"EPA-CCD-OPERA","MW":191,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51-36-5"}
{"Compound":"Norepinephrine","CAS":"51-41-2","CAS.Checksum":true,"DTXSID":"DTXSID5023378","Formula":"C8H11NO3","All.Compound.Names":"Norepinephrine|51-41-2|Dtxsid5023378","logHenry":-10.43,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.241,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.422,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9015,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.7,"MP.Reference":"EPA-CCD-OPERA","MW":169.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.03,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"51-41-2"}
{"Compound":"Epinephrine bitartrate","CAS":"51-42-3","CAS.Checksum":true,"DTXSID":"DTXSID3049415","Formula":"C13H19NO9","All.Compound.Names":"Epinephrine bitartrate|Dtxsid3049415|51-42-3","logHenry":-10.44,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7924,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.611,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.437,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.5,"MP.Reference":"EPA-CCD-OPERA","MW":333.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51-42-3"}
{"Compound":"Epinephrine","CAS":"51-43-4","CAS.Checksum":true,"DTXSID":"DTXSID5022986","Formula":"C9H13NO3","All.Compound.Names":"Epinephrine|(-)-epinephrine|Dtxsid5022986|51-43-4","logHenry":-10.44,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.199,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.603,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.437,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.4,"MP.Reference":"EPA-CCD-OPERA","MW":183.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.955,0.188,4.85","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"51-43-4"}
{"Compound":"3,4-dichlorobenzoic acid","CAS":"51-44-5","CAS.Checksum":true,"DTXSID":"DTXSID9024980","Formula":"C7H4Cl2O2","All.Compound.Names":"3,4-dichlorobenzoic acid|Dtxsid9024980|51-44-5","logHenry":-8.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.243,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.511,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.485,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.4,"MP.Reference":"EPA-CCD-OPERA","MW":191,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51-44-5"}
{"Compound":"Histamine","CAS":"51-45-6","CAS.Checksum":true,"DTXSID":"DTXSID4023125","Formula":"C5H9N3","All.Compound.Names":"Histamine|Dtxsid4023125|51-45-6","logHenry":-6.691,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6982,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.487,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2962,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.01,"MP.Reference":"EPA-CCD-OPERA","MW":111.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51-45-6"}
{"Compound":"Homatropine hbr","CAS":"51-56-9","CAS.Checksum":true,"DTXSID":"DTXSID5045099","Formula":"C16H22BrNO3","All.Compound.Names":"Homatropine hbr|Homatropine hydrobromide|Dtxsid5045099|51-56-9","logHenry":-9.502,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.398,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.144,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.3,"MP.Reference":"EPA-CCD-OPERA","MW":356.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51-56-9"}
{"Compound":"S-(+)-methamphetamine hydrochloride","CAS":"51-57-0","CAS.Checksum":true,"DTXSID":"DTXSID8048864","Formula":"C10H16ClN","All.Compound.Names":"S-(+)-methamphetamine hydrochloride|Dtxsid8048864|51-57-0","logHenry":-5.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.0311,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.161,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.495,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.6,"MP.Reference":"EPA-CCD-OPERA","MW":185.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51-57-0"}
{"Compound":"4-fluoro-dl-phenylalanine","CAS":"51-65-0","CAS.Checksum":true,"DTXSID":"DTXSID3025332","Formula":"C9H10FNO2","All.Compound.Names":"4-fluoro-dl-phenylalanine|Dtxsid3025332|51-65-0","logHenry":-9.053,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.887,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.727,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6553,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.7,"MP.Reference":"EPA-CCD-OPERA","MW":183.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.25","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51-65-0"}
{"Compound":"N-(4-methoxyphenyl)acetamide","CAS":"51-66-1","CAS.Checksum":true,"DTXSID":"DTXSID6026325","Formula":"C9H11NO2","All.Compound.Names":"N-(4-methoxyphenyl)acetamide|4'-methoxyacetanilide|Dtxsid6026325|51-66-1","logHenry":-8.453,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.033,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.639,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.175,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.6,"MP.Reference":"EPA-CCD-OPERA","MW":165.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"13.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51-66-1"}
{"Compound":"Tyramine","CAS":"51-67-2","CAS.Checksum":true,"DTXSID":"DTXSID2043874","Formula":"C8H11NO","All.Compound.Names":"Tyramine|Dtxsid2043874|51-67-2","logHenry":-7.053,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4753,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.326,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.12,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.3,"MP.Reference":"EPA-CCD-OPERA","MW":137.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51-67-2"}
{"Compound":"Gefarnate","CAS":"51-77-4","CAS.Checksum":true,"DTXSID":"DTXSID0048636","Formula":"C27H44O2","All.Compound.Names":"Gefarnate|Dtxsid0048636","logHenry":-6.604,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.535,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.175,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.906,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.9,"MP.Reference":"EPA-CCD-OPERA","MW":400.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51-77-4"}
{"Compound":"Urethane","CAS":"51-79-6","CAS.Checksum":true,"DTXSID":"DTXSID9021427","Formula":"C3H7NO2","All.Compound.Names":"Urethane|Dtxsid9021427|51-79-6","logHenry":-6.255,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1513,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.574,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8475,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.06,"MP.Reference":"EPA-CCD-OPERA","MW":89.09,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51-79-6"}
{"Compound":"Carbachol","CAS":"51-83-2","CAS.Checksum":true,"DTXSID":"DTXSID9022730","Formula":"C6H15ClN2O2","All.Compound.Names":"Carbachol|Dtxsid9022730|51-83-2","logHenry":-6.028,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1371,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.81,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.0643,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.6,"MP.Reference":"EPA-CCD-OPERA","MW":182.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51-83-2"}
{"Compound":"Norethindrone acetate","CAS":"51-98-9","CAS.Checksum":true,"DTXSID":"DTXSID4023381","Formula":"C22H28O3","All.Compound.Names":"Norethindrone acetate|Dtxsid4023381","logHenry":-6.696,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.438,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.442,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.797,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.5,"MP.Reference":"EPA-CCD-OPERA","MW":340.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51-98-9"}
{"Compound":"Santonic acid","CAS":"510-35-0","CAS.Checksum":true,"DTXSID":"DTXSID3046871","Formula":"C15H20O4","All.Compound.Names":"Santonic acid|Dtxsid3046871|510-35-0","logHenry":-8.471,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7612,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.205,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.396,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.4,"MP.Reference":"EPA-CCD-OPERA","MW":264.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"510-35-0"}
{"Compound":"Ami-193","CAS":"510-74-7","CAS.Checksum":true,"DTXSID":"DTXSID6042579","Formula":"C22H26FN3O2","All.Compound.Names":"Ami-193|Dtxsid6042579|510-74-7","logHenry":-8.128,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.675,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.628,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.669,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.7,"MP.Reference":"EPA-CCD-OPERA","MW":383.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.79","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"510-74-7"}
{"Compound":"Vinyl neodecanoate","CAS":"51000-52-3","CAS.Checksum":true,"DTXSID":"DTXSID8029369","All.Compound.Names":"Vinyl neodecanoate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51000-52-3"}
{"Compound":"Tiapride hydrochloride","CAS":"51012-33-0","CAS.Checksum":true,"DTXSID":"DTXSID4045210","Formula":"C15H25ClN2O4S","All.Compound.Names":"Tiapride hydrochloride|Dtxsid4045210|51012-33-0","logHenry":-9.858,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2564,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.53,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.414,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.8,"MP.Reference":"EPA-CCD-OPERA","MW":364.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51012-33-0"}
{"Compound":"Amcinonide","CAS":"51022-69-6","CAS.Checksum":true,"DTXSID":"DTXSID6045905","Formula":"C28H35FO7","All.Compound.Names":"Amcinonide|Dtxsid6045905|51022-69-6","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.741,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.491,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.861,"logWSol.Reference":"EPA-CCD-OPERA","MP":262.1,"MP.Reference":"EPA-CCD-OPERA","MW":502.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51022-69-6"}
{"Compound":"Biliscopin","CAS":"51022-74-3","CAS.Checksum":true,"DTXSID":"DTXSID3048782","Formula":"C22H18I6N2O9","All.Compound.Names":"Biliscopin|Dtxsid3048782|51022-74-3","logHenry":-10.05,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.004,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.571,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.583,"logWSol.Reference":"EPA-CCD-OPERA","MP":233.6,"MP.Reference":"EPA-CCD-OPERA","MW":1216,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51022-74-3"}
{"Compound":"Butirosin disulfate","CAS":"51022-98-1","CAS.Checksum":true,"DTXSID":"DTXSID4045476","Formula":"C21H45N5O20S2","All.Compound.Names":"Butirosin disulfate|Dtxsid4045476|51022-98-1","logHenry":-10.62,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8073,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.806,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5794,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.3,"MP.Reference":"EPA-CCD-OPERA","MW":751.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51022-98-1"}
{"Compound":"Cis-chlordane","CAS":"5103-71-9","CAS.Checksum":true,"DTXSID":"DTXSID6038326","Formula":"C10H6Cl8","All.Compound.Names":"Cis-chlordane|Dtxsid6038326","logHenry":-3.535,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.12,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.874,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.611,"logWSol.Reference":"EPA-CCD-OPERA","MP":106,"MP.Reference":"EPA-CCD-OPERA","MW":409.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5103-71-9"}
{"Compound":"Gamma-chlordane","CAS":"5103-74-2","CAS.Checksum":true,"DTXSID":"DTXSID4038346","Formula":"C10H6Cl8","All.Compound.Names":"Gamma-chlordane|Trans-chlordane|Dtxsid4038346","logHenry":-3.535,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.12,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.874,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.611,"logWSol.Reference":"EPA-CCD-OPERA","MP":106,"MP.Reference":"EPA-CCD-OPERA","MW":409.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5103-74-2"}
{"Compound":"Acipimox","CAS":"51037-30-0","CAS.Checksum":true,"DTXSID":"DTXSID2046202","Formula":"C6H6N2O3","All.Compound.Names":"Acipimox|51037-30-0|Dtxsid2046202","logHenry":-8.437,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.06039,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.349,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8102,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.4,"MP.Reference":"EPA-CCD-OPERA","MW":154.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"51037-30-0"}
{"Compound":"Flurbiprofen","CAS":"5104-49-4","CAS.Checksum":true,"DTXSID":"DTXSID0037231","Formula":"C15H13FO2","All.Compound.Names":"Flurbiprofen|5104-49-4|Dtxsid0037231","logHenry":-9.018,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.157,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.654,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.293,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.7,"MP.Reference":"EPA-CCD-OPERA","MW":244.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"26.9,11.9,60.7","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"5.94","Human.Clint.Reference":"Zanelli 2012","Human.Foral":0.92,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"5104-49-4"}
{"Compound":"Pridinol","CAS":"511-45-5","CAS.Checksum":true,"DTXSID":"DTXSID0045090","Formula":"C20H25NO","All.Compound.Names":"Pridinol|Dtxsid0045090|511-45-5","logHenry":-6.543,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.518,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.694,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.543,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.4,"MP.Reference":"EPA-CCD-OPERA","MW":295.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"511-45-5"}
{"Compound":"Dexibuprofen","CAS":"51146-56-6","CAS.Checksum":true,"DTXSID":"DTXSID9048724","Formula":"C13H18O2","All.Compound.Names":"Dexibuprofen|Dtxsid9048724|51146-56-6","logHenry":-7.087,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.735,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.022,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.758,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.4,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51146-56-6"}
{"Compound":"1-(morpholin-4-yl)prop-2-en-1-one","CAS":"5117-12-4","CAS.Checksum":true,"DTXSID":"DTXSID0044947","Formula":"C7H11NO2","All.Compound.Names":"1-(morpholin-4-yl)prop-2-en-1-one|4-(1-oxo-2-propenyl)-morpholine|Dtxsid0044947|5117-12-4","logHenry":-6.666,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2794,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.597,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5768,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.91,"MP.Reference":"EPA-CCD-OPERA","MW":141.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5117-12-4"}
{"Compound":"Sodium methyl sulfate","CAS":"512-42-5","CAS.Checksum":true,"DTXSID":"DTXSID0042406","Formula":"CH3NaO4S","All.Compound.Names":"Sodium methyl sulfate|Dtxsid0042406|512-42-5","logHenry":-7.398,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.369,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.561,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1809,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.1,"MP.Reference":"EPA-CCD-OPERA","MW":134.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"512-42-5"}
{"Compound":"4,4-dimethyloxazolidine","CAS":"51200-87-4","CAS.Checksum":true,"DTXSID":"DTXSID0032314","Formula":"C5H11NO","All.Compound.Names":"4,4-dimethyloxazolidine|4,4-dimethyl oxazolidine|Dtxsid0032314|51200-87-4","logHenry":-6.143,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7579,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.526,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6181,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.12,"MP.Reference":"EPA-CCD-OPERA","MW":101.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51200-87-4"}
{"Compound":"Chloroallyl methenamine chloride","CAS":"51229-78-8","CAS.Checksum":true,"DTXSID":"DTXSID0035748","Formula":"C9H16Cl2N4","All.Compound.Names":"Chloroallyl methenamine chloride|Dtxsid0035748|51229-78-8","logHenry":-5.481,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5826,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.529,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2425,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.4,"MP.Reference":"EPA-CCD-OPERA","MW":251.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51229-78-8"}
{"Compound":"1,1-methylenebis(4-isocyanatocyclohexane)","CAS":"5124-30-1","CAS.Checksum":true,"DTXSID":"DTXSID3027588","Formula":"C15H22N2O2","All.Compound.Names":"1,1-methylenebis(4-isocyanatocyclohexane)|Dtxsid3027588|5124-30-1","logHenry":-6.164,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.334,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.558,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.125,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.76,"MP.Reference":"EPA-CCD-OPERA","MW":262.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5124-30-1"}
{"Compound":"Methyl 5-chloro-2-nitrobenzoate","CAS":"51282-49-6","CAS.Checksum":true,"DTXSID":"DTXSID5044948","Formula":"C8H6ClNO4","All.Compound.Names":"Methyl 5-chloro-2-nitrobenzoate|Dtxsid5044948|51282-49-6","logHenry":-7.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.181,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.783,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.397,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.61,"MP.Reference":"EPA-CCD-OPERA","MW":215.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51282-49-6"}
{"Compound":"2,2-dimethylvinyl chloride","CAS":"513-37-1","CAS.Checksum":true,"DTXSID":"DTXSID5020520","Formula":"C4H7Cl","All.Compound.Names":"2,2-dimethylvinyl chloride|Dtxsid5020520","logHenry":-3.499,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.021,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7793,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.956,"logWSol.Reference":"EPA-CCD-OPERA","MP":-63.44,"MP.Reference":"EPA-CCD-OPERA","MW":90.55,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"513-37-1"}
{"Compound":"2-butanethiol","CAS":"513-53-1","CAS.Checksum":true,"DTXSID":"DTXSID1041396","Formula":"C4H10S","All.Compound.Names":"2-butanethiol|Dtxsid1041396|513-53-1","logHenry":-2.321,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.905,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7576,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.838,"logWSol.Reference":"EPA-CCD-OPERA","MP":-163.1,"MP.Reference":"EPA-CCD-OPERA","MW":90.18,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"513-53-1"}
{"Compound":"2,3-butanediol","CAS":"513-85-9","CAS.Checksum":true,"DTXSID":"DTXSID8041321","Formula":"C4H10O2","All.Compound.Names":"2,3-butanediol|Dtxsid8041321|513-85-9","logHenry":-7.124,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.916,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.819,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.045,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.45,"MP.Reference":"EPA-CCD-OPERA","MW":90.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"513-85-9"}
{"Compound":"Acetoin","CAS":"513-86-0","CAS.Checksum":true,"DTXSID":"DTXSID0024399","Formula":"C4H8O2","All.Compound.Names":"Acetoin|Dtxsid0024399|513-86-0","logHenry":-6.587,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1582,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.242,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.054,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.83,"MP.Reference":"EPA-CCD-OPERA","MW":88.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"513-86-0"}
{"Compound":"1,1-dichloropropanone","CAS":"513-88-2","CAS.Checksum":true,"DTXSID":"DTXSID7021576","Formula":"C3H4Cl2O","All.Compound.Names":"1,1-dichloropropanone|Dtxsid7021576","logHenry":-4.827,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.061,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.627,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3787,"logWSol.Reference":"EPA-CCD-OPERA","MP":-12.15,"MP.Reference":"EPA-CCD-OPERA","MW":127,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"513-88-2"}
{"Compound":"Tetraiodoethene","CAS":"513-92-8","CAS.Checksum":true,"DTXSID":"DTXSID4042462","Formula":"C2I4","All.Compound.Names":"Tetraiodoethene|Dtxsid4042462","logHenry":-3.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.619,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.893,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.021,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.8,"MP.Reference":"EPA-CCD-OPERA","MW":531.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"513-92-8"}
{"Compound":"4-nitro-1,3-benzenediamine","CAS":"5131-58-8","CAS.Checksum":true,"DTXSID":"DTXSID1025770","Formula":"C6H7N3O2","All.Compound.Names":"4-nitro-1,3-benzenediamine|Dtxsid1025770|5131-58-8","logHenry":-8.243,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7804,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.059,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.309,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.5,"MP.Reference":"EPA-CCD-OPERA","MW":153.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5131-58-8"}
{"Compound":"4-chloro-1,3-diaminobenzene","CAS":"5131-60-2","CAS.Checksum":true,"DTXSID":"DTXSID0020282","Formula":"C6H7ClN2","All.Compound.Names":"4-chloro-1,3-diaminobenzene|Dtxsid0020282|5131-60-2","logHenry":-6.619,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8523,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.991,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.329,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.07,"MP.Reference":"EPA-CCD-OPERA","MW":142.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5131-60-2"}
{"Compound":"1-butoxy-2-propanol","CAS":"5131-66-8","CAS.Checksum":true,"DTXSID":"DTXSID8027589","Formula":"C7H16O2","All.Compound.Names":"1-butoxy-2-propanol|Dtxsid8027589|5131-66-8","logHenry":-5.809,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.016,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.985,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.03888,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.24,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5131-66-8"}
{"Compound":"Methyltrioctylammonium chloride","CAS":"5137-55-3","CAS.Checksum":true,"DTXSID":"DTXSID1044487","Formula":"C25H54ClN","All.Compound.Names":"Methyltrioctylammonium chloride|Dtxsid1044487|5137-55-3","logHenry":-6.069,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.281,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.843,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.768,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.4,"MP.Reference":"EPA-CCD-OPERA","MW":404.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5137-55-3"}
{"Compound":"Sulfosuccinic acid","CAS":"5138-18-1","CAS.Checksum":true,"DTXSID":"DTXSID8042426","Formula":"C4H6O7S","All.Compound.Names":"Sulfosuccinic acid|Dtxsid8042426|5138-18-1","logHenry":-9.141,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1479,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.039,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.8,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5138-18-1"}
{"Compound":"Dithiazanine iodide","CAS":"514-73-8","CAS.Checksum":true,"DTXSID":"DTXSID8022955","Formula":"C23H23IN2S2","All.Compound.Names":"Dithiazanine iodide|Dtxsid8022955|514-73-8","logHenry":-7.199,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.844,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.838,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.5,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.4,"MP.Reference":"EPA-CCD-OPERA","MW":518.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"514-73-8"}
{"Compound":"Canthaxanthin","CAS":"514-78-3","CAS.Checksum":true,"DTXSID":"DTXSID0022727","Formula":"C40H52O2","All.Compound.Names":"Canthaxanthin|Dtxsid0022727","logHenry":-5.869,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.729,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.946,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.091,"logWSol.Reference":"EPA-CCD-OPERA","MP":175,"MP.Reference":"EPA-CCD-OPERA","MW":564.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"514-78-3"}
{"Compound":"Pirenoxine sodium","CAS":"51410-30-1","CAS.Checksum":true,"DTXSID":"DTXSID1046637","Formula":"C16H7N2NaO5","All.Compound.Names":"Pirenoxine sodium|Dtxsid1046637|51410-30-1","logHenry":-10.6,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7354,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.8,"MP.Reference":"EPA-CCD-OPERA","MW":330.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.32","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51410-30-1"}
{"Compound":"N,n,n-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium chloride","CAS":"51410-72-1","CAS.Checksum":true,"DTXSID":"DTXSID2044682","Formula":"C10H21ClN2O","All.Compound.Names":"N,n,n-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium chloride|Dtxsid2044682|51410-72-1","logHenry":-6.913,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.004,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.753,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1781,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.2,"MP.Reference":"EPA-CCD-OPERA","MW":220.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51410-72-1"}
{"Compound":"Alrestatin","CAS":"51411-04-2","CAS.Checksum":true,"DTXSID":"DTXSID7045655","Formula":"C14H9NO4","All.Compound.Names":"Alrestatin|Dtxsid7045655|51411-04-2","logHenry":-8.521,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.569,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.225,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.717,"logWSol.Reference":"EPA-CCD-OPERA","MP":173,"MP.Reference":"EPA-CCD-OPERA","MW":255.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51411-04-2"}
{"Compound":"2,6-octadienenitrile, 3,7-dimethyl-","CAS":"5146-66-7","CAS.Checksum":true,"DTXSID":"DTXSID3036286","Formula":"C10H15N","All.Compound.Names":"2,6-octadienenitrile, 3,7-dimethyl-|Citralva|Dtxsid3036286","logHenry":-4.816,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.045,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.025,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.491,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.5,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5146-66-7"}
{"Compound":"N-hydroxymethylsuccinimide","CAS":"5146-68-9","CAS.Checksum":true,"DTXSID":"DTXSID9046657","Formula":"C5H7NO3","All.Compound.Names":"N-hydroxymethylsuccinimide|Dtxsid9046657|5146-68-9","logHenry":-7.865,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5965,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.354,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4648,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.9,"MP.Reference":"EPA-CCD-OPERA","MW":129.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5146-68-9"}
{"Compound":"Carbazochrome sodium sulfonate","CAS":"51460-26-5","CAS.Checksum":true,"DTXSID":"DTXSID9022732","Formula":"C10H11N4NaO5S","All.Compound.Names":"Carbazochrome sodium sulfonate|Dtxsid9022732|51460-26-5","logHenry":-10.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7064,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.906,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.171,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.9,"MP.Reference":"EPA-CCD-OPERA","MW":322.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.54","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51460-26-5"}
{"Compound":"Sclareol","CAS":"515-03-7","CAS.Checksum":true,"DTXSID":"DTXSID0047111","Formula":"C20H36O2","All.Compound.Names":"Sclareol|Dtxsid0047111|515-03-7","logHenry":-9.466,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.644,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.456,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.99,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.03,"MP.Reference":"EPA-CCD-OPERA","MW":308.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"515-03-7"}
{"Compound":"(1-chloro-2-methylpropan-2-yl)benzene","CAS":"515-40-2","CAS.Checksum":true,"DTXSID":"DTXSID8027167","Formula":"C10H13Cl","All.Compound.Names":"(1-chloro-2-methylpropan-2-yl)benzene|Neophyl chloride|Dtxsid8027167","logHenry":-3.156,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.322,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.74,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.604,"logWSol.Reference":"EPA-CCD-OPERA","MP":-27.03,"MP.Reference":"EPA-CCD-OPERA","MW":168.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"515-40-2"}
{"Compound":"Sulfathiourea","CAS":"515-49-1","CAS.Checksum":true,"DTXSID":"DTXSID4046868","Formula":"C7H9N3O2S2","All.Compound.Names":"Sulfathiourea|Dtxsid4046868|515-49-1","logHenry":-10.42,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.287,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.612,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.803,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.1,"MP.Reference":"EPA-CCD-OPERA","MW":231.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"515-49-1"}
{"Compound":"Maleylsulfathiazole","CAS":"515-57-1","CAS.Checksum":true,"DTXSID":"DTXSID3046116","Formula":"C13H11N3O5S2","All.Compound.Names":"Maleylsulfathiazole|Dtxsid3046116|515-57-1","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.102,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.238,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.321,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.9,"MP.Reference":"EPA-CCD-OPERA","MW":353.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"515-57-1"}
{"Compound":"Sulfisomidine","CAS":"515-64-0","CAS.Checksum":true,"DTXSID":"DTXSID1046390","Formula":"C12H14N4O2S","All.Compound.Names":"Sulfisomidine|Dtxsid1046390|515-64-0","logHenry":-9.794,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3245,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.569,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.242,"logWSol.Reference":"EPA-CCD-OPERA","MP":242.9,"MP.Reference":"EPA-CCD-OPERA","MW":278.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"515-64-0"}
{"Compound":"Bisabolol","CAS":"515-69-5","CAS.Checksum":true,"DTXSID":"DTXSID5045964","Formula":"C15H26O","All.Compound.Names":"Bisabolol|Dtxsid5045964|515-69-5","logHenry":-6.006,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.721,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.206,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.729,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.39,"MP.Reference":"EPA-CCD-OPERA","MW":222.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"515-69-5"}
{"Compound":"Sodium 4-aminobenzenesulfonate","CAS":"515-74-2","CAS.Checksum":true,"DTXSID":"DTXSID5029184","Formula":"C6H6NNaO3S","All.Compound.Names":"Sodium 4-aminobenzenesulfonate|Sodium sulfanilate|Dtxsid5029184|515-74-2","logHenry":-10.41,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.19,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.12,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.204,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.7,"MP.Reference":"EPA-CCD-OPERA","MW":195.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"515-74-2"}
{"Compound":"(e)-beta-nitrostyrene","CAS":"5153-67-3","CAS.Checksum":true,"DTXSID":"DTXSID6033247","Formula":"C8H7NO2","All.Compound.Names":"(e)-beta-nitrostyrene|Dtxsid6033247","logHenry":-5.102,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.111,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.328,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.373,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.068,"MP.Reference":"EPA-CCD-OPERA","MW":149.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5153-67-3"}
{"Compound":"N-(1-benzyl-4-piperidyl)-n-phenylpropanamide hydrochloride","CAS":"5156-58-1","CAS.Checksum":true,"DTXSID":"DTXSID4048933","Formula":"C21H27ClN2O","All.Compound.Names":"N-(1-benzyl-4-piperidyl)-n-phenylpropanamide hydrochloride|Benzyl fentanyl hydrochloride|Dtxsid4048933|5156-58-1","logHenry":-7.738,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.868,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.865,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.856,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.5,"MP.Reference":"EPA-CCD-OPERA","MW":358.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5156-58-1"}
{"Compound":"Sodium dichloro-s-triazinetrione dihydrate","CAS":"51580-86-0","CAS.Checksum":true,"DTXSID":"DTXSID0029761","Formula":"C3H4Cl2N3NaO5","All.Compound.Names":"Sodium dichloro-s-triazinetrione dihydrate|Sodium dichloroisocyanurate dihydrate|Dtxsid0029761|51580-86-0","logHenry":-8.425,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3674,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.428,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2846,"logWSol.Reference":"EPA-CCD-OPERA","MP":240.6,"MP.Reference":"EPA-CCD-OPERA","MW":256,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51580-86-0"}
{"Compound":"(3alpha,5beta)-cholestan-3-ol","CAS":"516-92-7","CAS.Checksum":true,"DTXSID":"DTXSID7046700","Formula":"C27H48O","All.Compound.Names":"(3alpha,5beta)-cholestan-3-ol|Dtxsid7046700|516-92-7","logHenry":-6.784,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.762,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.67,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.211,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.1,"MP.Reference":"EPA-CCD-OPERA","MW":388.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"516-92-7"}
{"Compound":"1-(bromomethyl)-3-phenoxybenzene","CAS":"51632-16-7","CAS.Checksum":true,"DTXSID":"DTXSID6028022","Formula":"C13H11BrO","All.Compound.Names":"1-(bromomethyl)-3-phenoxybenzene|Dtxsid6028022","logHenry":-4.028,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.628,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.178,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.187,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.53,"MP.Reference":"EPA-CCD-OPERA","MW":263.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51632-16-7"}
{"Compound":"1-ethyl-3-methylimidazolium methyl sulfate","CAS":"516474-01-4","CAS.Checksum":true,"DTXSID":"DTXSID5049310","Formula":"C7H14N2O4S","All.Compound.Names":"1-ethyl-3-methylimidazolium methyl sulfate|Dtxsid5049310|516474-01-4","logHenry":-2.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5848,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.561,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01646,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.1,"MP.Reference":"EPA-CCD-OPERA","MW":222.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"516474-01-4"}
{"Compound":"2-acrylamido-2-methylpropanesulphonate sodium salt","CAS":"5165-97-9","CAS.Checksum":true,"DTXSID":"DTXSID2027591","Formula":"C7H12NNaO4S","All.Compound.Names":"2-acrylamido-2-methylpropanesulphonate sodium salt|Dtxsid2027591|5165-97-9","logHenry":-8.873,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.955,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.916,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5073,"logWSol.Reference":"EPA-CCD-OPERA","MP":236.3,"MP.Reference":"EPA-CCD-OPERA","MW":229.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5165-97-9"}
{"Compound":"Tipepidine","CAS":"5169-78-8","CAS.Checksum":true,"DTXSID":"DTXSID2022626","Formula":"C15H17NS2","All.Compound.Names":"Tipepidine|Dtxsid2022626|5169-78-8","logHenry":-4.868,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.1,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.315,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.469,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.4,"MP.Reference":"EPA-CCD-OPERA","MW":275.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5169-78-8"}
{"Compound":"3-acetyldihydro-2(3h)-furanone","CAS":"517-23-7","CAS.Checksum":true,"DTXSID":"DTXSID6044436","Formula":"C6H8O3","All.Compound.Names":"3-acetyldihydro-2(3h)-furanone|Dtxsid6044436","logHenry":-6.224,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.09186,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.682,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1898,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.36,"MP.Reference":"EPA-CCD-OPERA","MW":128.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"517-23-7"}
{"Compound":"Hematoxylin","CAS":"517-28-2","CAS.Checksum":true,"DTXSID":"DTXSID8020678","Formula":"C16H14O6","All.Compound.Names":"Hematoxylin|Dtxsid8020678|517-28-2","logHenry":-9.86,"logHenry.Reference":"OPERA29","logP":0.3,"logP.Reference":"OPERA29","logWSol":-3.67,"logWSol.Reference":"OPERA29","MP":140,"MP.Reference":"OPERA29","MW":302.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"517-28-2"}
{"Compound":"2-acetoxy-5-nitrobenzyl chloride","CAS":"5174-32-3","CAS.Checksum":true,"DTXSID":"DTXSID3047423","Formula":"C9H8ClNO4","All.Compound.Names":"2-acetoxy-5-nitrobenzyl chloride|Dtxsid3047423|5174-32-3","logHenry":-7.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.604,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.634,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.51,"MP.Reference":"EPA-CCD-OPERA","MW":229.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5174-32-3"}
{"Compound":"Mefloquine hydrochloride","CAS":"51773-92-3","CAS.Checksum":true,"DTXSID":"DTXSID1047819","Formula":"C17H17ClF6N2O","All.Compound.Names":"Mefloquine hydrochloride|Dtxsid1047819|51773-92-3","logHenry":-9.666,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9317,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.054,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.757,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.8,"MP.Reference":"EPA-CCD-OPERA","MW":414.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51773-92-3"}
{"Compound":"Carteolol hydrochloride","CAS":"51781-21-6","CAS.Checksum":true,"DTXSID":"DTXSID4045478","Formula":"C16H25ClN2O3","All.Compound.Names":"Carteolol hydrochloride|Dtxsid4045478|51781-21-6","logHenry":-9.353,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4178,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.679,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.983,"logWSol.Reference":"EPA-CCD-OPERA","MP":171,"MP.Reference":"EPA-CCD-OPERA","MW":328.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51781-21-6"}
{"Compound":"Podofilox","CAS":"518-28-5","CAS.Checksum":true,"DTXSID":"DTXSID3045645","Formula":"C22H22O8","All.Compound.Names":"Podofilox|Dtxsid3045645|518-28-5","logHenry":-10.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.009,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.282,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.619,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.5,"MP.Reference":"EPA-CCD-OPERA","MW":414.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"518-28-5"}
{"Compound":"Fluorescein sodium","CAS":"518-47-8","CAS.Checksum":true,"DTXSID":"DTXSID9025328","Formula":"C20H10Na2O5","All.Compound.Names":"Fluorescein sodium","logHenry":-5.688,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.17,"logP.Reference":"OPERA29","logWSol":-3.28,"logWSol.Reference":"OPERA29","MP":202,"MP.Reference":"EPA-CCD-OPERA","MW":376.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"518-47-8"}
{"Compound":"Emodin","CAS":"518-82-1","CAS.Checksum":true,"DTXSID":"DTXSID5025231","Formula":"C15H10O5","All.Compound.Names":"Emodin|Dtxsid5025231|518-82-1","logHenry":-9.752,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.59,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.657,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.697,"logWSol.Reference":"EPA-CCD-OPERA","MP":257,"MP.Reference":"EPA-CCD-OPERA","MW":270.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"518-82-1"}
{"Compound":"Nimesulide","CAS":"51803-78-2","CAS.Checksum":true,"DTXSID":"DTXSID3037250","Formula":"C13H12N2O5S","All.Compound.Names":"Nimesulide|Dtxsid3037250|51803-78-2","logHenry":-8.346,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.6,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.292,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.06,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.9,"MP.Reference":"EPA-CCD-OPERA","MW":308.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"38.4,17,86.4","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"51803-78-2"}
{"Compound":"Raltegravir","CAS":"518048-05-0","CAS.Checksum":true,"DTXSID":"DTXSID2048660","Formula":"C20H21FN6O5","All.Compound.Names":"Raltegravir|518048-05-0|Dtxsid2048660","logHenry":-10.94,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4514,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.197,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.626,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.1,"MP.Reference":"EPA-CCD-OPERA","MW":444.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.318,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"518048-05-0"}
{"Compound":"(5-ethyl-1,3-dioxan-5-yl)methanol","CAS":"5187-23-5","CAS.Checksum":true,"DTXSID":"DTXSID0044949","Formula":"C7H14O3","All.Compound.Names":"(5-ethyl-1,3-dioxan-5-yl)methanol|Dtxsid0044949|5187-23-5","logHenry":-6.31,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1103,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.015,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7076,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.22,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5187-23-5"}
{"Compound":"Benzoylecgonine","CAS":"519-09-5","CAS.Checksum":true,"DTXSID":"DTXSID7046758","Formula":"C16H19NO4","All.Compound.Names":"Benzoylecgonine|Dtxsid7046758|519-09-5","logHenry":-8.1,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.613,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.041,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.139,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.2,"MP.Reference":"EPA-CCD-OPERA","MW":289.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"519-09-5"}
{"Compound":"Etofylline","CAS":"519-37-9","CAS.Checksum":true,"DTXSID":"DTXSID5023031","Formula":"C9H12N4O3","All.Compound.Names":"Etofylline|519-37-9|Dtxsid5023031","logHenry":-9.631,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6159,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.69,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.07995,"logWSol.Reference":"EPA-CCD-OPERA","MP":158,"MP.Reference":"EPA-CCD-OPERA","MW":224.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.8,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"519-37-9"}
{"Compound":"Ambucetamide","CAS":"519-88-0","CAS.Checksum":true,"DTXSID":"DTXSID4057760","Formula":"C17H28N2O2","All.Compound.Names":"Ambucetamide|Dtxsid4057760|519-88-0","logHenry":-9.374,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.422,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.588,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.975,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.9,"MP.Reference":"EPA-CCD-OPERA","MW":292.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"519-88-0"}
{"Compound":"Benzoicacid,4-iodo-,ethylester","CAS":"51934-41-9","CAS.Checksum":true,"DTXSID":"DTXSID0049311","Formula":"C9H9IO2","All.Compound.Names":"Benzoicacid,4-iodo-,ethylester|Ethyl 4-iodobenzoate|Dtxsid0049311","logHenry":-6.741,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.304,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.393,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.077,"logWSol.Reference":"EPA-CCD-OPERA","MP":66.27,"MP.Reference":"EPA-CCD-OPERA","MW":276.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51934-41-9"}
{"Compound":"Gonadorelin hydrochloride","CAS":"51952-41-1","CAS.Checksum":true,"DTXSID":"DTXSID7048954","All.Compound.Names":"Gonadorelin hydrochloride","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51952-41-1"}
{"Compound":"Spironolactone","CAS":"52-01-7","CAS.Checksum":true,"DTXSID":"DTXSID6034186","Formula":"C24H32O4S","All.Compound.Names":"Spironolactone|52-01-7|Dtxsid6034186","logHenry":-7.949,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.781,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.902,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.253,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.5,"MP.Reference":"EPA-CCD-OPERA","MW":416.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.25,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"52-01-7"}
{"Compound":"Prednisolone acetate","CAS":"52-21-1","CAS.Checksum":true,"DTXSID":"DTXSID3023502","Formula":"C23H30O6","All.Compound.Names":"Prednisolone acetate|Dtxsid3023502|52-21-1","logHenry":-10.24,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.397,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.095,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.371,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.4,"MP.Reference":"EPA-CCD-OPERA","MW":402.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52-21-1"}
{"Compound":"Trihexyphenidyl hydrochloride","CAS":"52-49-3","CAS.Checksum":true,"DTXSID":"DTXSID8045802","Formula":"C20H32ClNO","All.Compound.Names":"Trihexyphenidyl hydrochloride|Dtxsid8045802|52-49-3","logHenry":-6.622,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.673,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.41,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.196,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.1,"MP.Reference":"EPA-CCD-OPERA","MW":337.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52-49-3"}
{"Compound":"Bronopol","CAS":"52-51-7","CAS.Checksum":true,"DTXSID":"DTXSID8024652","Formula":"C3H6BrNO4","All.Compound.Names":"Bronopol|Dtxsid8024652|52-51-7","logHenry":-6.569,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4138,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.999,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.09836,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.5,"MP.Reference":"EPA-CCD-OPERA","MW":200,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52-51-7"}
{"Compound":"Pentolinium ditartrate","CAS":"52-62-0","CAS.Checksum":true,"DTXSID":"DTXSID5045542","Formula":"C23H42N2O12","All.Compound.Names":"Pentolinium ditartrate|Dtxsid5045542|52-62-0","logHenry":-2.859,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7883,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.471,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.043,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.1,"MP.Reference":"EPA-CCD-OPERA","MW":538.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52-62-0"}
{"Compound":"Lynestrenol","CAS":"52-76-6","CAS.Checksum":true,"DTXSID":"DTXSID4021478","Formula":"C20H28O","All.Compound.Names":"Lynestrenol|52-76-6|Dtxsid4021478","logHenry":-7.015,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.601,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.016,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.159,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.9,"MP.Reference":"EPA-CCD-OPERA","MW":284.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.3,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"52-76-6"}
{"Compound":"Famphur","CAS":"52-85-7","CAS.Checksum":true,"DTXSID":"DTXSID7041966","Formula":"C10H16NO5PS2","All.Compound.Names":"Famphur|Dtxsid7041966|52-85-7","logHenry":-6.432,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.23,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.447,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.509,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.97,"MP.Reference":"EPA-CCD-OPERA","MW":325.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52-85-7"}
{"Compound":"Methylatropine nitrate","CAS":"52-88-0","CAS.Checksum":true,"DTXSID":"DTXSID0045543","Formula":"C18H26N2O6","All.Compound.Names":"Methylatropine nitrate|Dtxsid0045543|52-88-0","logHenry":-9.166,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.135,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.476,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.92,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.7,"MP.Reference":"EPA-CCD-OPERA","MW":366.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52-88-0"}
{"Compound":"L-cysteine hydrochloride","CAS":"52-89-1","CAS.Checksum":true,"DTXSID":"DTXSID0020367","Formula":"C3H8ClNO2S","All.Compound.Names":"L-cysteine hydrochloride|Dtxsid0020367|52-89-1","logHenry":-8.616,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.374,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.543,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.359,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.4,"MP.Reference":"EPA-CCD-OPERA","MW":157.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.72","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52-89-1"}
{"Compound":"Hesperidin","CAS":"520-26-3","CAS.Checksum":true,"DTXSID":"DTXSID9044328","Formula":"C28H34O15","All.Compound.Names":"Hesperidin|Dtxsid9044328|520-26-3","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.06198,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.641,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.791,"logWSol.Reference":"EPA-CCD-OPERA","MP":262,"MP.Reference":"EPA-CCD-OPERA","MW":610.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"520-26-3"}
{"Compound":"Diosmin","CAS":"520-27-4","CAS.Checksum":true,"DTXSID":"DTXSID4045892","Formula":"C28H32O15","All.Compound.Names":"Diosmin|Dtxsid4045892|520-27-4","logHenry":-10.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1407,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.439,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.435,"logWSol.Reference":"EPA-CCD-OPERA","MP":253.9,"MP.Reference":"EPA-CCD-OPERA","MW":608.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"520-27-4"}
{"Compound":"Dehydroacetic acid","CAS":"520-45-6","CAS.Checksum":true,"DTXSID":"DTXSID6020014","Formula":"C8H8O4","All.Compound.Names":"Dehydroacetic acid|Dtxsid6020014","logHenry":-5.696,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9551,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.16,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.389,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.1,"MP.Reference":"EPA-CCD-OPERA","MW":168.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"520-45-6"}
{"Compound":"Psilocybin","CAS":"520-52-5","CAS.Checksum":true,"DTXSID":"DTXSID0048898","Formula":"C12H17N2O4P","All.Compound.Names":"Psilocybin|Dtxsid0048898|520-52-5","logHenry":-11,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4804,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.754,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.839,"logWSol.Reference":"EPA-CCD-OPERA","MP":224,"MP.Reference":"EPA-CCD-OPERA","MW":284.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"520-52-5"}
{"Compound":"Psilocin","CAS":"520-53-6","CAS.Checksum":true,"DTXSID":"DTXSID5048899","Formula":"C12H16N2O","All.Compound.Names":"Psilocin|Dtxsid5048899|520-53-6","logHenry":-9.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.269,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.836,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9855,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.4,"MP.Reference":"EPA-CCD-OPERA","MW":204.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"520-53-6"}
{"Compound":"Medroxyprogesterone","CAS":"520-85-4","CAS.Checksum":true,"DTXSID":"DTXSID0036508","Formula":"C22H32O3","All.Compound.Names":"Medroxyprogesterone|520-85-4|Dtxsid0036508","logHenry":-8.1,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.18,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.476,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.656,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.2,"MP.Reference":"EPA-CCD-OPERA","MW":344.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.15,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"520-85-4"}
{"Compound":"3-methyl-2-butenyl benzoate","CAS":"5205-11-8","CAS.Checksum":true,"DTXSID":"DTXSID8047131","Formula":"C12H14O2","All.Compound.Names":"3-methyl-2-butenyl benzoate|Dtxsid8047131","logHenry":-4.498,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.244,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.864,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.948,"logWSol.Reference":"EPA-CCD-OPERA","MP":-23.21,"MP.Reference":"EPA-CCD-OPERA","MW":190.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5205-11-8"}
{"Compound":"Bevonium metilsulfate","CAS":"5205-82-3","CAS.Checksum":true,"DTXSID":"DTXSID3046615","Formula":"C23H31NO7S","All.Compound.Names":"Bevonium metilsulfate|Dtxsid3046615|5205-82-3","logHenry":-8.109,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4407,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.45,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.291,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.2,"MP.Reference":"EPA-CCD-OPERA","MW":465.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5205-82-3"}
{"Compound":"N-[3-(dimethylamino)propyl]methacrylamide","CAS":"5205-93-6","CAS.Checksum":true,"DTXSID":"DTXSID7040154","Formula":"C9H18N2O","All.Compound.Names":"N-[3-(dimethylamino)propyl]methacrylamide|N-(3-dimethylaminopropyl)methacrylamide|Dtxsid7040154|5205-93-6","logHenry":-8.451,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2728,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.044,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1906,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.81,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5205-93-6"}
{"Compound":"Mestanolone","CAS":"521-11-9","CAS.Checksum":true,"DTXSID":"DTXSID0048973","Formula":"C20H32O2","All.Compound.Names":"Mestanolone|Dtxsid0048973|521-11-9","logHenry":-9.05,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.815,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.463,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.891,"logWSol.Reference":"EPA-CCD-OPERA","MP":192,"MP.Reference":"EPA-CCD-OPERA","MW":304.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"521-11-9"}
{"Compound":"Androstenediol","CAS":"521-17-5","CAS.Checksum":true,"DTXSID":"DTXSID9022609","Formula":"C19H30O2","All.Compound.Names":"Androstenediol|Dtxsid9022609|521-17-5","logHenry":-7.809,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.55,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.606,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.061,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.4,"MP.Reference":"EPA-CCD-OPERA","MW":290.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"521-17-5"}
{"Compound":"Luminol","CAS":"521-31-3","CAS.Checksum":true,"DTXSID":"DTXSID5024504","Formula":"C8H7N3O2","All.Compound.Names":"Luminol|Dtxsid5024504|521-31-3","logHenry":-7.995,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.793,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.533,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9653,"logWSol.Reference":"EPA-CCD-OPERA","MP":330.4,"MP.Reference":"EPA-CCD-OPERA","MW":177.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"521-31-3"}
{"Compound":"Cannabinol","CAS":"521-35-7","CAS.Checksum":true,"DTXSID":"DTXSID3048996","Formula":"C21H26O2","All.Compound.Names":"Cannabinol|Dtxsid3048996|521-35-7","logHenry":-6.725,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.547,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.077,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.133,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.25,"MP.Reference":"EPA-CCD-OPERA","MW":310.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"521-35-7"}
{"Compound":"Broxyquinoline","CAS":"521-74-4","CAS.Checksum":true,"DTXSID":"DTXSID9045849","Formula":"C9H5Br2NO","All.Compound.Names":"Broxyquinoline|Dtxsid9045849|521-74-4","logHenry":-7.176,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.438,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.012,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.193,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.8,"MP.Reference":"EPA-CCD-OPERA","MW":303,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.7","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"521-74-4"}
{"Compound":"Trimipramine maleate","CAS":"521-78-8","CAS.Checksum":true,"DTXSID":"DTXSID2045315","Formula":"C24H30N2O4","All.Compound.Names":"Trimipramine maleate|Trimipramine hydrogen maleate|Dtxsid2045315|521-78-8","logHenry":-5.308,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6716,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.152,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.755,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.5,"MP.Reference":"EPA-CCD-OPERA","MW":410.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"521-78-8"}
{"Compound":"Sodium 5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1h-pyrazole-3-carboxylate","CAS":"52126-51-9","CAS.Checksum":true,"DTXSID":"DTXSID2044684","Formula":"C10H7N2NaO6S","All.Compound.Names":"Sodium 5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1h-pyrazole-3-carboxylate|Dtxsid2044684|52126-51-9","logHenry":-11.1,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.955,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.98,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.734,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.9,"MP.Reference":"EPA-CCD-OPERA","MW":306.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52126-51-9"}
{"Compound":"Cefsulodin sodium","CAS":"52152-93-9","CAS.Checksum":true,"DTXSID":"DTXSID6045585","Formula":"C22H21N4NaO9S2","All.Compound.Names":"Cefsulodin sodium|Cefsulodin sodium salt hydrate|Dtxsid6045585|52152-93-9","logHenry":-10.94,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7608,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.27,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.38,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.5,"MP.Reference":"EPA-CCD-OPERA","MW":572.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52152-93-9"}
{"Compound":"4-chlorobenzotrichloride","CAS":"5216-25-1","CAS.Checksum":true,"DTXSID":"DTXSID2027593","Formula":"C7H4Cl4","All.Compound.Names":"4-chlorobenzotrichloride|Dtxsid2027593","logHenry":-2.824,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.001,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.724,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.67,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.5,"MP.Reference":"EPA-CCD-OPERA","MW":229.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5216-25-1"}
{"Compound":"2-chloro-1,4-diethoxybenzene","CAS":"52196-74-4","CAS.Checksum":true,"DTXSID":"DTXSID7044685","Formula":"C10H13ClO2","All.Compound.Names":"2-chloro-1,4-diethoxybenzene|Dtxsid7044685","logHenry":-4.015,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.948,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.016,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.725,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.58,"MP.Reference":"EPA-CCD-OPERA","MW":200.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52196-74-4"}
{"Compound":"Diethylstilbestrol diphosphate","CAS":"522-40-7","CAS.Checksum":true,"DTXSID":"DTXSID3046906","Formula":"C18H22O8P2","All.Compound.Names":"Diethylstilbestrol diphosphate|Dtxsid3046906|522-40-7","logHenry":-9.665,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.733,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.725,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.237,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.1,"MP.Reference":"EPA-CCD-OPERA","MW":428.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"522-40-7"}
{"Compound":"Tetrahydrozoline hydrochloride","CAS":"522-48-5","CAS.Checksum":true,"DTXSID":"DTXSID7045316","Formula":"C13H17ClN2","All.Compound.Names":"Tetrahydrozoline hydrochloride|Dtxsid7045316|522-48-5","logHenry":-7.667,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3875,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.605,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.818,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.2,"MP.Reference":"EPA-CCD-OPERA","MW":236.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"522-48-5"}
{"Compound":"Dequalinium dichloride","CAS":"522-51-0","CAS.Checksum":true,"DTXSID":"DTXSID3045144","Formula":"C30H40Cl2N4","All.Compound.Names":"Dequalinium dichloride|Dtxsid3045144|522-51-0","logHenry":-7.284,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.053,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.657,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.077,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.7,"MP.Reference":"EPA-CCD-OPERA","MW":527.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"522-51-0"}
{"Compound":"Canadine","CAS":"522-97-4","CAS.Checksum":true,"DTXSID":"DTXSID5022724","Formula":"C20H21NO4","All.Compound.Names":"Canadine|Dtxsid5022724|522-97-4","logHenry":-5.199,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.677,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.283,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.432,"logWSol.Reference":"EPA-CCD-OPERA","MP":204,"MP.Reference":"EPA-CCD-OPERA","MW":339.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"522-97-4"}
{"Compound":"Estramustine phosphate sodium","CAS":"52205-73-9","CAS.Checksum":true,"DTXSID":"DTXSID2048953","Formula":"C23H30Cl2NNa2O6P","All.Compound.Names":"Estramustine phosphate sodium|Dtxsid2048953|52205-73-9","logHenry":-7.693,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.959,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.727,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.727,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.4,"MP.Reference":"EPA-CCD-OPERA","MW":564.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52205-73-9"}
{"Compound":"Pipecuronium bromide","CAS":"52212-02-9","CAS.Checksum":true,"DTXSID":"DTXSID8023478","Formula":"C35H62Br2N4O4","All.Compound.Names":"Pipecuronium bromide|Dtxsid8023478|52212-02-9","logHenry":-6.593,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7492,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.93,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.367,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.8,"MP.Reference":"EPA-CCD-OPERA","MW":762.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52212-02-9"}
{"Compound":"Ciprofibrate","CAS":"52214-84-3","CAS.Checksum":true,"DTXSID":"DTXSID8020331","Formula":"C13H14Cl2O3","All.Compound.Names":"Ciprofibrate|52214-84-3|Dtxsid8020331","logHenry":-9.585,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.69,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.123,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.77,"logWSol.Reference":"EPA-CCD-OPERA","MP":115,"MP.Reference":"EPA-CCD-OPERA","MW":289.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"52214-84-3"}
{"Compound":"Dl-alpha-tocopheryl acetate","CAS":"52225-20-4","CAS.Checksum":true,"DTXSID":"DTXSID3021356","Formula":"C31H52O3","All.Compound.Names":"Dl-alpha-tocopheryl acetate|Dtxsid3021356","logHenry":-6.228,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.153,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.529,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.233,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.04,"MP.Reference":"EPA-CCD-OPERA","MW":472.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52225-20-4"}
{"Compound":"Thiethylperazine malate","CAS":"52239-63-1","CAS.Checksum":true,"DTXSID":"DTXSID1045586","Formula":"C30H41N3O10S2","All.Compound.Names":"Thiethylperazine malate|Dtxsid1045586|52239-63-1","logHenry":-5.351,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7471,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.94,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.292,"logWSol.Reference":"EPA-CCD-OPERA","MP":161,"MP.Reference":"EPA-CCD-OPERA","MW":667.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52239-63-1"}
{"Compound":"2-amino-4-phenylthiazole hydrobromide hydrate","CAS":"52253-69-7","CAS.Checksum":true,"DTXSID":"DTXSID0024503","Formula":"C9H11BrN2OS","All.Compound.Names":"2-amino-4-phenylthiazole hydrobromide hydrate|Dtxsid0024503|52253-69-7","logHenry":-6.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.026,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.106,"logWSol.Reference":"EPA-CCD-OPERA","MP":177,"MP.Reference":"EPA-CCD-OPERA","MW":275.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.76","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52253-69-7"}
{"Compound":"4-amino-2,5-dimethoxy-n-phenylbenzenesulfonamide","CAS":"52298-44-9","CAS.Checksum":true,"DTXSID":"DTXSID2044686","Formula":"C14H16N2O4S","All.Compound.Names":"4-amino-2,5-dimethoxy-n-phenylbenzenesulfonamide|Dtxsid2044686|52298-44-9","logHenry":-9.815,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.974,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.283,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.538,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.1,"MP.Reference":"EPA-CCD-OPERA","MW":308.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52298-44-9"}
{"Compound":"9,10-dibromoanthracene","CAS":"523-27-3","CAS.Checksum":true,"DTXSID":"DTXSID5049312","Formula":"C14H8Br2","All.Compound.Names":"9,10-dibromoanthracene|Dtxsid5049312","logHenry":-4.159,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.292,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.012,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.304,"logWSol.Reference":"EPA-CCD-OPERA","MP":225.7,"MP.Reference":"EPA-CCD-OPERA","MW":336,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"523-27-3"}
{"Compound":"Dimenhydrinate","CAS":"523-87-5","CAS.Checksum":true,"DTXSID":"DTXSID9025087","Formula":"C24H28ClN5O3","All.Compound.Names":"Dimenhydrinate","MW":470,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"523-87-5"}
{"Compound":"Ethyl 3-(n-butylacetamido)propionate","CAS":"52304-36-6","CAS.Checksum":true,"DTXSID":"DTXSID9035753","Formula":"C11H21NO3","All.Compound.Names":"Ethyl 3-(n-butylacetamido)propionate|Dtxsid9035753|52304-36-6","logHenry":-7.432,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.599,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.655,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5417,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.62,"MP.Reference":"EPA-CCD-OPERA","MW":215.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52304-36-6"}
{"Compound":"Ethyl 2-cyano-3,3-diphenylacrylate","CAS":"5232-99-5","CAS.Checksum":true,"DTXSID":"DTXSID9044821","Formula":"C18H15NO2","All.Compound.Names":"Ethyl 2-cyano-3,3-diphenylacrylate|Ethyl 2-cyano-3,3-diphenyl  acrylate|Ethyl 2-cyano-3,3-diphenyl acrylate|Dtxsid9044821","logHenry":-7.769,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.97,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.195,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.677,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.38,"MP.Reference":"EPA-CCD-OPERA","MW":277.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"161.3","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0.007005,0.004439,0.009571","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"5232-99-5"}
{"Compound":"Pyridoxamine dihydrochloride","CAS":"524-36-7","CAS.Checksum":true,"DTXSID":"DTXSID6045088","Formula":"C8H14Cl2N2O2","All.Compound.Names":"Pyridoxamine dihydrochloride|Dtxsid6045088|524-36-7","logHenry":-7.94,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.1,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4723,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.3,"MP.Reference":"EPA-CCD-OPERA","MW":241.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"524-36-7"}
{"Compound":"9-aminoacridine, monohydrochloride, monohydrate","CAS":"52417-22-8","CAS.Checksum":true,"DTXSID":"DTXSID7024457","Formula":"C13H13ClN2O","All.Compound.Names":"9-aminoacridine, monohydrochloride, monohydrate|9-aminoacridine hydrochloride monohydrate|Dtxsid7024457|52417-22-8","logHenry":-7.069,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8684,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.89,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.605,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.5,"MP.Reference":"EPA-CCD-OPERA","MW":248.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.52","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52417-22-8"}
{"Compound":"Oxeladin citrate","CAS":"52432-72-1","CAS.Checksum":true,"DTXSID":"DTXSID4046608","Formula":"C26H41NO10","All.Compound.Names":"Oxeladin citrate|Dtxsid4046608|52432-72-1","logHenry":-6.21,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8369,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.983,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.231,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.5,"MP.Reference":"EPA-CCD-OPERA","MW":527.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52432-72-1"}
{"Compound":"Flunarizine","CAS":"52468-60-7","CAS.Checksum":true,"DTXSID":"DTXSID6045616","Formula":"C26H26F2N2","All.Compound.Names":"Flunarizine|Dtxsid6045616|52468-60-7","logHenry":-6.591,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.78,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.92,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.673,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.1,"MP.Reference":"EPA-CCD-OPERA","MW":404.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52468-60-7"}
{"Compound":"Quinocide","CAS":"525-61-1","CAS.Checksum":true,"DTXSID":"DTXSID5045706","Formula":"C15H21N3O","All.Compound.Names":"Quinocide|Dtxsid5045706|525-61-1","logHenry":-8.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.232,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.935,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.853,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.7,"MP.Reference":"EPA-CCD-OPERA","MW":259.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.61","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"525-61-1"}
{"Compound":"4h-3,1-benzoxazin-4-one,2-methyl-","CAS":"525-76-8","CAS.Checksum":true,"DTXSID":"DTXSID0049313","Formula":"C9H7NO2","All.Compound.Names":"4h-3,1-benzoxazin-4-one,2-methyl-|2-methyl-4h,3,1-benzoxazin-4-one|Dtxsid0049313|2-methyl-4h-3,1-benzoxazin-4-one|525-76-8","logHenry":-7.815,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.935,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.898,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.116,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.9,"MP.Reference":"EPA-CCD-OPERA","MW":161.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"525-76-8"}
{"Compound":"Kinetin","CAS":"525-79-1","CAS.Checksum":true,"DTXSID":"DTXSID9035175","Formula":"C10H9N5O","All.Compound.Names":"Kinetin|Dtxsid9035175|525-79-1","logHenry":-9.192,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6968,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.153,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.454,"logWSol.Reference":"EPA-CCD-OPERA","MP":266.5,"MP.Reference":"EPA-CCD-OPERA","MW":215.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.19","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"525-79-1"}
{"Compound":"Flavone","CAS":"525-82-6","CAS.Checksum":true,"DTXSID":"DTXSID2022048","Formula":"C15H10O2","All.Compound.Names":"Flavone|Dtxsid2022048","logHenry":-6.518,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.56,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.465,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.444,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.4,"MP.Reference":"EPA-CCD-OPERA","MW":222.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"380,169,857","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"525-82-6"}
{"Compound":"Dikegulac sodium","CAS":"52508-35-7","CAS.Checksum":true,"DTXSID":"DTXSID2034540","Formula":"C12H17NaO7","All.Compound.Names":"Dikegulac sodium|Dtxsid2034540|52508-35-7","logHenry":-8.039,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7933,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.129,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.14,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.1,"MP.Reference":"EPA-CCD-OPERA","MW":296.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52508-35-7"}
{"Compound":"Benzadox","CAS":"5251-93-4","CAS.Checksum":true,"DTXSID":"DTXSID7041625","Formula":"C9H9NO4","All.Compound.Names":"Benzadox|Dtxsid7041625|5251-93-4","logHenry":-7.933,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2663,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.332,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.278,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.2,"MP.Reference":"EPA-CCD-OPERA","MW":195.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5251-93-4"}
{"Compound":"1-propanesulfonic acid, 2-hydroxy-3-(2-propenyloxy)-, monosodium salt","CAS":"52556-42-0","CAS.Checksum":true,"DTXSID":"DTXSID6028028","Formula":"C6H11NaO5S","All.Compound.Names":"1-propanesulfonic acid, 2-hydroxy-3-(2-propenyloxy)-, monosodium salt|Sodium 3-(allyloxy)-2-hydroxypropanesulphonate|Dtxsid6028028|52556-42-0","logHenry":-7.811,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.253,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.094,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.01825,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.1,"MP.Reference":"EPA-CCD-OPERA","MW":218.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52556-42-0"}
{"Compound":"Oxycarboxin","CAS":"5259-88-1","CAS.Checksum":true,"DTXSID":"DTXSID8034792","Formula":"C12H13NO4S","All.Compound.Names":"Oxycarboxin|Dtxsid8034792|5259-88-1","logHenry":-8.889,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7589,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.08,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.356,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.1,"MP.Reference":"EPA-CCD-OPERA","MW":267.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5259-88-1"}
{"Compound":"Sulfaphenazole","CAS":"526-08-9","CAS.Checksum":true,"DTXSID":"DTXSID2044131","Formula":"C15H14N4O2S","All.Compound.Names":"Sulfaphenazole|Dtxsid2044131|526-08-9","logHenry":-10.45,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.521,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.898,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.322,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.1,"MP.Reference":"EPA-CCD-OPERA","MW":314.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"526-08-9"}
{"Compound":"Osalmid","CAS":"526-18-1","CAS.Checksum":true,"DTXSID":"DTXSID0042244","Formula":"C13H11NO3","All.Compound.Names":"Osalmid|Dtxsid0042244|526-18-1","logHenry":-9.114,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.296,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.924,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.051,"logWSol.Reference":"EPA-CCD-OPERA","MP":179,"MP.Reference":"EPA-CCD-OPERA","MW":229.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"526-18-1"}
{"Compound":"1,2,3-trimethylbenzene","CAS":"526-73-8","CAS.Checksum":true,"DTXSID":"DTXSID8047769","Formula":"C9H12","All.Compound.Names":"1,2,3-trimethylbenzene|Dtxsid8047769","logHenry":-2.352,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.625,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9099,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.208,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.35,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"526-73-8"}
{"Compound":"D-gluconic acid","CAS":"526-95-4","CAS.Checksum":true,"DTXSID":"DTXSID8027169","Formula":"C6H12O7","All.Compound.Names":"D-gluconic acid|Dtxsid8027169|526-95-4","logHenry":-9.736,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.498,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.72,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3191,"logWSol.Reference":"EPA-CCD-OPERA","MP":131,"MP.Reference":"EPA-CCD-OPERA","MW":196.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"526-95-4"}
{"Compound":"Mucic acid","CAS":"526-99-8","CAS.Checksum":true,"DTXSID":"DTXSID7048740","Formula":"C6H10O8","All.Compound.Names":"Mucic acid|Dtxsid7048740|526-99-8","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.493,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.71,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6405,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.5,"MP.Reference":"EPA-CCD-OPERA","MW":210.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"526-99-8"}
{"Compound":"1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride","CAS":"52605-52-4","CAS.Checksum":true,"DTXSID":"DTXSID9057761","Formula":"C13H19Cl3N2","All.Compound.Names":"1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride|Dtxsid9057761|52605-52-4","logHenry":-4.324,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5332,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.447,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.1,"MP.Reference":"EPA-CCD-OPERA","MW":309.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52605-52-4"}
{"Compound":"2-propenoic acid, 2-methyl-, 2-hydroxyethyl ester, phosphate","CAS":"52628-03-2","CAS.Checksum":true,"DTXSID":"DTXSID4044951","All.Compound.Names":"2-propenoic acid, 2-methyl-, 2-hydroxyethyl ester, phosphate|2-hydroxyethyl methacrylate phosphate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52628-03-2"}
{"Compound":"2,2',3,4',5,5',6-heptachloro-1,1'-biphenyl","CAS":"52663-68-0","CAS.Checksum":true,"DTXSID":"DTXSID5052832","Formula":"C12H3Cl7","All.Compound.Names":"2,2',3,4',5,5',6-heptachloro-1,1'-biphenyl|2,2',3,4',5,5',6-heptachlorobiphenyl|Dtxsid5052832","logHenry":-4.888,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.005,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.939,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.474,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.02,"MP.Reference":"EPA-CCD-OPERA","MW":395.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52663-68-0"}
{"Compound":"Sodium d-gluconate","CAS":"527-07-1","CAS.Checksum":true,"DTXSID":"DTXSID7027170","Formula":"C6H11NaO7","All.Compound.Names":"Sodium d-gluconate|Dtxsid7027170|527-07-1","logHenry":-9.736,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.394,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.61,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3191,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.5,"MP.Reference":"EPA-CCD-OPERA","MW":218.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"527-07-1"}
{"Compound":"Pentachloroaniline","CAS":"527-20-8","CAS.Checksum":true,"DTXSID":"DTXSID4037584","Formula":"C6H2Cl5N","All.Compound.Names":"Pentachloroaniline|Dtxsid4037584|527-20-8","logHenry":-6.981,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.819,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.295,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.095,"logWSol.Reference":"EPA-CCD-OPERA","MP":234.6,"MP.Reference":"EPA-CCD-OPERA","MW":265.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"527-20-8"}
{"Compound":"1,2,3,5-tetramethylbenzene","CAS":"527-53-7","CAS.Checksum":true,"DTXSID":"DTXSID6026119","Formula":"C10H14","All.Compound.Names":"1,2,3,5-tetramethylbenzene|Dtxsid6026119","logHenry":-2.111,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.098,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3532,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.223,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.79,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"527-53-7"}
{"Compound":"2-methylbenzamide","CAS":"527-85-5","CAS.Checksum":true,"DTXSID":"DTXSID6025569","Formula":"C8H9NO","All.Compound.Names":"2-methylbenzamide|Dtxsid6025569|527-85-5","logHenry":-8.742,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7645,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.986,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.258,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.4,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"527-85-5"}
{"Compound":"Bunazosin hydrochloride","CAS":"52712-76-2","CAS.Checksum":true,"DTXSID":"DTXSID7048588","Formula":"C19H28ClN5O3","All.Compound.Names":"Bunazosin hydrochloride|Dtxsid7048588|52712-76-2","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.815,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.456,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.957,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.3,"MP.Reference":"EPA-CCD-OPERA","MW":409.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52712-76-2"}
{"Compound":"Flamprop-isopropyl","CAS":"52756-22-6","CAS.Checksum":true,"DTXSID":"DTXSID6041977","Formula":"C19H19ClFNO3","All.Compound.Names":"Flamprop-isopropyl|Dtxsid6041977|52756-22-6","logHenry":-8.329,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.689,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.849,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.44,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.49,"MP.Reference":"EPA-CCD-OPERA","MW":363.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52756-22-6"}
{"Compound":"1,2,4-benzenetricarboxylic acid","CAS":"528-44-9","CAS.Checksum":true,"DTXSID":"DTXSID3021487","Formula":"C9H6O6","All.Compound.Names":"1,2,4-benzenetricarboxylic acid|Dtxsid3021487|528-44-9","logHenry":-9.849,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9933,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.329,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.8,"MP.Reference":"EPA-CCD-OPERA","MW":210.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"528-44-9"}
{"Compound":"Cellobiose","CAS":"528-50-7","CAS.Checksum":true,"DTXSID":"DTXSID3045984","All.Compound.Names":"Cellobiose","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"528-50-7"}
{"Compound":"D&c red no. 7","CAS":"5281-04-9","CAS.Checksum":true,"DTXSID":"DTXSID7027594","Formula":"C18H12CaN2O6S","All.Compound.Names":"D&c red no. 7|C.i. pigment red 57, calcium salt (1:1)|Dtxsid7027594|5281-04-9","logHenry":-9.005,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6735,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.988,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.243,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.5,"MP.Reference":"EPA-CCD-OPERA","MW":424.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5281-04-9"}
{"Compound":"Bis(2,2,6,6-tetramethyl-4-piperidyl) sebacate","CAS":"52829-07-9","CAS.Checksum":true,"DTXSID":"DTXSID0028030","Formula":"C28H52N2O4","All.Compound.Names":"Bis(2,2,6,6-tetramethyl-4-piperidyl) sebacate|Dtxsid0028030|52829-07-9","logHenry":-9.852,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.94,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.619,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.769,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.6,"MP.Reference":"EPA-CCD-OPERA","MW":480.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52829-07-9"}
{"Compound":"1-methyl-1-propylpyrrolidinium chloride","CAS":"528818-82-8","CAS.Checksum":true,"DTXSID":"DTXSID5049314","Formula":"C8H18ClN","All.Compound.Names":"1-methyl-1-propylpyrrolidinium chloride|Dtxsid5049314|528818-82-8","logHenry":-1.101,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.79,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.183,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.00873,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.7,"MP.Reference":"EPA-CCD-OPERA","MW":163.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"528818-82-8"}
{"Compound":"2-tolunitrile","CAS":"529-19-1","CAS.Checksum":true,"DTXSID":"DTXSID6022050","Formula":"C8H7N","All.Compound.Names":"2-tolunitrile|Dtxsid6022050","logHenry":-4.473,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.208,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.098,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7871,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.101,"MP.Reference":"EPA-CCD-OPERA","MW":117.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"529-19-1"}
{"Compound":"2-tolualdehyde","CAS":"529-20-4","CAS.Checksum":true,"DTXSID":"DTXSID1022051","Formula":"C8H8O","All.Compound.Names":"2-tolualdehyde|Dtxsid1022051","logHenry":-4.552,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.256,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.181,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.664,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.85,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"529-20-4"}
{"Compound":"1,2,3,4-tetrahydronaphthalen-1-ol","CAS":"529-33-9","CAS.Checksum":true,"DTXSID":"DTXSID7027174","Formula":"C10H12O","All.Compound.Names":"1,2,3,4-tetrahydronaphthalen-1-ol|Dtxsid7027174|529-33-9","logHenry":-6.259,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.981,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.468,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.443,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.63,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"529-33-9"}
{"Compound":"1,2,3,4-tetrahydronaphthalen-1-one","CAS":"529-34-0","CAS.Checksum":true,"DTXSID":"DTXSID2027175","Formula":"C10H10O","All.Compound.Names":"1,2,3,4-tetrahydronaphthalen-1-one|Dtxsid2027175","logHenry":-5.487,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.414,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.393,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.82,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.937,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"529-34-0"}
{"Compound":"Pyridoxamine phosphate","CAS":"529-96-4","CAS.Checksum":true,"DTXSID":"DTXSID3046825","Formula":"C8H13N2O5P","All.Compound.Names":"Pyridoxamine phosphate|Dtxsid3046825|Pyridoxamine 5'-phosphate|529-96-4","logHenry":-8.602,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1614,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.226,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.636,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.5,"MP.Reference":"EPA-CCD-OPERA","MW":248.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"529-96-4"}
{"Compound":"Cortisone","CAS":"53-06-5","CAS.Checksum":true,"DTXSID":"DTXSID5022857","Formula":"C21H28O5","All.Compound.Names":"Cortisone|Dtxsid5022857|53-06-5","logHenry":-8.906,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.471,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.941,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.164,"logWSol.Reference":"EPA-CCD-OPERA","MP":221.9,"MP.Reference":"EPA-CCD-OPERA","MW":360.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"17.38","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"53-06-5"}
{"Compound":"O,p'-ddd","CAS":"53-19-0","CAS.Checksum":true,"DTXSID":"DTXSID9020372","Formula":"C14H10Cl4","All.Compound.Names":"O,p'-ddd|1-(2-chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane|53-19-0|Dtxsid9020372|Mitotane","logHenry":-4.801,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.77,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.25,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.511,"logWSol.Reference":"EPA-CCD-OPERA","MP":81.16,"MP.Reference":"EPA-CCD-OPERA","MW":320,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.4,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"53-19-0"}
{"Compound":"(-)-cocaine hydrochloride","CAS":"53-21-4","CAS.Checksum":true,"DTXSID":"DTXSID2048903","Formula":"C17H22ClNO4","All.Compound.Names":"(-)-cocaine hydrochloride|Dtxsid2048903|53-21-4","logHenry":-7.644,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4255,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.086,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.242,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.1,"MP.Reference":"EPA-CCD-OPERA","MW":339.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.78","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53-21-4"}
{"Compound":"Fluprednisolone","CAS":"53-34-9","CAS.Checksum":true,"DTXSID":"DTXSID5046067","Formula":"C21H27FO5","All.Compound.Names":"Fluprednisolone|Dtxsid5046067|53-34-9","logHenry":-10.21,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.618,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.673,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.291,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.6,"MP.Reference":"EPA-CCD-OPERA","MW":378.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53-34-9"}
{"Compound":"Methylprednisolone acetate","CAS":"53-36-1","CAS.Checksum":true,"DTXSID":"DTXSID7023302","Formula":"C24H32O6","All.Compound.Names":"Methylprednisolone acetate|Dtxsid7023302|53-36-1","logHenry":-10.22,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.502,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.009,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.544,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.6,"MP.Reference":"EPA-CCD-OPERA","MW":416.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53-36-1"}
{"Compound":"Androsterone","CAS":"53-41-8","CAS.Checksum":true,"DTXSID":"DTXSID3036525","Formula":"C19H30O2","All.Compound.Names":"Androsterone|Dtxsid3036525|53-41-8","logHenry":-9.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.688,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.134,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.274,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.4,"MP.Reference":"EPA-CCD-OPERA","MW":290.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53-41-8"}
{"Compound":"Dehydroepiandrosterone","CAS":"53-43-0","CAS.Checksum":true,"DTXSID":"DTXSID4020379","Formula":"C19H28O2","All.Compound.Names":"Dehydroepiandrosterone|Dtxsid4020379|53-43-0","logHenry":-7.693,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.23,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.763,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.945,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.8,"MP.Reference":"EPA-CCD-OPERA","MW":288.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53-43-0"}
{"Compound":"Methantheline bromide","CAS":"53-46-3","CAS.Checksum":true,"DTXSID":"DTXSID7023277","Formula":"C21H26BrNO3","All.Compound.Names":"Methantheline bromide|Dtxsid7023277|53-46-3","logHenry":-6.981,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9707,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.55,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.947,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.5,"MP.Reference":"EPA-CCD-OPERA","MW":420.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53-46-3"}
{"Compound":"Promazine hydrochloride","CAS":"53-60-1","CAS.Checksum":true,"DTXSID":"DTXSID4046949","Formula":"C17H21ClN2S","All.Compound.Names":"Promazine hydrochloride|Dtxsid4046949|53-60-1","logHenry":-5.165,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.937,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.253,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.302,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.2,"MP.Reference":"EPA-CCD-OPERA","MW":320.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53-60-1"}
{"Compound":"Dibenz(a,h)anthracene","CAS":"53-70-3","CAS.Checksum":true,"DTXSID":"DTXSID9020409","Formula":"C22H14","All.Compound.Names":"Dibenz(a,h)anthracene|Dibenz[a,h]anthracene|Dtxsid9020409","logHenry":-6.034,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.721,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.972,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.255,"logWSol.Reference":"EPA-CCD-OPERA","MP":271.5,"MP.Reference":"EPA-CCD-OPERA","MW":278.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53-70-3"}
{"Compound":"Nadide","CAS":"53-84-9","CAS.Checksum":true,"DTXSID":"DTXSID2045236","Formula":"C21H27N7O14P2","All.Compound.Names":"Nadide|Dtxsid2045236|Nad|53-84-9","logHenry":-10.72,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.06709,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.643,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.01055,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.3,"MP.Reference":"EPA-CCD-OPERA","MW":663.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53-84-9"}
{"Compound":"2-acetylaminofluorene","CAS":"53-96-3","CAS.Checksum":true,"DTXSID":"DTXSID0039227","Formula":"C15H13NO","All.Compound.Names":"2-acetylaminofluorene|Dtxsid0039227|53-96-3","logHenry":-9.814,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.901,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.965,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.915,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.8,"MP.Reference":"EPA-CCD-OPERA","MW":223.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53-96-3"}
{"Compound":"Chloramphenicol palmitate","CAS":"530-43-8","CAS.Checksum":true,"DTXSID":"DTXSID9048699","Formula":"C27H42Cl2N2O6","All.Compound.Names":"Chloramphenicol palmitate|530-43-8|Dtxsid9048699","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.393,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.299,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.801,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.7,"MP.Reference":"EPA-CCD-OPERA","MW":561.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.8,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"530-43-8"}
{"Compound":"Flufenamic acid","CAS":"530-78-9","CAS.Checksum":true,"DTXSID":"DTXSID7023063","Formula":"C14H10F3NO2","All.Compound.Names":"Flufenamic acid|Dtxsid7023063|530-78-9","logHenry":-8.845,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.245,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.775,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.819,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.7,"MP.Reference":"EPA-CCD-OPERA","MW":281.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"530-78-9"}
{"Compound":"9-cis retinoic acid","CAS":"5300-03-8","CAS.Checksum":true,"DTXSID":"DTXSID6040404","Formula":"C20H28O2","All.Compound.Names":"9-cis retinoic acid|9-cis- retinoic acid|Dtxsid6040404|5300-03-8","logHenry":-4.403,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.298,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.812,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.976,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.3,"MP.Reference":"EPA-CCD-OPERA","MW":300.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5300-03-8"}
{"Compound":"Norelgestromin","CAS":"53016-31-2","CAS.Checksum":true,"DTXSID":"DTXSID9046788","Formula":"C21H29NO2","All.Compound.Names":"Norelgestromin|Dtxsid9046788|53016-31-2","logHenry":-9.42,"logHenry.Reference":"OPERA29","logP":3.13,"logP.Reference":"OPERA29","logWSol":-4.96,"logWSol.Reference":"OPERA29","MP":210,"MP.Reference":"OPERA29","MW":327.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53016-31-2"}
{"Compound":"2-nitro-1,4-phenylenediamine","CAS":"5307-14-2","CAS.Checksum":true,"DTXSID":"DTXSID4020957","Formula":"C6H7N3O2","All.Compound.Names":"2-nitro-1,4-phenylenediamine|Dtxsid4020957|5307-14-2","logHenry":-6.963,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5333,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.306,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.311,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.3,"MP.Reference":"EPA-CCD-OPERA","MW":153.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5307-14-2"}
{"Compound":"Esculin","CAS":"531-75-9","CAS.Checksum":true,"DTXSID":"DTXSID7045318","Formula":"C15H16O9","All.Compound.Names":"Esculin|Dtxsid7045318|531-75-9","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.073,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.55,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.718,"logWSol.Reference":"EPA-CCD-OPERA","MP":242.5,"MP.Reference":"EPA-CCD-OPERA","MW":340.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"531-75-9"}
{"Compound":"Benzidine dihydrochloride","CAS":"531-85-1","CAS.Checksum":true,"DTXSID":"DTXSID7020138","Formula":"C12H14Cl2N2","All.Compound.Names":"Benzidine dihydrochloride|Dtxsid7020138|531-85-1","logHenry":-6.974,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.005,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.354,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.739,"logWSol.Reference":"EPA-CCD-OPERA","MP":128,"MP.Reference":"EPA-CCD-OPERA","MW":257.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"531-85-1"}
{"Compound":"Sirolimus","CAS":"53123-88-9","CAS.Checksum":true,"DTXSID":"DTXSID5023582","Formula":"C51H79NO13","All.Compound.Names":"Sirolimus|53123-88-9|Dtxsid5023582","logHenry":-9.811,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.094,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.551,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.188,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.4,"MP.Reference":"EPA-CCD-OPERA","MW":914.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"12,5.33,27.1","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"50.12","Human.Clint.Reference":"Dawson 2021","Human.Foral":0.15,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"53123-88-9"}
{"Compound":"Buprenorphine hydrochloride","CAS":"53152-21-9","CAS.Checksum":true,"DTXSID":"DTXSID2048905","Formula":"C29H42ClNO4","All.Compound.Names":"Buprenorphine hydrochloride","logHenry":-9.88,"logHenry.Reference":"OPERA29","logP":4.34,"logP.Reference":"OPERA29","logWSol":-4.47,"logWSol.Reference":"OPERA29","MP":161.6,"MP.Reference":"EPA-CCD-OPERA","MW":504.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53152-21-9"}
{"Compound":"Acemetacin","CAS":"53164-05-9","CAS.Checksum":true,"DTXSID":"DTXSID7022540","Formula":"C21H18ClNO6","All.Compound.Names":"Acemetacin|Dtxsid7022540|53164-05-9","logHenry":-8.993,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.55,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.724,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.598,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.5,"MP.Reference":"EPA-CCD-OPERA","MW":415.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53164-05-9"}
{"Compound":"Nisoxetine","CAS":"53179-07-0","CAS.Checksum":true,"DTXSID":"DTXSID0045175","Formula":"C17H21NO2","All.Compound.Names":"Nisoxetine|Dtxsid0045175|53179-07-0","logHenry":-6.931,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.276,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.278,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.421,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.5,"MP.Reference":"EPA-CCD-OPERA","MW":271.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"12.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53179-07-0"}
{"Compound":"Sisomicin sulfate","CAS":"53179-09-2","CAS.Checksum":true,"DTXSID":"DTXSID9045479","Formula":"C38H84N10O34S5","All.Compound.Names":"Sisomicin sulfate|Dtxsid9045479|53179-09-2","logHenry":-10.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6989,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.873,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.267,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.8,"MP.Reference":"EPA-CCD-OPERA","MW":1385,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.59","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53179-09-2"}
{"Compound":"Pirfenidone","CAS":"53179-13-8","CAS.Checksum":true,"DTXSID":"DTXSID4045183","Formula":"C12H11NO","All.Compound.Names":"Pirfenidone|5-methyl-1-phenyl-2(1h)-pyridone|Dtxsid4045183|53179-13-8","logHenry":-5.207,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.944,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.438,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.688,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.9,"MP.Reference":"EPA-CCD-OPERA","MW":185.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53179-13-8"}
{"Compound":"Sodium 2-naphthalenesulfonate","CAS":"532-02-5","CAS.Checksum":true,"DTXSID":"DTXSID4041442","Formula":"C10H7NaO3S","All.Compound.Names":"Sodium 2-naphthalenesulfonate|Dtxsid4041442|532-02-5","logHenry":-6.985,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.636,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.43,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.511,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.3,"MP.Reference":"EPA-CCD-OPERA","MW":230.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"532-02-5"}
{"Compound":"Methocarbamol","CAS":"532-03-6","CAS.Checksum":true,"DTXSID":"DTXSID6023286","Formula":"C11H15NO5","All.Compound.Names":"Methocarbamol|Dtxsid6023286|532-03-6","logHenry":-8.959,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6108,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.754,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.251,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.05,"MP.Reference":"EPA-CCD-OPERA","MW":241.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"532-03-6"}
{"Compound":"Anethole trithione","CAS":"532-11-6","CAS.Checksum":true,"DTXSID":"DTXSID9046651","Formula":"C10H8OS3","All.Compound.Names":"Anethole trithione|Dtxsid9046651","logHenry":-6.139,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.821,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.149,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.352,"logWSol.Reference":"EPA-CCD-OPERA","MP":103,"MP.Reference":"EPA-CCD-OPERA","MW":240.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"532-11-6"}
{"Compound":"2-chloroacetophenone","CAS":"532-27-4","CAS.Checksum":true,"DTXSID":"DTXSID9020293","Formula":"C8H7ClO","All.Compound.Names":"2-chloroacetophenone|Dtxsid9020293","logHenry":-5.531,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.394,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.682,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.905,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.16,"MP.Reference":"EPA-CCD-OPERA","MW":154.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"532-27-4"}
{"Compound":"Alpha-hydroxybenzeneacetonitrile","CAS":"532-28-5","CAS.Checksum":true,"DTXSID":"DTXSID2025422","Formula":"C8H7NO","All.Compound.Names":"Alpha-hydroxybenzeneacetonitrile|Dtxsid2025422|532-28-5","logHenry":-6.956,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7651,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.117,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9085,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.708,"MP.Reference":"EPA-CCD-OPERA","MW":133.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"532-28-5"}
{"Compound":"Sodium benzoate","CAS":"532-32-1","CAS.Checksum":true,"DTXSID":"DTXSID1020140","Formula":"C7H5NaO2","All.Compound.Names":"Sodium benzoate|Dtxsid1020140|532-32-1","logHenry":-6.574,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.558,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.466,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4792,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.4,"MP.Reference":"EPA-CCD-OPERA","MW":144.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"532-32-1"}
{"Compound":"Monophosphothiamine","CAS":"532-40-1","CAS.Checksum":true,"DTXSID":"DTXSID6046397","Formula":"C12H18ClN4O4PS","All.Compound.Names":"Monophosphothiamine|Thiamine monophosphate|Dtxsid6046397|532-40-1","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6208,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.725,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.507,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.3,"MP.Reference":"EPA-CCD-OPERA","MW":380.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"532-40-1"}
{"Compound":"Thiamine nitrate","CAS":"532-43-4","CAS.Checksum":true,"DTXSID":"DTXSID4038762","Formula":"C12H17N5O4S","All.Compound.Names":"Thiamine nitrate|Dtxsid4038762|532-43-4","logHenry":-9.029,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.427,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.81,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.22,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.1,"MP.Reference":"EPA-CCD-OPERA","MW":327.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"532-43-4"}
{"Compound":"Amylocaine hydrochloride","CAS":"532-59-2","CAS.Checksum":true,"DTXSID":"DTXSID1045320","Formula":"C14H22ClNO2","All.Compound.Names":"Amylocaine hydrochloride|Dtxsid1045320|532-59-2","logHenry":-6.924,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4194,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.833,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.391,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.8,"MP.Reference":"EPA-CCD-OPERA","MW":271.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"532-59-2"}
{"Compound":"Hexylcaine hydrochloride","CAS":"532-76-3","CAS.Checksum":true,"DTXSID":"DTXSID6045321","Formula":"C16H24ClNO2","All.Compound.Names":"Hexylcaine hydrochloride|Dtxsid6045321|532-76-3","logHenry":-9.512,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4487,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.598,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.709,"logWSol.Reference":"EPA-CCD-OPERA","MP":178,"MP.Reference":"EPA-CCD-OPERA","MW":297.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"532-76-3"}
{"Compound":"C.i. basic oange 2","CAS":"532-82-1","CAS.Checksum":true,"DTXSID":"DTXSID0024559","Formula":"C12H13ClN4","All.Compound.Names":"C.i. basic oange 2|C.i. basic orange 2|Dtxsid0024559|532-82-1","logHenry":-7.623,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.252,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.404,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.092,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.6,"MP.Reference":"EPA-CCD-OPERA","MW":248.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"532-82-1"}
{"Compound":"Hetacillin potassium","CAS":"5321-32-4","CAS.Checksum":true,"DTXSID":"DTXSID0045830","Formula":"C19H22KN3O4S","All.Compound.Names":"Hetacillin potassium|Dtxsid0045830|5321-32-4","logHenry":-11.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.443,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.109,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.17,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.8,"MP.Reference":"EPA-CCD-OPERA","MW":427.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5321-32-4"}
{"Compound":"7-octen-2-ol, 2-methyl-6-methylene-, dihydro deriv.","CAS":"53219-21-9","CAS.Checksum":true,"DTXSID":"DTXSID6041557","All.Compound.Names":"7-octen-2-ol, 2-methyl-6-methylene-, dihydro deriv.|Dihydromyrcenol","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53219-21-9"}
{"Compound":"2-hydroxyethylammonium formate","CAS":"53226-35-0","CAS.Checksum":true,"DTXSID":"DTXSID5047902","Formula":"C3H9NO3","All.Compound.Names":"2-hydroxyethylammonium formate|Dtxsid5047902|53226-35-0","logHenry":-7.225,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.277,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.441,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.214,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.22,"MP.Reference":"EPA-CCD-OPERA","MW":107.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53226-35-0"}
{"Compound":"Sodium 1-octanesulfonate","CAS":"5324-84-5","CAS.Checksum":true,"DTXSID":"DTXSID2027595","Formula":"C8H17NaO3S","All.Compound.Names":"Sodium 1-octanesulfonate|Dtxsid2027595|5324-84-5","logHenry":-7.873,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2096,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.566,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.014,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.37,"MP.Reference":"EPA-CCD-OPERA","MW":216.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5324-84-5"}
{"Compound":"Pinaverium bromide","CAS":"53251-94-8","CAS.Checksum":true,"DTXSID":"DTXSID2048614","Formula":"C26H41Br2NO4","All.Compound.Names":"Pinaverium bromide|Dtxsid2048614|53251-94-8","logHenry":-6.438,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3626,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.05,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.49,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.4,"MP.Reference":"EPA-CCD-OPERA","MW":591.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53251-94-8"}
{"Compound":"D-gluconic acid, barium salt","CAS":"5328-41-6","CAS.Checksum":true,"DTXSID":"DTXSID7045079","Formula":"C12H22BaO14","All.Compound.Names":"D-gluconic acid, barium salt|Dtxsid7045079|5328-41-6","logHenry":-9.736,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.347,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.57,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3191,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.8,"MP.Reference":"EPA-CCD-OPERA","MW":527.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5328-41-6"}
{"Compound":"Sulfamic acid","CAS":"5329-14-6","CAS.Checksum":true,"DTXSID":"DTXSID6034005","Formula":"H3NO3S","All.Compound.Names":"Sulfamic acid","MW":97.09,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5329-14-6"}
{"Compound":"2,4-d-ethyl ester","CAS":"533-23-3","CAS.Checksum":true,"DTXSID":"DTXSID1041346","Formula":"C10H10Cl2O3","All.Compound.Names":"2,4-d-ethyl ester|Dtxsid1041346","logHenry":-7.575,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.135,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.433,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.351,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.16,"MP.Reference":"EPA-CCD-OPERA","MW":249.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"533-23-3"}
{"Compound":"Piperocaine hydrochloride","CAS":"533-28-8","CAS.Checksum":true,"DTXSID":"DTXSID2046709","Formula":"C16H24ClNO2","All.Compound.Names":"Piperocaine hydrochloride|Dtxsid2046709|533-28-8","logHenry":-7.731,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5033,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.957,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.683,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.4,"MP.Reference":"EPA-CCD-OPERA","MW":297.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"533-28-8"}
{"Compound":"Sesamol","CAS":"533-31-3","CAS.Checksum":true,"DTXSID":"DTXSID9021267","Formula":"C7H6O3","All.Compound.Names":"Sesamol|Dtxsid9021267|533-31-3","logHenry":-6.842,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.021,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.944,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.257,"logWSol.Reference":"EPA-CCD-OPERA","MP":88.02,"MP.Reference":"EPA-CCD-OPERA","MW":138.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"533-31-3"}
{"Compound":"Tropolone","CAS":"533-75-5","CAS.Checksum":true,"DTXSID":"DTXSID8049416","Formula":"C7H6O2","All.Compound.Names":"Tropolone|Dtxsid8049416","logHenry":-6.046,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.53,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.792,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4793,"logWSol.Reference":"EPA-CCD-OPERA","MP":50.72,"MP.Reference":"EPA-CCD-OPERA","MW":122.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"533-75-5"}
{"Compound":"Tilarginine acetate","CAS":"53308-83-1","CAS.Checksum":true,"DTXSID":"DTXSID7045780","Formula":"C9H20N4O4","All.Compound.Names":"Tilarginine acetate|Dtxsid7045780|53308-83-1","logHenry":-10.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.334,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.586,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6143,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.1,"MP.Reference":"EPA-CCD-OPERA","MW":248.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"12.64","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53308-83-1"}
{"Compound":"Hydrazinecarboxylic acid, phenylmethyl ester","CAS":"5331-43-1","CAS.Checksum":true,"DTXSID":"DTXSID1047447","Formula":"C8H10N2O2","All.Compound.Names":"Hydrazinecarboxylic acid, phenylmethyl ester|Dtxsid1047447|5331-43-1","logHenry":-7.923,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4204,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.38,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.953,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.1,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5331-43-1"}
{"Compound":"3-methoxypropylamine","CAS":"5332-73-0","CAS.Checksum":true,"DTXSID":"DTXSID7027596","Formula":"C4H11NO","All.Compound.Names":"3-methoxypropylamine|Dtxsid7027596|5332-73-0","logHenry":-6.294,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.05909,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.268,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.077,"logWSol.Reference":"EPA-CCD-OPERA","MP":-42.01,"MP.Reference":"EPA-CCD-OPERA","MW":89.14,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5332-73-0"}
{"Compound":"2-octyl-1-dodecanol","CAS":"5333-42-6","CAS.Checksum":true,"DTXSID":"DTXSID3036288","Formula":"C20H42O","All.Compound.Names":"2-octyl-1-dodecanol|Dtxsid3036288|5333-42-6","logHenry":-6.111,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.816,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.245,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.624,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.95,"MP.Reference":"EPA-CCD-OPERA","MW":298.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5333-42-6"}
{"Compound":"Exalamide","CAS":"53370-90-4","CAS.Checksum":true,"DTXSID":"DTXSID9045899","Formula":"C13H19NO2","All.Compound.Names":"Exalamide|Dtxsid9045899|53370-90-4","logHenry":-9.702,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.377,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.59,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.584,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.25,"MP.Reference":"EPA-CCD-OPERA","MW":221.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53370-90-4"}
{"Compound":"1,3-dichloropropanone","CAS":"534-07-6","CAS.Checksum":true,"DTXSID":"DTXSID2021577","Formula":"C3H4Cl2O","All.Compound.Names":"1,3-dichloropropanone|Dtxsid2021577","logHenry":-4.948,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.067,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.853,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2779,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.53,"MP.Reference":"EPA-CCD-OPERA","MW":127,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"534-07-6"}
{"Compound":"N,n'-dimethylthiourea","CAS":"534-13-4","CAS.Checksum":true,"DTXSID":"DTXSID2042191","Formula":"C3H8N2S","All.Compound.Names":"N,n'-dimethylthiourea|Dtxsid2042191|534-13-4","logHenry":-8.416,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2403,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.316,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9736,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.11,"MP.Reference":"EPA-CCD-OPERA","MW":104.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"534-13-4"}
{"Compound":"1,1-dimethoxyethane","CAS":"534-15-6","CAS.Checksum":true,"DTXSID":"DTXSID7027178","Formula":"C4H10O2","All.Compound.Names":"1,1-dimethoxyethane|Dtxsid7027178","logHenry":-4.14,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3928,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.277,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.037,"logWSol.Reference":"EPA-CCD-OPERA","MP":-112.5,"MP.Reference":"EPA-CCD-OPERA","MW":90.12,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"534-15-6"}
{"Compound":"2-methylfuran","CAS":"534-22-5","CAS.Checksum":true,"DTXSID":"DTXSID9025611","Formula":"C5H6O","All.Compound.Names":"2-methylfuran|Dtxsid9025611|534-22-5","logHenry":-3.863,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.85,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9498,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.436,"logWSol.Reference":"EPA-CCD-OPERA","MP":-87.48,"MP.Reference":"EPA-CCD-OPERA","MW":82.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"534-22-5"}
{"Compound":"Pimeclone","CAS":"534-84-9","CAS.Checksum":true,"DTXSID":"DTXSID5046194","Formula":"C12H21NO","All.Compound.Names":"Pimeclone|Dtxsid5046194|534-84-9","logHenry":-4.34,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.169,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.602,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4258,"logWSol.Reference":"EPA-CCD-OPERA","MP":119.8,"MP.Reference":"EPA-CCD-OPERA","MW":195.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"534-84-9"}
{"Compound":"1,2-benzenediamine,n-phenyl-","CAS":"534-85-0","CAS.Checksum":true,"DTXSID":"DTXSID0049315","Formula":"C12H12N2","All.Compound.Names":"1,2-benzenediamine,n-phenyl-|2-aminodiphenylamine|Dtxsid0049315|534-85-0","logHenry":-6.971,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.965,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.426,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.566,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.48,"MP.Reference":"EPA-CCD-OPERA","MW":184.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"534-85-0"}
{"Compound":"Etilefrine hydrochloride","CAS":"534-87-2","CAS.Checksum":true,"DTXSID":"DTXSID1045322","Formula":"C10H16ClNO2","All.Compound.Names":"Etilefrine hydrochloride|Dtxsid1045322|534-87-2","logHenry":-9.779,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.333,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.458,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.945,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.7,"MP.Reference":"EPA-CCD-OPERA","MW":217.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.78","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"534-87-2"}
{"Compound":"2-(pyridin-4-yl)ethanol","CAS":"5344-27-4","CAS.Checksum":true,"DTXSID":"DTXSID4044953","Formula":"C7H9NO","All.Compound.Names":"2-(pyridin-4-yl)ethanol|Dtxsid4044953|5344-27-4","logHenry":-6.553,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.09986,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.153,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6104,"logWSol.Reference":"EPA-CCD-OPERA","MP":33.96,"MP.Reference":"EPA-CCD-OPERA","MW":123.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5344-27-4"}
{"Compound":"4-(2-methylbutan-2-yl)cyclohexanol","CAS":"5349-51-9","CAS.Checksum":true,"DTXSID":"DTXSID9040716","Formula":"C11H22O","All.Compound.Names":"4-(2-methylbutan-2-yl)cyclohexanol|Dtxsid9040716|5349-51-9","logHenry":-4.692,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.422,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.081,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.843,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.07,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5349-51-9"}
{"Compound":"Glybuthiazol","CAS":"535-65-9","CAS.Checksum":true,"DTXSID":"DTXSID4057762","Formula":"C12H16N4O2S2","All.Compound.Names":"Glybuthiazol|Dtxsid4057762|535-65-9","logHenry":-9.809,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.178,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.103,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.737,"logWSol.Reference":"EPA-CCD-OPERA","MP":222,"MP.Reference":"EPA-CCD-OPERA","MW":312.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"535-65-9"}
{"Compound":"3-chlorobenzoic acid","CAS":"535-80-8","CAS.Checksum":true,"DTXSID":"DTXSID9024770","Formula":"C7H5ClO2","All.Compound.Names":"3-chlorobenzoic acid|Dtxsid9024770|535-80-8","logHenry":-7.364,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.677,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.812,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.562,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.2,"MP.Reference":"EPA-CCD-OPERA","MW":156.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"535-80-8"}
{"Compound":"3,5-diaminobenzoic acid","CAS":"535-87-5","CAS.Checksum":true,"DTXSID":"DTXSID1044437","Formula":"C7H8N2O2","All.Compound.Names":"3,5-diaminobenzoic acid|Dtxsid1044437|535-87-5","logHenry":-8.567,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.08791,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.212,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.011,"logWSol.Reference":"EPA-CCD-OPERA","MP":227.8,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"535-87-5"}
{"Compound":"Diaveridine","CAS":"5355-16-8","CAS.Checksum":true,"DTXSID":"DTXSID2046200","Formula":"C13H16N4O2","All.Compound.Names":"Diaveridine|Dtxsid2046200|5355-16-8","logHenry":-8.23,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9709,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.284,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.674,"logWSol.Reference":"EPA-CCD-OPERA","MP":233,"MP.Reference":"EPA-CCD-OPERA","MW":260.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5355-16-8"}
{"Compound":"Pyrinuron","CAS":"53558-25-1","CAS.Checksum":true,"DTXSID":"DTXSID1042360","Formula":"C13H12N4O3","All.Compound.Names":"Pyrinuron|N-(4-nitrophenyl)-n'-(3-pyridinylmethyl)urea|Dtxsid1042360|53558-25-1","logHenry":-8.245,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.192,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.111,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.892,"logWSol.Reference":"EPA-CCD-OPERA","MP":237.6,"MP.Reference":"EPA-CCD-OPERA","MW":272.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53558-25-1"}
{"Compound":"Benzeneethanamine, 4-bromo-2,5-dimethoxy-alpha-methyl-, hydrobromide (1:1)","CAS":"53581-53-6","CAS.Checksum":true,"DTXSID":"DTXSID7049001","Formula":"C11H17Br2NO2","All.Compound.Names":"Benzeneethanamine, 4-bromo-2,5-dimethoxy-alpha-methyl-, hydrobromide (1:1)|Brolamfetamine hydrobromide|Dtxsid7049001|53581-53-6","logHenry":-8.833,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.506,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.155,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.7,"MP.Reference":"EPA-CCD-OPERA","MW":355.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53581-53-6"}
{"Compound":"Ethionamide","CAS":"536-33-4","CAS.Checksum":true,"DTXSID":"DTXSID0020577","Formula":"C8H10N2S","All.Compound.Names":"Ethionamide|536-33-4|Dtxsid0020577","logHenry":-8.728,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8963,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.603,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.826,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.8,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.8,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"536-33-4"}
{"Compound":"Dyclonine hydrochloride","CAS":"536-43-6","CAS.Checksum":true,"DTXSID":"DTXSID6045323","Formula":"C18H28ClNO2","All.Compound.Names":"Dyclonine hydrochloride|Dtxsid6045323|536-43-6","logHenry":-7.067,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.257,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.018,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.824,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.2,"MP.Reference":"EPA-CCD-OPERA","MW":325.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"536-43-6"}
{"Compound":"4-isopropylbenzyl alcohol","CAS":"536-60-7","CAS.Checksum":true,"DTXSID":"DTXSID0021626","Formula":"C10H14O","All.Compound.Names":"4-isopropylbenzyl alcohol|Dtxsid0021626|536-60-7","logHenry":-6.197,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.52,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.251,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.491,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.29,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"536-60-7"}
{"Compound":"Fusaric acid","CAS":"536-69-6","CAS.Checksum":true,"DTXSID":"DTXSID5023085","Formula":"C10H13NO2","All.Compound.Names":"Fusaric acid|Dtxsid5023085|536-69-6","logHenry":-8.226,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.747,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.78,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.261,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.14,"MP.Reference":"EPA-CCD-OPERA","MW":179.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.71","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"536-69-6"}
{"Compound":"3-methoxyaniline","CAS":"536-90-3","CAS.Checksum":true,"DTXSID":"DTXSID8024529","Formula":"C7H9NO","All.Compound.Names":"3-methoxyaniline|Dtxsid8024529|536-90-3","logHenry":-6.785,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.931,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.298,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.2968,"MP.Reference":"EPA-CCD-OPERA","MW":123.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"536-90-3"}
{"Compound":"Eucatropine hydrochloride","CAS":"536-93-6","CAS.Checksum":true,"DTXSID":"DTXSID6045828","Formula":"C17H26ClNO3","All.Compound.Names":"Eucatropine hydrochloride|Dtxsid6045828|536-93-6","logHenry":-9.589,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4428,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.42,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.339,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.3,"MP.Reference":"EPA-CCD-OPERA","MW":327.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"536-93-6"}
{"Compound":"(s)-(+)-1-dimethylamino-2-propanol","CAS":"53636-17-2","CAS.Checksum":true,"DTXSID":"DTXSID5046562","Formula":"C5H13NO","All.Compound.Names":"(s)-(+)-1-dimethylamino-2-propanol|Dtxsid5046562|53636-17-2","logHenry":-6.147,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1997,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.995,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9373,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.4,"MP.Reference":"EPA-CCD-OPERA","MW":103.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.76","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53636-17-2"}
{"Compound":"Bufetolol","CAS":"53684-49-4","CAS.Checksum":true,"DTXSID":"DTXSID9057763","Formula":"C18H29NO4","All.Compound.Names":"Bufetolol|Dtxsid9057763|53684-49-4","logHenry":-8.229,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.975,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.234,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.938,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.7,"MP.Reference":"EPA-CCD-OPERA","MW":323.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53684-49-4"}
{"Compound":"Diperodon hydrochloride","CAS":"537-12-2","CAS.Checksum":true,"DTXSID":"DTXSID1045324","Formula":"C22H28ClN3O4","All.Compound.Names":"Diperodon hydrochloride|Dtxsid1045324|537-12-2","logHenry":-10.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.036,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.569,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.093,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.3,"MP.Reference":"EPA-CCD-OPERA","MW":433.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.52","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"537-12-2"}
{"Compound":"Amanozine","CAS":"537-17-7","CAS.Checksum":true,"DTXSID":"DTXSID5046190","Formula":"C9H9N5","All.Compound.Names":"Amanozine|Dtxsid5046190|537-17-7","logHenry":-8.028,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.708,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.404,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.925,"logWSol.Reference":"EPA-CCD-OPERA","MP":235.5,"MP.Reference":"EPA-CCD-OPERA","MW":187.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"537-17-7"}
{"Compound":"N-acetyl-l-tyrosine","CAS":"537-55-3","CAS.Checksum":true,"DTXSID":"DTXSID7046045","Formula":"C11H13NO4","All.Compound.Names":"N-acetyl-l-tyrosine|Dtxsid7046045|537-55-3","logHenry":-9.527,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.318,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.801,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.7,"MP.Reference":"EPA-CCD-OPERA","MW":223.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"537-55-3"}
{"Compound":"N-acetyl-m-toluidine","CAS":"537-92-8","CAS.Checksum":true,"DTXSID":"DTXSID6024412","Formula":"C9H11NO","All.Compound.Names":"N-acetyl-m-toluidine|Dtxsid6024412|537-92-8","logHenry":-8.414,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.675,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.821,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.09,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.66,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"537-92-8"}
{"Compound":"Mexiletene hydrochloride","CAS":"5370-01-4","CAS.Checksum":true,"DTXSID":"DTXSID2045783","Formula":"C11H18ClNO","All.Compound.Names":"Mexiletene hydrochloride|1-methyl-2-(2,6-xylyloxy)ethylammonium chloride|Dtxsid2045783|5370-01-4","logHenry":-5.979,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6204,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.113,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.839,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.9,"MP.Reference":"EPA-CCD-OPERA","MW":215.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5370-01-4"}
{"Compound":"Oxfendazole","CAS":"53716-50-0","CAS.Checksum":true,"DTXSID":"DTXSID9044112","Formula":"C15H13N3O3S","All.Compound.Names":"Oxfendazole|Dtxsid9044112|53716-50-0","logHenry":-10.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.844,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.73,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.381,"logWSol.Reference":"EPA-CCD-OPERA","MP":234.5,"MP.Reference":"EPA-CCD-OPERA","MW":315.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53716-50-0"}
{"Compound":"(-)-alpha-methadol hydrochloride","CAS":"53757-34-9","CAS.Checksum":true,"DTXSID":"DTXSID1048916","Formula":"C21H30ClNO","All.Compound.Names":"(-)-alpha-methadol hydrochloride|Dtxsid1048916|53757-34-9","logHenry":-6.613,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9635,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.28,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.713,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.8,"MP.Reference":"EPA-CCD-OPERA","MW":347.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53757-34-9"}
{"Compound":"Cis-flupentixol","CAS":"53772-82-0","CAS.Checksum":true,"DTXSID":"DTXSID9046310","Formula":"C23H25F3N2OS","All.Compound.Names":"Cis-flupentixol|Dtxsid9046310|53772-82-0","logHenry":-9.981,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.509,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.825,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.712,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.7,"MP.Reference":"EPA-CCD-OPERA","MW":434.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53772-82-0"}
{"Compound":"1-phenyl-1h-tetrazole","CAS":"5378-52-9","CAS.Checksum":true,"DTXSID":"DTXSID6046765","Formula":"C7H6N4","All.Compound.Names":"1-phenyl-1h-tetrazole|Dtxsid6046765|5378-52-9","logHenry":-6.27,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.09,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.685,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9259,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.5,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5378-52-9"}
{"Compound":"5-chloro-1-(4-piperidyl)-1h-benzimidazol-2(3h)-one","CAS":"53786-28-0","CAS.Checksum":true,"DTXSID":"DTXSID4057764","Formula":"C12H14ClN3O","All.Compound.Names":"5-chloro-1-(4-piperidyl)-1h-benzimidazol-2(3h)-one|Dtxsid4057764|53786-28-0","logHenry":-9.566,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.086,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.167,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.104,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.4,"MP.Reference":"EPA-CCD-OPERA","MW":251.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53786-28-0"}
{"Compound":"Ethyl 4-(2-amino-4-chloroanilino)piperidine-1-carboxylate","CAS":"53786-45-1","CAS.Checksum":true,"DTXSID":"DTXSID9057765","Formula":"C14H20ClN3O2","All.Compound.Names":"Ethyl 4-(2-amino-4-chloroanilino)piperidine-1-carboxylate|Dtxsid9057765|53786-45-1","logHenry":-8.983,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.116,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.077,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.968,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.2,"MP.Reference":"EPA-CCD-OPERA","MW":297.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53786-45-1"}
{"Compound":"Ribostamycin sulfate","CAS":"53797-35-6","CAS.Checksum":true,"DTXSID":"DTXSID8045480","Formula":"C17H36N4O14S","All.Compound.Names":"Ribostamycin sulfate|Dtxsid8045480|53797-35-6","logHenry":-10.64,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7943,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.802,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1752,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.7,"MP.Reference":"EPA-CCD-OPERA","MW":552.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53797-35-6"}
{"Compound":"Tricaprylin","CAS":"538-23-8","CAS.Checksum":true,"DTXSID":"DTXSID6021375","Formula":"C27H50O6","All.Compound.Names":"Tricaprylin|Dtxsid6021375","logHenry":-6.531,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.472,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.213,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.874,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.824,"MP.Reference":"EPA-CCD-OPERA","MW":470.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"538-23-8"}
{"Compound":"4,4'-diaminoazobenzene","CAS":"538-41-0","CAS.Checksum":true,"DTXSID":"DTXSID2020399","Formula":"C12H12N4","All.Compound.Names":"4,4'-diaminoazobenzene|Dtxsid2020399|538-41-0","logHenry":-7.632,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.412,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.749,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.496,"logWSol.Reference":"EPA-CCD-OPERA","MP":250.4,"MP.Reference":"EPA-CCD-OPERA","MW":212.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"538-41-0"}
{"Compound":"Domiphen bromide","CAS":"538-71-6","CAS.Checksum":true,"DTXSID":"DTXSID5033468","Formula":"C22H40BrNO","All.Compound.Names":"Domiphen bromide|Dtxsid5033468|538-71-6","logHenry":-6.024,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1927,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.387,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.006,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.5,"MP.Reference":"EPA-CCD-OPERA","MW":414.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"538-71-6"}
{"Compound":"Benzyl sulfide","CAS":"538-74-9","CAS.Checksum":true,"DTXSID":"DTXSID6024599","Formula":"C14H14S","All.Compound.Names":"Benzyl sulfide|Dtxsid6024599","logHenry":-4.499,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.184,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.316,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.34,"MP.Reference":"EPA-CCD-OPERA","MW":214.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"538-74-9"}
{"Compound":"Dicyclohexylcarbodiimide","CAS":"538-75-0","CAS.Checksum":true,"DTXSID":"DTXSID1023817","Formula":"C13H22N2","All.Compound.Names":"Dicyclohexylcarbodiimide|Dtxsid1023817|538-75-0","logHenry":-3.278,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.99,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.28,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.886,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.6,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"538-75-0"}
{"Compound":"Isobutylbenzene","CAS":"538-93-2","CAS.Checksum":true,"DTXSID":"DTXSID6027181","Formula":"C10H14","All.Compound.Names":"Isobutylbenzene|Dtxsid6027181","logHenry":-2.094,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.438,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1257,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.114,"logWSol.Reference":"EPA-CCD-OPERA","MP":-82.23,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"538-93-2"}
{"Compound":"Lonazolac","CAS":"53808-88-1","CAS.Checksum":true,"DTXSID":"DTXSID4046151","Formula":"C17H13ClN2O2","All.Compound.Names":"Lonazolac|Dtxsid4046151|53808-88-1","logHenry":-9.583,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.037,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.523,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.479,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.6,"MP.Reference":"EPA-CCD-OPERA","MW":312.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.44","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53808-88-1"}
{"Compound":"Lodoxamide","CAS":"53882-12-5","CAS.Checksum":true,"DTXSID":"DTXSID9057767","Formula":"C11H6ClN3O6","All.Compound.Names":"Lodoxamide|Dtxsid9057767|53882-12-5","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.00107,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.409,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.288,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.2,"MP.Reference":"EPA-CCD-OPERA","MW":311.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53882-12-5"}
{"Compound":"Triisononyl trimellitate","CAS":"53894-23-8","CAS.Checksum":true,"DTXSID":"DTXSID5028033","All.Compound.Names":"Triisononyl trimellitate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53894-23-8"}
{"Compound":"Hordenine","CAS":"539-15-1","CAS.Checksum":true,"DTXSID":"DTXSID2046096","Formula":"C10H15NO","All.Compound.Names":"Hordenine|Dtxsid2046096|539-15-1","logHenry":-6.557,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.853,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.873,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.374,"logWSol.Reference":"EPA-CCD-OPERA","MP":117.2,"MP.Reference":"EPA-CCD-OPERA","MW":165.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"539-15-1"}
{"Compound":"Ambazone","CAS":"539-21-9","CAS.Checksum":true,"DTXSID":"DTXSID3046407","Formula":"C8H11N7S","All.Compound.Names":"Ambazone|Dtxsid3046407|539-21-9","logHenry":-9.008,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.23,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.661,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.343,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.6,"MP.Reference":"EPA-CCD-OPERA","MW":237.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"539-21-9"}
{"Compound":"Ethyl levulinate","CAS":"539-88-8","CAS.Checksum":true,"DTXSID":"DTXSID8047058","Formula":"C7H12O3","All.Compound.Names":"Ethyl levulinate|Dtxsid8047058","logHenry":-5.543,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5096,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.968,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.00055,"logWSol.Reference":"EPA-CCD-OPERA","MP":-35.67,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"539-88-8"}
{"Compound":"Tranilast","CAS":"53902-12-8","CAS.Checksum":true,"DTXSID":"DTXSID7023693","Formula":"C18H17NO5","All.Compound.Names":"Tranilast|N-(3',4'-dimethoxycinnamoyl)anthranilic acid|Dtxsid7023693|53902-12-8","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.648,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.8,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.024,"logWSol.Reference":"EPA-CCD-OPERA","MP":212,"MP.Reference":"EPA-CCD-OPERA","MW":327.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53902-12-8"}
{"Compound":"Tetra-aminopyrimidine sulfate","CAS":"5392-28-9","CAS.Checksum":true,"DTXSID":"DTXSID0037023","Formula":"C4H10N6O4S","All.Compound.Names":"Tetra-aminopyrimidine sulfate|2,4,5,6-pyrimidinetetramine sulfate (1:1)|Dtxsid0037023|5392-28-9","logHenry":-8.035,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7627,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.643,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.926,"logWSol.Reference":"EPA-CCD-OPERA","MP":152,"MP.Reference":"EPA-CCD-OPERA","MW":238.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5392-28-9"}
{"Compound":"3,7-dimethyl-2,6-octadienal","CAS":"5392-40-5","CAS.Checksum":true,"DTXSID":"DTXSID6024836","Formula":"C10H16O","All.Compound.Names":"3,7-dimethyl-2,6-octadienal|Dtxsid6024836","logHenry":-4.257,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.998,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.012,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.061,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.15,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5392-40-5"}
{"Compound":"(z)-11-hexadecenal","CAS":"53939-28-9","CAS.Checksum":true,"DTXSID":"DTXSID1032303","Formula":"C16H30O","All.Compound.Names":"(z)-11-hexadecenal|Dtxsid1032303","logHenry":-5.002,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.728,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.684,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.913,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.51,"MP.Reference":"EPA-CCD-OPERA","MW":238.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53939-28-9"}
{"Compound":"5-ethyl-5-methylhydantoin","CAS":"5394-36-5","CAS.Checksum":true,"DTXSID":"DTXSID9041368","Formula":"C6H10N2O2","All.Compound.Names":"5-ethyl-5-methylhydantoin|Dtxsid9041368|5394-36-5","logHenry":-7.463,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.02792,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.987,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8716,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.4,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5394-36-5"}
{"Compound":"3-((2-ethylhexyl)oxy)propylamine","CAS":"5397-31-9","CAS.Checksum":true,"DTXSID":"DTXSID1025304","Formula":"C11H25NO","All.Compound.Names":"3-((2-ethylhexyl)oxy)propylamine|Dtxsid1025304|5397-31-9","logHenry":-4.707,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.527,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.892,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.139,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.78,"MP.Reference":"EPA-CCD-OPERA","MW":187.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5397-31-9"}
{"Compound":"Cefaclor","CAS":"53994-73-3","CAS.Checksum":true,"DTXSID":"DTXSID3022748","Formula":"C15H14ClN3O4S","All.Compound.Names":"Cefaclor|53994-73-3|Dtxsid3022748","logHenry":-10.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8036,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.567,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.567,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.2,"MP.Reference":"EPA-CCD-OPERA","MW":367.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"53994-73-3"}
{"Compound":"Dl-tryptophan","CAS":"54-12-6","CAS.Checksum":true,"DTXSID":"DTXSID0021418","Formula":"C11H12N2O2","All.Compound.Names":"Dl-tryptophan|Dtxsid0021418|54-12-6","logHenry":-10.36,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.047,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.58,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.199,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.1,"MP.Reference":"EPA-CCD-OPERA","MW":204.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54-12-6"}
{"Compound":"Sodium salicylate","CAS":"54-21-7","CAS.Checksum":true,"DTXSID":"DTXSID5021708","Formula":"C7H5NaO3","All.Compound.Names":"Sodium salicylate|54-21-7|Dtxsid5021708","logHenry":-7.056,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.43,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.873,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9697,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.9,"MP.Reference":"EPA-CCD-OPERA","MW":160.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":1,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.9521,"Human.Foral.Reference":"Musther 2014","Rat.Foral":0.92,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"54-21-7"}
{"Compound":"(+)-gamma-tocopherol","CAS":"54-28-4","CAS.Checksum":true,"DTXSID":"DTXSID9049031","Formula":"C28H48O2","All.Compound.Names":"(+)-gamma-tocopherol|Dtxsid9049031|54-28-4","logHenry":-7.298,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.405,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9094,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.214,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.864,"MP.Reference":"EPA-CCD-OPERA","MW":416.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54-28-4"}
{"Compound":"Camylofin","CAS":"54-30-8","CAS.Checksum":true,"DTXSID":"DTXSID7046415","Formula":"C19H32N2O2","All.Compound.Names":"Camylofin|Dtxsid7046415|54-30-8","logHenry":-8.436,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.158,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.036,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.231,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.18,"MP.Reference":"EPA-CCD-OPERA","MW":320.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54-30-8"}
{"Compound":"Metyrapone","CAS":"54-36-4","CAS.Checksum":true,"DTXSID":"DTXSID1023314","Formula":"C14H14N2O","All.Compound.Names":"Metyrapone|Dtxsid1023314|54-36-4","logHenry":-7.993,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.538,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.846,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.603,"logWSol.Reference":"EPA-CCD-OPERA","MP":50.65,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54-36-4"}
{"Compound":"Idoxuridine","CAS":"54-42-2","CAS.Checksum":true,"DTXSID":"DTXSID2045238","Formula":"C9H11IN2O5","All.Compound.Names":"Idoxuridine|Dtxsid2045238|54-42-2","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9582,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.23,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.249,"logWSol.Reference":"EPA-CCD-OPERA","MP":262.5,"MP.Reference":"EPA-CCD-OPERA","MW":354.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54-42-2"}
{"Compound":"Thimerosal","CAS":"54-64-8","CAS.Checksum":true,"DTXSID":"DTXSID3025540","Formula":"C9H9HgNaO2S","All.Compound.Names":"Thimerosal","MW":404.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54-64-8"}
{"Compound":"Pronethalol","CAS":"54-80-8","CAS.Checksum":true,"DTXSID":"DTXSID8021193","Formula":"C15H19NO","All.Compound.Names":"Pronethalol|Dtxsid8021193|54-80-8","logHenry":-5.715,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.998,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.366,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.93,"logWSol.Reference":"EPA-CCD-OPERA","MP":108,"MP.Reference":"EPA-CCD-OPERA","MW":229.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54-80-8"}
{"Compound":"Sodium nicotinate","CAS":"54-86-4","CAS.Checksum":true,"DTXSID":"DTXSID4044955","Formula":"C6H4NNaO2","All.Compound.Names":"Sodium nicotinate|Dtxsid4044955|54-86-4","logHenry":-8.037,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.73,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.724,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8482,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.5,"MP.Reference":"EPA-CCD-OPERA","MW":145.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.73","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54-86-4"}
{"Compound":"Pipobroman","CAS":"54-91-1","CAS.Checksum":true,"DTXSID":"DTXSID7023485","Formula":"C10H16Br2N2O2","All.Compound.Names":"Pipobroman|Dtxsid7023485|54-91-1","logHenry":-8.302,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4225,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.441,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.875,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.1,"MP.Reference":"EPA-CCD-OPERA","MW":356.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54-91-1"}
{"Compound":"Pentylenetetrazol","CAS":"54-95-5","CAS.Checksum":true,"DTXSID":"DTXSID7041091","Formula":"C6H10N4","All.Compound.Names":"Pentylenetetrazol|Dtxsid7041091|54-95-5","logHenry":-5.046,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1421,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.336,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3773,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.53,"MP.Reference":"EPA-CCD-OPERA","MW":138.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54-95-5"}
{"Compound":"3,4-diaminopyridine","CAS":"54-96-6","CAS.Checksum":true,"DTXSID":"DTXSID6046715","Formula":"C5H7N3","All.Compound.Names":"3,4-diaminopyridine|Dtxsid6046715|54-96-6","logHenry":-7.575,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4697,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.158,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.04532,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.8,"MP.Reference":"EPA-CCD-OPERA","MW":109.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54-96-6"}
{"Compound":"Pentyl hexanoate","CAS":"540-07-8","CAS.Checksum":true,"DTXSID":"DTXSID0047581","Formula":"C11H22O2","All.Compound.Names":"Pentyl hexanoate|N-amyl caproate|Dtxsid0047581","logHenry":-3.721,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.242,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.581,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.796,"logWSol.Reference":"EPA-CCD-OPERA","MP":-54.3,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"540-07-8"}
{"Compound":"Pentyl butyrate","CAS":"540-18-1","CAS.Checksum":true,"DTXSID":"DTXSID4041604","Formula":"C9H18O2","All.Compound.Names":"Pentyl butyrate|N-amyl butyrate|Dtxsid4041604","logHenry":-3.259,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.28,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.172,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.794,"logWSol.Reference":"EPA-CCD-OPERA","MP":-76.33,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"540-18-1"}
{"Compound":"4-methylaniline hydrochloride","CAS":"540-23-8","CAS.Checksum":true,"DTXSID":"DTXSID2021365","Formula":"C7H10ClN","All.Compound.Names":"4-methylaniline hydrochloride|Dtxsid2021365|540-23-8","logHenry":-5.698,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.02,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.93,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.206,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.3,"MP.Reference":"EPA-CCD-OPERA","MW":143.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"540-23-8"}
{"Compound":"4-iodophenol","CAS":"540-38-5","CAS.Checksum":true,"DTXSID":"DTXSID4052186","Formula":"C6H5IO","All.Compound.Names":"4-iodophenol|Dtxsid4052186|540-38-5","logHenry":-6.647,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.91,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.659,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.864,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.12,"MP.Reference":"EPA-CCD-OPERA","MW":220,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"540-38-5"}
{"Compound":"2-bromo-1-ethanol","CAS":"540-51-2","CAS.Checksum":true,"DTXSID":"DTXSID8020200","Formula":"C2H5BrO","All.Compound.Names":"2-bromo-1-ethanol|Dtxsid8020200|540-51-2","logHenry":-5.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2301,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.028,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9022,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.85,"MP.Reference":"EPA-CCD-OPERA","MW":125,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"540-51-2"}
{"Compound":"(z,e)-1,2-dichloroethylene","CAS":"540-59-0","CAS.Checksum":true,"DTXSID":"DTXSID8024991","Formula":"C2H2Cl2","All.Compound.Names":"(z,e)-1,2-dichloroethylene|1,2-dichloroethylene|Dtxsid8024991","logHenry":-2.249,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.86,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.837,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.329,"logWSol.Reference":"EPA-CCD-OPERA","MP":-62.48,"MP.Reference":"EPA-CCD-OPERA","MW":96.94,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"540-59-0"}
{"Compound":"Sodium thiocyanate","CAS":"540-72-7","CAS.Checksum":true,"DTXSID":"DTXSID4021343","Formula":"CNNaS","All.Compound.Names":"Sodium thiocyanate|Dtxsid4021343|540-72-7","logHenry":-6.038,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.319,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.515,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.142,"logWSol.Reference":"EPA-CCD-OPERA","MP":286.7,"MP.Reference":"EPA-CCD-OPERA","MW":81.07,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"540-72-7"}
{"Compound":"2,2,4-trimethylpentane","CAS":"540-84-1","CAS.Checksum":true,"DTXSID":"DTXSID7024370","Formula":"C8H18","All.Compound.Names":"2,2,4-trimethylpentane|Dtxsid7024370","logHenry":-0.4198,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.849,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6324,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.696,"logWSol.Reference":"EPA-CCD-OPERA","MP":-106.8,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"540-84-1"}
{"Compound":"Tert-butyl acetate","CAS":"540-88-5","CAS.Checksum":true,"DTXSID":"DTXSID1022055","Formula":"C6H12O2","All.Compound.Names":"Tert-butyl acetate|Dtxsid1022055","logHenry":-3.51,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.758,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.331,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.146,"logWSol.Reference":"EPA-CCD-OPERA","MP":-92.41,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"540-88-5"}
{"Compound":"5-nitroindazole","CAS":"5401-94-5","CAS.Checksum":true,"DTXSID":"DTXSID5049316","Formula":"C7H5N3O2","All.Compound.Names":"5-nitroindazole|Dtxsid5049316|5401-94-5","logHenry":-8.416,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.029,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.425,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.658,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.6,"MP.Reference":"EPA-CCD-OPERA","MW":163.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5401-94-5"}
{"Compound":"Desogestrel","CAS":"54024-22-5","CAS.Checksum":true,"DTXSID":"DTXSID6022898","Formula":"C22H30O","All.Compound.Names":"Desogestrel|54024-22-5|Dtxsid6022898","logHenry":-7.017,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.019,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.457,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.263,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.5,"MP.Reference":"EPA-CCD-OPERA","MW":310.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.05,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"54024-22-5"}
{"Compound":"Albendazole oxide","CAS":"54029-12-8","CAS.Checksum":true,"DTXSID":"DTXSID4057768","Formula":"C12H15N3O3S","All.Compound.Names":"Albendazole oxide|Dtxsid4057768|54029-12-8","logHenry":-8.946,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.268,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.205,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.605,"logWSol.Reference":"EPA-CCD-OPERA","MP":234.7,"MP.Reference":"EPA-CCD-OPERA","MW":281.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54029-12-8"}
{"Compound":"2-nitro-4-thiocyanoaniline","CAS":"54029-45-7","CAS.Checksum":true,"DTXSID":"DTXSID9037038","Formula":"C7H5N3O2S","All.Compound.Names":"2-nitro-4-thiocyanoaniline|Dtxsid9037038|54029-45-7","logHenry":-7.699,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5263,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.474,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.024,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.1,"MP.Reference":"EPA-CCD-OPERA","MW":195.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-1.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54029-45-7"}
{"Compound":"Ethyl 3-hydroxybutyrate","CAS":"5405-41-4","CAS.Checksum":true,"DTXSID":"DTXSID6025305","Formula":"C6H12O3","All.Compound.Names":"Ethyl 3-hydroxybutyrate|Dtxsid6025305|5405-41-4","logHenry":-6.086,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3415,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.572,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3729,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.99,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5405-41-4"}
{"Compound":"Dimethylaminopropyl chloride hydrochloride","CAS":"5407-04-5","CAS.Checksum":true,"DTXSID":"DTXSID5022227","Formula":"C5H13Cl2N","All.Compound.Names":"Dimethylaminopropyl chloride hydrochloride|Dtxsid5022227|5407-04-5","logHenry":-4.852,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.765,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.162,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.203,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.7,"MP.Reference":"EPA-CCD-OPERA","MW":158.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5407-04-5"}
{"Compound":"Cyclobutyl phenyl ketone","CAS":"5407-98-7","CAS.Checksum":true,"DTXSID":"DTXSID1048201","Formula":"C11H12O","All.Compound.Names":"Cyclobutyl phenyl ketone|Dtxsid1048201","logHenry":-5.059,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.769,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.996,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.035,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.5,"MP.Reference":"EPA-CCD-OPERA","MW":160.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5407-98-7"}
{"Compound":"Decamethonium bromide","CAS":"541-22-0","CAS.Checksum":true,"DTXSID":"DTXSID2022886","Formula":"C16H38Br2N2","All.Compound.Names":"Decamethonium bromide|1,10-decanediaminium, n,n,n,n',n',n'-hexamethyl-, dibromide|Dtxsid2022886|541-22-0","logHenry":-3.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.568,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.444,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.107,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.5,"MP.Reference":"EPA-CCD-OPERA","MW":418.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"541-22-0"}
{"Compound":"Ethyl chloroformate","CAS":"541-41-3","CAS.Checksum":true,"DTXSID":"DTXSID1027186","Formula":"C3H5ClO2","All.Compound.Names":"Ethyl chloroformate|Dtxsid1027186","logHenry":-3.795,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.07673,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.047,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6543,"logWSol.Reference":"EPA-CCD-OPERA","MP":-76.98,"MP.Reference":"EPA-CCD-OPERA","MW":108.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"541-41-3"}
{"Compound":"3,3-dimethylacrylic acid","CAS":"541-47-9","CAS.Checksum":true,"DTXSID":"DTXSID2047145","Formula":"C5H8O2","All.Compound.Names":"3,3-dimethylacrylic acid|Dtxsid2047145|541-47-9","logHenry":-6.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8968,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.344,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.03783,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.82,"MP.Reference":"EPA-CCD-OPERA","MW":100.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"541-47-9"}
{"Compound":"2,4-dithiobiuret","CAS":"541-53-7","CAS.Checksum":true,"DTXSID":"DTXSID2034968","Formula":"C2H5N3S2","All.Compound.Names":"2,4-dithiobiuret|Dtxsid2034968|541-53-7","logHenry":-8.481,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.299,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.558,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.701,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.5,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"541-53-7"}
{"Compound":"Maleimide","CAS":"541-59-3","CAS.Checksum":true,"DTXSID":"DTXSID3049417","Formula":"C4H3NO2","All.Compound.Names":"Maleimide|Dtxsid3049417|541-59-3","logHenry":-7.069,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2902,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.851,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7774,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.06,"MP.Reference":"EPA-CCD-OPERA","MW":97.07,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"541-59-3"}
{"Compound":"1,3-benzenediamine dihydrochloride","CAS":"541-69-5","CAS.Checksum":true,"DTXSID":"DTXSID4021139","Formula":"C6H10Cl2N2","All.Compound.Names":"1,3-benzenediamine dihydrochloride|Dtxsid4021139|541-69-5","logHenry":-7.256,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.118,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.761,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3171,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.5,"MP.Reference":"EPA-CCD-OPERA","MW":181.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"541-69-5"}
{"Compound":"Carbocloral","CAS":"541-79-7","CAS.Checksum":true,"DTXSID":"DTXSID9046233","Formula":"C5H8Cl3NO3","All.Compound.Names":"Carbocloral|Dtxsid9046233|541-79-7","logHenry":-8.953,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.838,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.092,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6457,"logWSol.Reference":"EPA-CCD-OPERA","MP":115,"MP.Reference":"EPA-CCD-OPERA","MW":236.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"541-79-7"}
{"Compound":"5-methyl-3-heptanone","CAS":"541-85-5","CAS.Checksum":true,"DTXSID":"DTXSID9047047","Formula":"C8H16O","All.Compound.Names":"5-methyl-3-heptanone|Dtxsid9047047","logHenry":-3.868,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.415,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.537,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.644,"logWSol.Reference":"EPA-CCD-OPERA","MP":-32.45,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"541-85-5"}
{"Compound":"2-dodecylisoquinolinium tosylate","CAS":"5412-37-3","CAS.Checksum":true,"DTXSID":"DTXSID0046858","Formula":"C28H39NO3S","All.Compound.Names":"2-dodecylisoquinolinium tosylate|Dtxsid0046858|5412-37-3","logHenry":-6.202,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8157,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.01,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.157,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.4,"MP.Reference":"EPA-CCD-OPERA","MW":469.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5412-37-3"}
{"Compound":"Flecainide acetate","CAS":"54143-56-5","CAS.Checksum":true,"DTXSID":"DTXSID8020626","Formula":"C19H24F6N2O5","All.Compound.Names":"Flecainide acetate|Dtxsid8020626|54143-56-5","logHenry":-8.065,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.103,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.057,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.439,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.4,"MP.Reference":"EPA-CCD-OPERA","MW":474.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.52","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54143-56-5"}
{"Compound":"2,4-dimethoxyaniline hydrochloride","CAS":"54150-69-5","CAS.Checksum":true,"DTXSID":"DTXSID1020483","Formula":"C8H12ClNO2","All.Compound.Names":"2,4-dimethoxyaniline hydrochloride|Dtxsid1020483|54150-69-5","logHenry":-6.575,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8241,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.32,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.443,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.2,"MP.Reference":"EPA-CCD-OPERA","MW":189.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54150-69-5"}
{"Compound":"Sucrose octasulfate-aluminum complex","CAS":"54182-58-0","CAS.Checksum":true,"DTXSID":"DTXSID1048966","Formula":"C12H46Al16O67S8","All.Compound.Names":"Sucrose octasulfate-aluminum complex","MW":1951,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54182-58-0"}
{"Compound":"Metralindole","CAS":"54188-38-4","CAS.Checksum":true,"DTXSID":"DTXSID0045705","Formula":"C15H17N3O","All.Compound.Names":"Metralindole|Dtxsid0045705|54188-38-4","logHenry":-8.357,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.632,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.172,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.679,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.8,"MP.Reference":"EPA-CCD-OPERA","MW":255.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54188-38-4"}
{"Compound":"Triisopropyl orthoborate","CAS":"5419-55-6","CAS.Checksum":true,"DTXSID":"DTXSID7027598","Formula":"C9H21BO3","All.Compound.Names":"Triisopropyl orthoborate|Dtxsid7027598","logHenry":-4.412,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.739,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.734,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.572,"logWSol.Reference":"EPA-CCD-OPERA","MP":-82.77,"MP.Reference":"EPA-CCD-OPERA","MW":188.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5419-55-6"}
{"Compound":"6-methyl-1,3,5-triazine-2,4-diamine","CAS":"542-02-9","CAS.Checksum":true,"DTXSID":"DTXSID5029186","Formula":"C4H7N5","All.Compound.Names":"6-methyl-1,3,5-triazine-2,4-diamine|Dtxsid5029186|Acetoguanamine|542-02-9","logHenry":-6.953,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2637,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.208,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.589,"logWSol.Reference":"EPA-CCD-OPERA","MP":229.7,"MP.Reference":"EPA-CCD-OPERA","MW":125.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"542-02-9"}
{"Compound":"1,1-ethanediol diacetate","CAS":"542-10-9","CAS.Checksum":true,"DTXSID":"DTXSID1027188","Formula":"C6H10O4","All.Compound.Names":"1,1-ethanediol diacetate|Dtxsid1027188","logHenry":-5.36,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6352,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.845,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5835,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.82,"MP.Reference":"EPA-CCD-OPERA","MW":146.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"542-10-9"}
{"Compound":"Anilinium nitrate","CAS":"542-15-4","CAS.Checksum":true,"DTXSID":"DTXSID9049083","Formula":"C6H8N2O3","All.Compound.Names":"Anilinium nitrate|Dtxsid9049083|542-15-4","logHenry":-5.695,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.395,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.541,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4138,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.9,"MP.Reference":"EPA-CCD-OPERA","MW":156.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"542-15-4"}
{"Compound":"Tetrahydro-2h-pyran-2-one","CAS":"542-28-9","CAS.Checksum":true,"DTXSID":"DTXSID6044438","Formula":"C5H8O2","All.Compound.Names":"Tetrahydro-2h-pyran-2-one|Dtxsid6044438","logHenry":-7.535,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.349,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.074,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.06772,"logWSol.Reference":"EPA-CCD-OPERA","MP":-12.22,"MP.Reference":"EPA-CCD-OPERA","MW":100.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"542-28-9"}
{"Compound":"Isobutyl nitrite","CAS":"542-56-3","CAS.Checksum":true,"DTXSID":"DTXSID3020750","Formula":"C4H9NO2","All.Compound.Names":"Isobutyl nitrite|Dtxsid3020750|542-56-3","logHenry":-5.114,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.449,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.256,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.006,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.02,"MP.Reference":"EPA-CCD-OPERA","MW":103.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"542-56-3"}
{"Compound":"1,3-dichloropropene","CAS":"542-75-6","CAS.Checksum":true,"DTXSID":"DTXSID1022057","Formula":"C3H4Cl2","All.Compound.Names":"1,3-dichloropropene|Dtxsid1022057","logHenry":-2.626,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.04,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.062,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.747,"logWSol.Reference":"EPA-CCD-OPERA","MP":-49.85,"MP.Reference":"EPA-CCD-OPERA","MW":111,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"542-75-6"}
{"Compound":"3-chloropropionitrile","CAS":"542-76-7","CAS.Checksum":true,"DTXSID":"DTXSID4030336","Formula":"C3H4ClN","All.Compound.Names":"3-chloropropionitrile|Dtxsid4030336","logHenry":-4.331,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1809,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.91,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2892,"logWSol.Reference":"EPA-CCD-OPERA","MP":-50.96,"MP.Reference":"EPA-CCD-OPERA","MW":89.52,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"542-76-7"}
{"Compound":"Bis(chloromethyl) ether","CAS":"542-88-1","CAS.Checksum":true,"DTXSID":"DTXSID8020173","Formula":"C2H4Cl2O","All.Compound.Names":"Bis(chloromethyl) ether|Dtxsid8020173","logHenry":-3.813,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8392,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.386,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7138,"logWSol.Reference":"EPA-CCD-OPERA","MP":-41.54,"MP.Reference":"EPA-CCD-OPERA","MW":115,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"542-88-1"}
{"Compound":"1,3-cyclopentadiene","CAS":"542-92-7","CAS.Checksum":true,"DTXSID":"DTXSID0027191","Formula":"C5H6","All.Compound.Names":"1,3-cyclopentadiene|Dtxsid0027191","logHenry":-2.338,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.395,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.4183,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.568,"logWSol.Reference":"EPA-CCD-OPERA","MP":-84.98,"MP.Reference":"EPA-CCD-OPERA","MW":66.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"542-92-7"}
{"Compound":"Acetic acid, mercapto-, monoammonium salt","CAS":"5421-46-5","CAS.Checksum":true,"DTXSID":"DTXSID2027599","Formula":"C2H7NO2S","All.Compound.Names":"Acetic acid, mercapto-, monoammonium salt|Ammonium thioglycolate|Dtxsid2027599|5421-46-5","logHenry":-8.519,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1196,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.921,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.035,"logWSol.Reference":"EPA-CCD-OPERA","MP":10.03,"MP.Reference":"EPA-CCD-OPERA","MW":109.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5421-46-5"}
{"Compound":"Cimaterol","CAS":"54239-37-1","CAS.Checksum":true,"DTXSID":"DTXSID2045652","Formula":"C12H17N3O","All.Compound.Names":"Cimaterol|Dtxsid2045652|54239-37-1","logHenry":-9.571,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.04001,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.567,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.234,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.3,"MP.Reference":"EPA-CCD-OPERA","MW":219.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54239-37-1"}
{"Compound":"Aminoquinuride dihydrochloride","CAS":"5424-37-3","CAS.Checksum":true,"DTXSID":"DTXSID1045083","Formula":"C21H22Cl2N6O","All.Compound.Names":"Aminoquinuride dihydrochloride|Dtxsid1045083|5424-37-3","logHenry":-9.595,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.639,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.837,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.996,"logWSol.Reference":"EPA-CCD-OPERA","MP":244.9,"MP.Reference":"EPA-CCD-OPERA","MW":445.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5424-37-3"}
{"Compound":"Mabuterol hydrochloride","CAS":"54240-36-7","CAS.Checksum":true,"DTXSID":"DTXSID3046798","Formula":"C13H19Cl2F3N2O","All.Compound.Names":"Mabuterol hydrochloride|Dtxsid3046798|54240-36-7","logHenry":-9.798,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8369,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.489,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.521,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.9,"MP.Reference":"EPA-CCD-OPERA","MW":347.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54240-36-7"}
{"Compound":"Heptaminol hydrochloride","CAS":"543-15-7","CAS.Checksum":true,"DTXSID":"DTXSID9045891","Formula":"C8H20ClNO","All.Compound.Names":"Heptaminol hydrochloride|Dtxsid9045891|543-15-7","logHenry":-8.527,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.093,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.686,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.0957,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.8,"MP.Reference":"EPA-CCD-OPERA","MW":181.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"543-15-7"}
{"Compound":"2-heptanol","CAS":"543-49-7","CAS.Checksum":true,"DTXSID":"DTXSID1047158","Formula":"C7H16O","All.Compound.Names":"2-heptanol|Dtxsid1047158|543-49-7","logHenry":-4.534,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.31,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.587,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.547,"logWSol.Reference":"EPA-CCD-OPERA","MP":-63.18,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"543-49-7"}
{"Compound":"2-amino-6-methylheptane","CAS":"543-82-8","CAS.Checksum":true,"DTXSID":"DTXSID8046535","Formula":"C8H19N","All.Compound.Names":"2-amino-6-methylheptane|Dtxsid8046535|543-82-8","logHenry":-4.412,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.472,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.175,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.133,"logWSol.Reference":"EPA-CCD-OPERA","MP":-28.54,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"543-82-8"}
{"Compound":"Amsacrine hydrochloride","CAS":"54301-15-4","CAS.Checksum":true,"DTXSID":"DTXSID2037186","Formula":"C21H20ClN3O3S","All.Compound.Names":"Amsacrine hydrochloride|4'-(acridin-9-ylamino)-3'-methoxymethanesulfonanilide hydrochloride|Dtxsid2037186|54301-15-4","logHenry":-9.588,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9634,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.554,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.223,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.5,"MP.Reference":"EPA-CCD-OPERA","MW":429.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54301-15-4"}
{"Compound":"3,5,5-trimethylhexanal","CAS":"5435-64-3","CAS.Checksum":true,"DTXSID":"DTXSID6047107","Formula":"C9H18O","All.Compound.Names":"3,5,5-trimethylhexanal|Dtxsid6047107","logHenry":-3.522,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.291,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.124,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.89,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.4,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5435-64-3"}
{"Compound":"Etretinate","CAS":"54350-48-0","CAS.Checksum":true,"DTXSID":"DTXSID0023036","Formula":"C23H30O3","All.Compound.Names":"Etretinate|54350-48-0|Dtxsid0023036","logHenry":-6.868,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.179,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.273,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.124,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.9,"MP.Reference":"EPA-CCD-OPERA","MW":354.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.4,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"54350-48-0"}
{"Compound":"2,2'4,4'-tetrabromodiphenyl ether","CAS":"5436-43-1","CAS.Checksum":true,"DTXSID":"DTXSID3030056","Formula":"C12H6Br4O","All.Compound.Names":"2,2'4,4'-tetrabromodiphenyl ether|2,2',4,4'-tetrabromodiphenyl ether|Dtxsid3030056","logHenry":-3.433,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.807,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.722,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.912,"logWSol.Reference":"EPA-CCD-OPERA","MP":182,"MP.Reference":"EPA-CCD-OPERA","MW":485.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5436-43-1"}
{"Compound":"3-methyl-2-nitrobenzoic acid","CAS":"5437-38-7","CAS.Checksum":true,"DTXSID":"DTXSID6025640","Formula":"C8H7NO4","All.Compound.Names":"3-methyl-2-nitrobenzoic acid|Dtxsid6025640|5437-38-7","logHenry":-8.617,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.856,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.875,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.043,"logWSol.Reference":"EPA-CCD-OPERA","MP":152,"MP.Reference":"EPA-CCD-OPERA","MW":181.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5437-38-7"}
{"Compound":"Benzyl bromoacetate","CAS":"5437-45-6","CAS.Checksum":true,"DTXSID":"DTXSID4040343","Formula":"C9H9BrO2","All.Compound.Names":"Benzyl bromoacetate|Dtxsid4040343","logHenry":-6.617,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.491,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.343,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.711,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.04,"MP.Reference":"EPA-CCD-OPERA","MW":229.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5437-45-6"}
{"Compound":"N-(4-methoxyphenyl)-3-oxobutanamide","CAS":"5437-98-9","CAS.Checksum":true,"DTXSID":"DTXSID7044689","Formula":"C11H13NO3","All.Compound.Names":"N-(4-methoxyphenyl)-3-oxobutanamide|Dtxsid7044689|5437-98-9","logHenry":-10.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.235,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.472,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.134,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.62,"MP.Reference":"EPA-CCD-OPERA","MW":207.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5437-98-9"}
{"Compound":"3-(trifluoromethyl)-o-toluidine","CAS":"54396-44-0","CAS.Checksum":true,"DTXSID":"DTXSID9057769","Formula":"C8H8F3N","All.Compound.Names":"3-(trifluoromethyl)-o-toluidine|Dtxsid9057769|54396-44-0","logHenry":-4.929,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.492,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.251,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.642,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.67,"MP.Reference":"EPA-CCD-OPERA","MW":175.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54396-44-0"}
{"Compound":"Isoamyl ether","CAS":"544-01-4","CAS.Checksum":true,"DTXSID":"DTXSID8052198","Formula":"C10H22O","All.Compound.Names":"Isoamyl ether|Di-iso-amyl ether|Dtxsid8052198","logHenry":-2.841,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.25,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.05979,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.897,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.74,"MP.Reference":"EPA-CCD-OPERA","MW":158.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"544-01-4"}
{"Compound":"N-butylnitrite","CAS":"544-16-1","CAS.Checksum":true,"DTXSID":"DTXSID8049418","Formula":"C4H9NO2","All.Compound.Names":"N-butylnitrite|Dtxsid8049418|544-16-1","logHenry":-5.102,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.455,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.268,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.024,"logWSol.Reference":"EPA-CCD-OPERA","MP":23.84,"MP.Reference":"EPA-CCD-OPERA","MW":103.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"544-16-1"}
{"Compound":"Palmitoylethanolamide","CAS":"544-31-0","CAS.Checksum":true,"DTXSID":"DTXSID4042254","Formula":"C18H37NO2","All.Compound.Names":"Palmitoylethanolamide|N-(2-hydroxyethyl)palmitamide|Dtxsid4042254","logHenry":-8.24,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.538,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.755,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.921,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.51,"MP.Reference":"EPA-CCD-OPERA","MW":299.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"544-31-0"}
{"Compound":"Dibutyl sulfide","CAS":"544-40-1","CAS.Checksum":true,"DTXSID":"DTXSID6022058","Formula":"C8H18S","All.Compound.Names":"Dibutyl sulfide|Dtxsid6022058","logHenry":-2.132,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.807,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.0311,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.295,"logWSol.Reference":"EPA-CCD-OPERA","MP":-79.8,"MP.Reference":"EPA-CCD-OPERA","MW":146.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"544-40-1"}
{"Compound":"3-(octadecyloxy)-1,2-propanediol","CAS":"544-62-7","CAS.Checksum":true,"DTXSID":"DTXSID0047799","Formula":"C21H44O3","All.Compound.Names":"3-(octadecyloxy)-1,2-propanediol|Dtxsid0047799|544-62-7","logHenry":-7.416,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.625,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.738,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.833,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.44,"MP.Reference":"EPA-CCD-OPERA","MW":344.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"544-62-7"}
{"Compound":"Tetradecanoic acid","CAS":"544-63-8","CAS.Checksum":true,"DTXSID":"DTXSID6021666","Formula":"C14H28O2","All.Compound.Names":"Tetradecanoic acid|Dtxsid6021666|544-63-8","logHenry":-6.624,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.11,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.426,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.327,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.78,"MP.Reference":"EPA-CCD-OPERA","MW":228.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"544-63-8"}
{"Compound":"Hexadecane","CAS":"544-76-3","CAS.Checksum":true,"DTXSID":"DTXSID0027195","Formula":"C16H34","All.Compound.Names":"Hexadecane|Dtxsid0027195","logHenry":-2.885,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.08,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5679,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.4,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.92,"MP.Reference":"EPA-CCD-OPERA","MW":226.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"544-76-3"}
{"Compound":"1-iodohexadecane","CAS":"544-77-4","CAS.Checksum":true,"DTXSID":"DTXSID0049317","Formula":"C16H33I","All.Compound.Names":"1-iodohexadecane|Dtxsid0049317","logHenry":-4.484,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.086,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5606,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.247,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.19,"MP.Reference":"EPA-CCD-OPERA","MW":352.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"544-77-4"}
{"Compound":"Copper cyanide","CAS":"544-92-3","CAS.Checksum":true,"DTXSID":"DTXSID7023986","Formula":"CCuN","All.Compound.Names":"Copper cyanide|Dtxsid7023986","logHenry":-3.874,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.604,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.041,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.305,"logWSol.Reference":"EPA-CCD-OPERA","MP":232.5,"MP.Reference":"EPA-CCD-OPERA","MW":89.56,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"544-92-3"}
{"Compound":"Butamisole","CAS":"54400-59-8","CAS.Checksum":true,"DTXSID":"DTXSID8057770","Formula":"C15H19N3OS","All.Compound.Names":"Butamisole|Dtxsid8057770|54400-59-8","logHenry":-8.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.326,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.699,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.076,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.1,"MP.Reference":"EPA-CCD-OPERA","MW":289.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54400-59-8"}
{"Compound":"2-ethylhexyl benzoate","CAS":"5444-75-7","CAS.Checksum":true,"DTXSID":"DTXSID4041654","Formula":"C15H22O2","All.Compound.Names":"2-ethylhexyl benzoate|Dtxsid4041654","logHenry":-5.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.349,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.164,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.473,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.14,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5444-75-7"}
{"Compound":"1-(2,3,8,8-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone","CAS":"54464-57-2","CAS.Checksum":true,"DTXSID":"DTXSID7031290","Formula":"C16H26O","All.Compound.Names":"1-(2,3,8,8-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone|Isocyclemone e|Dtxsid7031290","logHenry":-3.711,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.977,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.456,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.244,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.349,"MP.Reference":"EPA-CCD-OPERA","MW":234.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54464-57-2"}
{"Compound":"Trichloroacetonitrile","CAS":"545-06-2","CAS.Checksum":true,"DTXSID":"DTXSID0021672","Formula":"C2Cl3N","All.Compound.Names":"Trichloroacetonitrile|Dtxsid0021672","logHenry":-3.857,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.09,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.086,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5072,"logWSol.Reference":"EPA-CCD-OPERA","MP":-41.91,"MP.Reference":"EPA-CCD-OPERA","MW":144.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"545-06-2"}
{"Compound":"Etofylline clofibrate","CAS":"54504-70-0","CAS.Checksum":true,"DTXSID":"DTXSID0023032","Formula":"C19H21ClN4O5","All.Compound.Names":"Etofylline clofibrate|Dtxsid0023032|54504-70-0","logHenry":-7.591,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.893,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.786,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.589,"logWSol.Reference":"EPA-CCD-OPERA","MP":115,"MP.Reference":"EPA-CCD-OPERA","MW":420.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54504-70-0"}
{"Compound":"Aminolevulinic acid hydrochloride","CAS":"5451-09-2","CAS.Checksum":true,"DTXSID":"DTXSID5045914","Formula":"C5H10ClNO3","All.Compound.Names":"Aminolevulinic acid hydrochloride|Dtxsid5045914|5451-09-2","logHenry":-9.44,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.855,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.448,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.05133,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.3,"MP.Reference":"EPA-CCD-OPERA","MW":167.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.52","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5451-09-2"}
{"Compound":"Nicardipine hydrochloride","CAS":"54527-84-3","CAS.Checksum":true,"DTXSID":"DTXSID9046992","Formula":"C26H30ClN3O6","All.Compound.Names":"Nicardipine hydrochloride|Dtxsid9046992|54527-84-3","logHenry":-7.496,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8843,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.8,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.639,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.84,"MP.Reference":"EPA-CCD-OPERA","MW":516,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54527-84-3"}
{"Compound":"Nizofenone","CAS":"54533-86-7","CAS.Checksum":true,"DTXSID":"DTXSID5048637","Formula":"C25H25ClN4O7","All.Compound.Names":"Nizofenone|Nizofenone fumarate|Dtxsid5048637|54533-86-7","logHenry":-7.445,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6814,"logP.Reference":"EPA-CCD-OPERA","logPwa":11,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.696,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.1,"MP.Reference":"EPA-CCD-OPERA","MW":529,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54533-86-7"}
{"Compound":"Propiverine hydrochloride","CAS":"54556-98-8","CAS.Checksum":true,"DTXSID":"DTXSID1046847","Formula":"C23H30ClNO3","All.Compound.Names":"Propiverine hydrochloride|Dtxsid1046847|54556-98-8","logHenry":-6.248,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.867,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.715,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.946,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.9,"MP.Reference":"EPA-CCD-OPERA","MW":404,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54556-98-8"}
{"Compound":"1-alpha-hydroxyergocalciferol","CAS":"54573-75-0","CAS.Checksum":true,"DTXSID":"DTXSID1034214","Formula":"C28H44O2","All.Compound.Names":"1-alpha-hydroxyergocalciferol|1-hydroxyvitamin d2|Dtxsid1034214|54573-75-0","logHenry":-7.638,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.163,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.367,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.459,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.5,"MP.Reference":"EPA-CCD-OPERA","MW":412.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54573-75-0"}
{"Compound":"2-[4-(dibutylamino)-2-hydroxybenzoyl]benzoic acid","CAS":"54574-82-2","CAS.Checksum":true,"DTXSID":"DTXSID5029762","Formula":"C22H27NO4","All.Compound.Names":"2-[4-(dibutylamino)-2-hydroxybenzoyl]benzoic acid|Dtxsid5029762|54574-82-2","logHenry":-8.6,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.735,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.78,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.176,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.2,"MP.Reference":"EPA-CCD-OPERA","MW":369.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54574-82-2"}
{"Compound":"Butyl cyanoacetate","CAS":"5459-58-5","CAS.Checksum":true,"DTXSID":"DTXSID1044439","Formula":"C7H11NO2","All.Compound.Names":"Butyl cyanoacetate|Dtxsid1044439","logHenry":-6.22,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3102,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.123,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6741,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.28,"MP.Reference":"EPA-CCD-OPERA","MW":141.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5459-58-5"}
{"Compound":"Conessine","CAS":"546-06-5","CAS.Checksum":true,"DTXSID":"DTXSID6046000","Formula":"C24H40N2","All.Compound.Names":"Conessine|Dtxsid6046000|546-06-5","logHenry":-6.605,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.841,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.494,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.137,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.4,"MP.Reference":"EPA-CCD-OPERA","MW":356.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"546-06-5"}
{"Compound":"Pempidine d-tartaric acid","CAS":"546-48-5","CAS.Checksum":true,"DTXSID":"DTXSID3045229","Formula":"C14H27NO6","All.Compound.Names":"Pempidine d-tartaric acid|Dtxsid3045229|546-48-5","logHenry":-3.628,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7874,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.661,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.769,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.2,"MP.Reference":"EPA-CCD-OPERA","MW":305.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"546-48-5"}
{"Compound":"Ethyl 4-nitrophenyl ethylphosphonate","CAS":"546-71-4","CAS.Checksum":true,"DTXSID":"DTXSID5048843","Formula":"C10H14NO5P","All.Compound.Names":"Ethyl 4-nitrophenyl ethylphosphonate|Dtxsid5048843|546-71-4","logHenry":-6.525,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.149,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.485,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.961,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.49,"MP.Reference":"EPA-CCD-OPERA","MW":259.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"546-71-4"}
{"Compound":"Alpha-thujone","CAS":"546-80-5","CAS.Checksum":true,"DTXSID":"DTXSID3026148","Formula":"C10H16O","All.Compound.Names":"Alpha-thujone|Dtxsid3026148","logHenry":-4.042,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.824,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.003,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.048,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.64,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"546-80-5"}
{"Compound":"Acetohydroxamic acid","CAS":"546-88-3","CAS.Checksum":true,"DTXSID":"DTXSID7022546","Formula":"C2H5NO2","All.Compound.Names":"Acetohydroxamic acid|546-88-3|Dtxsid7022546","logHenry":-7.696,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.589,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.347,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.107,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.56,"MP.Reference":"EPA-CCD-OPERA","MW":75.07,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.55,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"546-88-3"}
{"Compound":"2,7-naphthalenedisulfonic acid, 4-amino-5-hydroxy-, monosodium salt","CAS":"5460-09-3","CAS.Checksum":true,"DTXSID":"DTXSID4027600","Formula":"C10H8NNaO7S2","All.Compound.Names":"2,7-naphthalenedisulfonic acid, 4-amino-5-hydroxy-, monosodium salt|4-amino-5-hydroxy-2,7-naphthalenedisulfonic acid monosodium salt|Dtxsid4027600|5460-09-3","logHenry":-9.265,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.104,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.5,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.197,"logWSol.Reference":"EPA-CCD-OPERA","MP":223.9,"MP.Reference":"EPA-CCD-OPERA","MW":341.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5460-09-3"}
{"Compound":"1-(2-methoxyphenyl)piperazine hydrochloride","CAS":"5464-78-8","CAS.Checksum":true,"DTXSID":"DTXSID5051440","Formula":"C11H17ClN2O","All.Compound.Names":"1-(2-methoxyphenyl)piperazine hydrochloride|Dtxsid5051440|5464-78-8","logHenry":-8.486,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9176,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.19,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.746,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.8,"MP.Reference":"EPA-CCD-OPERA","MW":228.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5464-78-8"}
{"Compound":"2-amino-4-methoxybenzothiazole","CAS":"5464-79-9","CAS.Checksum":true,"DTXSID":"DTXSID4024484","Formula":"C8H8N2OS","All.Compound.Names":"2-amino-4-methoxybenzothiazole|Dtxsid4024484|5464-79-9","logHenry":-6.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.585,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.599,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.419,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.9,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5464-79-9"}
{"Compound":"Dithiazanine chloride","CAS":"54646-38-7","CAS.Checksum":true,"DTXSID":"DTXSID8048731","Formula":"C23H23ClN2S2","All.Compound.Names":"Dithiazanine chloride|Dtxsid8048731|54646-38-7","logHenry":-7.199,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.141,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.54,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.5,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.2,"MP.Reference":"EPA-CCD-OPERA","MW":427,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54646-38-7"}
{"Compound":"2-ethylhexyl-4-methoxycinnamate","CAS":"5466-77-3","CAS.Checksum":true,"DTXSID":"DTXSID1025302","Formula":"C18H26O3","All.Compound.Names":"2-ethylhexyl-4-methoxycinnamate|Octinoxate|Dtxsid1025302","logHenry":-6.969,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.318,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.678,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.94,"MP.Reference":"EPA-CCD-OPERA","MW":290.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5466-77-3"}
{"Compound":"4-nitrophthalic anhydride","CAS":"5466-84-2","CAS.Checksum":true,"DTXSID":"DTXSID6025775","Formula":"C8H3NO5","All.Compound.Names":"4-nitrophthalic anhydride|Dtxsid6025775|5466-84-2","logHenry":-9.626,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.747,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.203,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.533,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.2,"MP.Reference":"EPA-CCD-OPERA","MW":193.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5466-84-2"}
{"Compound":"Fenamol","CAS":"5467-78-7","CAS.Checksum":true,"DTXSID":"DTXSID4048694","Formula":"C7H7N5","All.Compound.Names":"Fenamol|Dtxsid4048694|5467-78-7","logHenry":-8.335,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6906,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.117,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.277,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.9,"MP.Reference":"EPA-CCD-OPERA","MW":161.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5467-78-7"}
{"Compound":"Sulfacarbamide","CAS":"547-44-4","CAS.Checksum":true,"DTXSID":"DTXSID1046425","Formula":"C7H9N3O3S","All.Compound.Names":"Sulfacarbamide|Dtxsid1046425|547-44-4","logHenry":-9.784,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5052,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.036,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.11,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.7,"MP.Reference":"EPA-CCD-OPERA","MW":215.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"547-44-4"}
{"Compound":"Methyl 2-hydroxypropanoate","CAS":"547-64-8","CAS.Checksum":true,"DTXSID":"DTXSID0027197","Formula":"C4H8O3","All.Compound.Names":"Methyl 2-hydroxypropanoate|Dtxsid0027197|547-64-8","logHenry":-7.049,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4075,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.453,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9811,"logWSol.Reference":"EPA-CCD-OPERA","MP":-65.89,"MP.Reference":"EPA-CCD-OPERA","MW":104.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"547-64-8"}
{"Compound":"Loretin","CAS":"547-91-1","CAS.Checksum":true,"DTXSID":"DTXSID1046136","Formula":"C9H6INO4S","All.Compound.Names":"Loretin|Dtxsid1046136|547-91-1","logHenry":-10.46,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.175,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.918,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.505,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.1,"MP.Reference":"EPA-CCD-OPERA","MW":351.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"547-91-1"}
{"Compound":"Hydroxylamine hydrochloride","CAS":"5470-11-1","CAS.Checksum":true,"DTXSID":"DTXSID7025425","Formula":"ClH4NO","All.Compound.Names":"Hydroxylamine hydrochloride","MW":69.49,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5470-11-1"}
{"Compound":"Suloctdil","CAS":"54767-75-8","CAS.Checksum":true,"DTXSID":"DTXSID4045638","Formula":"C20H35NOS","All.Compound.Names":"Suloctdil|Suloctidil|Dtxsid4045638|54767-75-8","logHenry":-8.511,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.459,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.871,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.956,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.54,"MP.Reference":"EPA-CCD-OPERA","MW":337.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54767-75-8"}
{"Compound":"Ethyl biscoumacetate","CAS":"548-00-5","CAS.Checksum":true,"DTXSID":"DTXSID3057771","Formula":"C22H16O8","All.Compound.Names":"Ethyl biscoumacetate|Dtxsid3057771","logHenry":-9.409,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.932,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.75,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.584,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.1,"MP.Reference":"EPA-CCD-OPERA","MW":408.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"548-00-5"}
{"Compound":"Drofenine hydrochloride","CAS":"548-66-3","CAS.Checksum":true,"DTXSID":"DTXSID3045859","Formula":"C20H32ClNO2","All.Compound.Names":"Drofenine hydrochloride|Dtxsid3045859|548-66-3","logHenry":-6.978,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6203,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.572,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.92,"logWSol.Reference":"EPA-CCD-OPERA","MP":170,"MP.Reference":"EPA-CCD-OPERA","MW":353.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"548-66-3"}
{"Compound":"Droperidol","CAS":"548-73-2","CAS.Checksum":true,"DTXSID":"DTXSID6022973","Formula":"C22H22FN3O2","All.Compound.Names":"Droperidol|548-73-2|Dtxsid6022973","logHenry":-9.754,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.493,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.751,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.678,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.9,"MP.Reference":"EPA-CCD-OPERA","MW":379.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.75,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"548-73-2"}
{"Compound":"3,3',5,5'-tetramethylbenzidine","CAS":"54827-17-7","CAS.Checksum":true,"DTXSID":"DTXSID5026120","Formula":"C16H20N2","All.Compound.Names":"3,3',5,5'-tetramethylbenzidine|Dtxsid5026120|54827-17-7","logHenry":-6.969,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.638,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.531,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.319,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.1,"MP.Reference":"EPA-CCD-OPERA","MW":240.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54827-17-7"}
{"Compound":"Betahistine mesylate","CAS":"54856-23-4","CAS.Checksum":true,"DTXSID":"DTXSID1045588","Formula":"C9H16N2O3S","All.Compound.Names":"Betahistine mesylate|Dtxsid1045588|54856-23-4","logHenry":-6.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5166,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.165,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.06736,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.9,"MP.Reference":"EPA-CCD-OPERA","MW":232.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54856-23-4"}
{"Compound":"Buquinolate","CAS":"5486-03-3","CAS.Checksum":true,"DTXSID":"DTXSID1041689","Formula":"C20H27NO5","All.Compound.Names":"Buquinolate|Dtxsid1041689|5486-03-3","logHenry":-9.28,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.725,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.759,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.158,"logWSol.Reference":"EPA-CCD-OPERA","MP":289.2,"MP.Reference":"EPA-CCD-OPERA","MW":361.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.78","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5486-03-3"}
{"Compound":"Alloclamide","CAS":"5486-77-1","CAS.Checksum":true,"DTXSID":"DTXSID9048853","Formula":"C16H23ClN2O2","All.Compound.Names":"Alloclamide|Dtxsid9048853|5486-77-1","logHenry":-8.339,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.753,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.233,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.98,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.2,"MP.Reference":"EPA-CCD-OPERA","MW":310.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"12.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5486-77-1"}
{"Compound":"Amitriptyline hydrochloride","CAS":"549-18-8","CAS.Checksum":true,"DTXSID":"DTXSID9033187","Formula":"C20H24ClN","All.Compound.Names":"Amitriptyline hydrochloride|Dtxsid9033187|549-18-8","logHenry":-6.825,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.86,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.74,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.572,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.5,"MP.Reference":"EPA-CCD-OPERA","MW":313.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"549-18-8"}
{"Compound":"Octaverine","CAS":"549-68-8","CAS.Checksum":true,"DTXSID":"DTXSID1046213","Formula":"C23H27NO5","All.Compound.Names":"Octaverine|Dtxsid1046213|549-68-8","logHenry":-5.995,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.977,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.713,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.652,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.5,"MP.Reference":"EPA-CCD-OPERA","MW":397.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"549-68-8"}
{"Compound":"1,1'-[ethane-1,2-diylbis(oxy)]bis(3-methylbenzene)","CAS":"54914-85-1","CAS.Checksum":true,"DTXSID":"DTXSID6044690","Formula":"C16H18O2","All.Compound.Names":"1,1'-[ethane-1,2-diylbis(oxy)]bis(3-methylbenzene)|Dtxsid6044690","logHenry":-5.283,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.197,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.678,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.439,"logWSol.Reference":"EPA-CCD-OPERA","MP":117.5,"MP.Reference":"EPA-CCD-OPERA","MW":242.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54914-85-1"}
{"Compound":"1,2-cyclohexanedicarboxylic acid, bis(oxiranylmethyl) ester","CAS":"5493-45-8","CAS.Checksum":true,"DTXSID":"DTXSID7024875","Formula":"C14H20O6","All.Compound.Names":"1,2-cyclohexanedicarboxylic acid, bis(oxiranylmethyl) ester|Bis(2,3-epoxypropyl) cyclohexane-1,2-dicarboxylate|Dtxsid7024875","logHenry":-8.247,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.065,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.13,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.586,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.31,"MP.Reference":"EPA-CCD-OPERA","MW":284.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5493-45-8"}
{"Compound":"2-(propan-2-yl)-9h-thioxanthen-9-one","CAS":"5495-84-1","CAS.Checksum":true,"DTXSID":"DTXSID1044691","Formula":"C16H14OS","All.Compound.Names":"2-(propan-2-yl)-9h-thioxanthen-9-one|Dtxsid1044691|2-isopropylthioxanthone","logHenry":-7.648,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.252,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.585,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.888,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.6,"MP.Reference":"EPA-CCD-OPERA","MW":254.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5495-84-1"}
{"Compound":"1-aminocyclohexanecarbonitrile","CAS":"5496-10-6","CAS.Checksum":true,"DTXSID":"DTXSID6044488","Formula":"C7H12N2","All.Compound.Names":"1-aminocyclohexanecarbonitrile|Dtxsid6044488|5496-10-6","logHenry":-6.648,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.08146,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.276,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.846,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.32,"MP.Reference":"EPA-CCD-OPERA","MW":124.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5496-10-6"}
{"Compound":"Albendazole","CAS":"54965-21-8","CAS.Checksum":true,"DTXSID":"DTXSID0022563","Formula":"C12H15N3O2S","All.Compound.Names":"Albendazole|54965-21-8|Dtxsid0022563","logHenry":-8.143,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.068,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.279,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.676,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.1,"MP.Reference":"EPA-CCD-OPERA","MW":265.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"12.59","Human.Clint.Reference":"Dawson 2021","Human.Foral":0.05,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"54965-21-8"}
{"Compound":"1,4-dioxacyclohexadecane-5,16-dione","CAS":"54982-83-1","CAS.Checksum":true,"DTXSID":"DTXSID1044568","Formula":"C14H24O4","All.Compound.Names":"1,4-dioxacyclohexadecane-5,16-dione|Dtxsid1044568","logHenry":-7.669,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.436,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.016,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.604,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.1,"MP.Reference":"EPA-CCD-OPERA","MW":256.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54982-83-1"}
{"Compound":"3,3',5-triiodo-l-thyronine sodium salt","CAS":"55-06-1","CAS.Checksum":true,"DTXSID":"DTXSID8047505","Formula":"C15H11I3NNaO4","All.Compound.Names":"3,3',5-triiodo-l-thyronine sodium salt|3,5,3'-triiodo-l-thyronine monosodium salt|Dtxsid8047505|55-06-1","logHenry":-8.966,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.779,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.599,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.712,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.8,"MP.Reference":"EPA-CCD-OPERA","MW":673,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55-06-1"}
{"Compound":"Scopolamine hydrochloride","CAS":"55-16-3","CAS.Checksum":true,"DTXSID":"DTXSID6044692","Formula":"C17H22ClNO4","All.Compound.Names":"Scopolamine hydrochloride|Dtxsid6044692|55-16-3","logHenry":-9.308,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5555,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4901,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.9,"MP.Reference":"EPA-CCD-OPERA","MW":339.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55-16-3"}
{"Compound":"N-nitrosodiethylamine","CAS":"55-18-5","CAS.Checksum":true,"DTXSID":"DTXSID2021028","Formula":"C4H10N2O","All.Compound.Names":"N-nitrosodiethylamine|Dtxsid2021028|55-18-5","logHenry":-5.432,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4797,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.78,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01913,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.24,"MP.Reference":"EPA-CCD-OPERA","MW":102.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55-18-5"}
{"Compound":"Benzamide","CAS":"55-21-0","CAS.Checksum":true,"DTXSID":"DTXSID0021709","Formula":"C7H7NO","All.Compound.Names":"Benzamide|Dtxsid0021709|55-21-0","logHenry":-9.608,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6408,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.862,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9561,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.2,"MP.Reference":"EPA-CCD-OPERA","MW":121.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55-21-0"}
{"Compound":"Isonicotinic acid","CAS":"55-22-1","CAS.Checksum":true,"DTXSID":"DTXSID8020757","Formula":"C6H5NO2","All.Compound.Names":"Isonicotinic acid|Dtxsid8020757|55-22-1","logHenry":-8.039,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3185,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.676,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.357,"logWSol.Reference":"EPA-CCD-OPERA","MP":312.3,"MP.Reference":"EPA-CCD-OPERA","MW":123.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55-22-1"}
{"Compound":"Atropine sulfate anhydrous (2:1) salt","CAS":"55-48-1","CAS.Checksum":true,"DTXSID":"DTXSID3049419","Formula":"C34H48N2O10S","All.Compound.Names":"Atropine sulfate anhydrous (2:1) salt|Dtxsid3049419|55-48-1","logHenry":-9.386,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1678,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.79,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.13,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.6,"MP.Reference":"EPA-CCD-OPERA","MW":676.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55-48-1"}
{"Compound":"N-methyl-p-aminophenol sulfate","CAS":"55-55-0","CAS.Checksum":true,"DTXSID":"DTXSID6025565","Formula":"C14H20N2O6S","All.Compound.Names":"N-methyl-p-aminophenol sulfate|Phenol, p-(methylamino)-, sulfate (2:1) (salt)|Dtxsid6025565|55-55-0","logHenry":-7.041,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6316,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.042,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9221,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.9,"MP.Reference":"EPA-CCD-OPERA","MW":344.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55-55-0"}
{"Compound":"Chlorhexidine","CAS":"55-56-1","CAS.Checksum":true,"DTXSID":"DTXSID2033314","Formula":"C22H30Cl2N10","All.Compound.Names":"Chlorhexidine|1,6-di(n-p-chlorophenylbiguanidino)hexane|55-56-1|Dtxsid2033314","logHenry":-9.4,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.08122,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.515,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.8,"logWSol.Reference":"EPA-CCD-OPERA","MP":134,"MP.Reference":"EPA-CCD-OPERA","MW":505.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"55-56-1"}
{"Compound":"3'-methyl-4-dimethylaminoazobenzene","CAS":"55-80-1","CAS.Checksum":true,"DTXSID":"DTXSID8020838","Formula":"C15H17N3","All.Compound.Names":"3'-methyl-4-dimethylaminoazobenzene|3'-methyl-4-(dimethylamino)azobenzene|Dtxsid8020838|55-80-1","logHenry":-4.889,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.571,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.813,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.777,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.3,"MP.Reference":"EPA-CCD-OPERA","MW":239.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55-80-1"}
{"Compound":"Nitrogen mustard hydrochloride","CAS":"55-86-7","CAS.Checksum":true,"DTXSID":"DTXSID8025757","Formula":"C5H12Cl3N","All.Compound.Names":"Nitrogen mustard hydrochloride|Dtxsid8025757|55-86-7","logHenry":-3.891,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.853,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.819,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.115,"logWSol.Reference":"EPA-CCD-OPERA","MP":109,"MP.Reference":"EPA-CCD-OPERA","MW":192.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55-86-7"}
{"Compound":"Diisopropyl fluorophosphate","CAS":"55-91-4","CAS.Checksum":true,"DTXSID":"DTXSID1040667","Formula":"C6H14FO3P","All.Compound.Names":"Diisopropyl fluorophosphate|Dtxsid1040667","logHenry":-6.302,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.171,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.011,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.079,"logWSol.Reference":"EPA-CCD-OPERA","MP":-81.93,"MP.Reference":"EPA-CCD-OPERA","MW":184.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55-91-4"}
{"Compound":"N-methylphthalimide","CAS":"550-44-7","CAS.Checksum":true,"DTXSID":"DTXSID5027198","Formula":"C9H7NO2","All.Compound.Names":"N-methylphthalimide|Dtxsid5027198|550-44-7","logHenry":-6.468,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.309,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.016,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.019,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.91,"MP.Reference":"EPA-CCD-OPERA","MW":161.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"550-44-7"}
{"Compound":"Propoxycaine hydrochloride","CAS":"550-83-4","CAS.Checksum":true,"DTXSID":"DTXSID6045325","Formula":"C16H27ClN2O3","All.Compound.Names":"Propoxycaine hydrochloride|Dtxsid6045325|550-83-4","logHenry":-8.892,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6124,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.17,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.78,"logWSol.Reference":"EPA-CCD-OPERA","MP":149,"MP.Reference":"EPA-CCD-OPERA","MW":330.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"550-83-4"}
{"Compound":"Naphazoline hydrochloride","CAS":"550-99-2","CAS.Checksum":true,"DTXSID":"DTXSID7045788","Formula":"C14H15ClN2","All.Compound.Names":"Naphazoline hydrochloride|Dtxsid7045788|550-99-2","logHenry":-7.871,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7309,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.952,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.155,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.8,"MP.Reference":"EPA-CCD-OPERA","MW":246.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"550-99-2"}
{"Compound":"Dexchlorpheniramine hydrochloride","CAS":"5502-69-2","CAS.Checksum":true,"DTXSID":"DTXSID4049036","Formula":"C16H20Cl2N2","All.Compound.Names":"Dexchlorpheniramine hydrochloride|Dtxsid4049036|5502-69-2","logHenry":-4.974,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6529,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.13,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.2,"MP.Reference":"EPA-CCD-OPERA","MW":311.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5502-69-2"}
{"Compound":"9-methylguanine","CAS":"5502-78-3","CAS.Checksum":true,"DTXSID":"DTXSID5049318","Formula":"C6H7N5O","All.Compound.Names":"9-methylguanine|Dtxsid5049318|5502-78-3","logHenry":-9.255,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5305,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.328,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.168,"logWSol.Reference":"EPA-CCD-OPERA","MP":314.8,"MP.Reference":"EPA-CCD-OPERA","MW":165.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.82","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5502-78-3"}
{"Compound":"Cloprostenol sodium","CAS":"55028-72-3","CAS.Checksum":true,"DTXSID":"DTXSID1046500","Formula":"C22H28ClNaO6","All.Compound.Names":"Cloprostenol sodium|Dtxsid1046500|55028-72-3","logHenry":-10.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.29,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.144,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.648,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.9,"MP.Reference":"EPA-CCD-OPERA","MW":446.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55028-72-3"}
{"Compound":"3-methyl-5-phenylpentan-1-ol","CAS":"55066-48-3","CAS.Checksum":true,"DTXSID":"DTXSID4044822","Formula":"C12H18O","All.Compound.Names":"3-methyl-5-phenylpentan-1-ol|Dtxsid4044822|55066-48-3","logHenry":-5.666,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.04,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.459,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.913,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.68,"MP.Reference":"EPA-CCD-OPERA","MW":178.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55066-48-3"}
{"Compound":"4-methylphenyl 3-methylbutanoate","CAS":"55066-56-3","CAS.Checksum":true,"DTXSID":"DTXSID6047159","Formula":"C12H16O2","All.Compound.Names":"4-methylphenyl 3-methylbutanoate|P-tolyl isovalerate|Dtxsid6047159","logHenry":-4.031,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.376,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.436,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.019,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.09,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55066-56-3"}
{"Compound":"Aclatonium napadisilate","CAS":"55077-30-0","CAS.Checksum":true,"DTXSID":"DTXSID7048665","Formula":"C30H46N2O14S2","All.Compound.Names":"Aclatonium napadisilate|55077-30-0","logHenry":-6.35,"logHenry.Reference":"OPERA29","logP":-0.14,"logP.Reference":"OPERA29","logWSol":-1.14,"logWSol.Reference":"OPERA29","MP":3,"MP.Reference":"OPERA29","MW":722.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55077-30-0"}
{"Compound":"Acitretin","CAS":"55079-83-9","CAS.Checksum":true,"DTXSID":"DTXSID6022553","Formula":"C21H26O3","All.Compound.Names":"Acitretin|55079-83-9|Dtxsid6022553","logHenry":-7.978,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.398,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.282,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.5,"MP.Reference":"EPA-CCD-OPERA","MW":326.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.59,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"55079-83-9"}
{"Compound":"Andrographolide","CAS":"5508-58-7","CAS.Checksum":true,"DTXSID":"DTXSID3045980","Formula":"C20H30O5","All.Compound.Names":"Andrographolide|Dtxsid3045980|5508-58-7","logHenry":-9.259,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.105,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.617,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.3,"MP.Reference":"EPA-CCD-OPERA","MW":350.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.51","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5508-58-7"}
{"Compound":"L-alpha-acetyl-n-normethadol hydrochloride","CAS":"55096-75-8","CAS.Checksum":true,"DTXSID":"DTXSID5048920","Formula":"C22H30ClNO2","All.Compound.Names":"L-alpha-acetyl-n-normethadol hydrochloride|L-?lpha-noracetylmethadol hydrochloride|Dtxsid5048920|55096-75-8","logHenry":-9.27,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.111,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.677,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.477,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.3,"MP.Reference":"EPA-CCD-OPERA","MW":375.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55096-75-8"}
{"Compound":"Alpha-naphylisothiocyanate","CAS":"551-06-4","CAS.Checksum":true,"DTXSID":"DTXSID8025703","Formula":"C11H7NS","All.Compound.Names":"Alpha-naphylisothiocyanate|Dtxsid8025703|551-06-4","logHenry":-4.211,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.339,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.467,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.598,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.15,"MP.Reference":"EPA-CCD-OPERA","MW":185.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"551-06-4"}
{"Compound":"Dinoprost","CAS":"551-11-1","CAS.Checksum":true,"DTXSID":"DTXSID9022946","Formula":"C20H34O5","All.Compound.Names":"Dinoprost|Dtxsid9022946|551-11-1","logHenry":-9.978,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.385,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.025,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.139,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.08,"MP.Reference":"EPA-CCD-OPERA","MW":354.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.3,1.46,7.44","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"551-11-1"}
{"Compound":"6-aminopenicillanic acid","CAS":"551-16-6","CAS.Checksum":true,"DTXSID":"DTXSID7046097","Formula":"C8H12N2O3S","All.Compound.Names":"6-aminopenicillanic acid|Dtxsid7046097|551-16-6","logHenry":-9.668,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.382,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.556,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4805,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.1,"MP.Reference":"EPA-CCD-OPERA","MW":216.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"551-16-6"}
{"Compound":"Propicillin","CAS":"551-27-9","CAS.Checksum":true,"DTXSID":"DTXSID3046291","Formula":"C18H22N2O5S","All.Compound.Names":"Propicillin|Dtxsid3046291|551-27-9","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.649,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.894,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.978,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.1,"MP.Reference":"EPA-CCD-OPERA","MW":378.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"551-27-9"}
{"Compound":"1,2-dimethyl-5-nitroimidazole","CAS":"551-92-8","CAS.Checksum":true,"DTXSID":"DTXSID5020497","Formula":"C5H7N3O2","All.Compound.Names":"1,2-dimethyl-5-nitroimidazole|Dtxsid5020497|551-92-8","logHenry":-5.045,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3076,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.139,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8885,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.4,"MP.Reference":"EPA-CCD-OPERA","MW":141.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"551-92-8"}
{"Compound":"2'-aminoacetophenone","CAS":"551-93-9","CAS.Checksum":true,"DTXSID":"DTXSID4052213","Formula":"C8H9NO","All.Compound.Names":"2'-aminoacetophenone|Dtxsid4052213|551-93-9","logHenry":-8.45,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.627,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.086,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.881,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.3,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"551-93-9"}
{"Compound":"2,6-di(butan-2-yl)phenol","CAS":"5510-99-6","CAS.Checksum":true,"DTXSID":"DTXSID0044440","Formula":"C14H22O","All.Compound.Names":"2,6-di(butan-2-yl)phenol|Dtxsid0044440|5510-99-6","logHenry":-5.412,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.362,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.871,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.057,"logWSol.Reference":"EPA-CCD-OPERA","MP":-41.06,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5510-99-6"}
{"Compound":"Methyl 4,4,4-trimethylacetoacetate","CAS":"55107-14-7","CAS.Checksum":true,"DTXSID":"DTXSID2042149","Formula":"C8H14O3","All.Compound.Names":"Methyl 4,4,4-trimethylacetoacetate|Methyl pivaloylacetate|Dtxsid2042149","logHenry":-4.878,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.441,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.981,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":-30.89,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55107-14-7"}
{"Compound":"1-chloro-2-(chloromethyl)-3-fluorobenzene","CAS":"55117-15-2","CAS.Checksum":true,"DTXSID":"DTXSID8038855","Formula":"C7H5Cl2F","All.Compound.Names":"1-chloro-2-(chloromethyl)-3-fluorobenzene|Dtxsid8038855","logHenry":-4.398,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.692,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.164,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.485,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.22,"MP.Reference":"EPA-CCD-OPERA","MW":179,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55117-15-2"}
{"Compound":"Narasin","CAS":"55134-13-9","CAS.Checksum":true,"DTXSID":"DTXSID2046707","Formula":"C43H72O11","All.Compound.Names":"Narasin|Dtxsid2046707|55134-13-9","logHenry":-10.29,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.944,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.588,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.881,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.2,"MP.Reference":"EPA-CCD-OPERA","MW":765,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.48","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55134-13-9"}
{"Compound":"Ticlopidine","CAS":"55142-85-3","CAS.Checksum":true,"DTXSID":"DTXSID5023669","Formula":"C14H14ClNS","All.Compound.Names":"Ticlopidine|55142-85-3|Dtxsid5023669","logHenry":-3.815,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.198,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.666,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.765,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.9,"MP.Reference":"EPA-CCD-OPERA","MW":263.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"56.23","Human.Clint.Reference":"Dawson 2021","Human.Foral":0.8,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"55142-85-3"}
{"Compound":"Bitertanol","CAS":"55179-31-2","CAS.Checksum":true,"DTXSID":"DTXSID2037502","Formula":"C20H23N3O2","All.Compound.Names":"Bitertanol|Dtxsid2037502|55179-31-2","logHenry":-6.498,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.159,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.492,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.889,"logWSol.Reference":"EPA-CCD-OPERA","MP":127.1,"MP.Reference":"EPA-CCD-OPERA","MW":337.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55179-31-2"}
{"Compound":"2-nitrobenzoic acid","CAS":"552-16-9","CAS.Checksum":true,"DTXSID":"DTXSID5025738","Formula":"C7H5NO4","All.Compound.Names":"2-nitrobenzoic acid|Dtxsid5025738|552-16-9","logHenry":-8.566,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.466,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.102,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.333,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.5,"MP.Reference":"EPA-CCD-OPERA","MW":167.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"552-16-9"}
{"Compound":"Thymol iodide","CAS":"552-22-7","CAS.Checksum":true,"DTXSID":"DTXSID3046081","Formula":"C20H24I2O2","All.Compound.Names":"Thymol iodide|Dtxsid3046081","logHenry":-3.726,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.574,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.121,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.938,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.88,"MP.Reference":"EPA-CCD-OPERA","MW":550.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"552-22-7"}
{"Compound":"Trimellitic anhydride","CAS":"552-30-7","CAS.Checksum":true,"DTXSID":"DTXSID7026235","Formula":"C9H4O5","All.Compound.Names":"Trimellitic anhydride|Dtxsid7026235|552-30-7","logHenry":-10.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5939,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.955,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.318,"logWSol.Reference":"EPA-CCD-OPERA","MP":162,"MP.Reference":"EPA-CCD-OPERA","MW":192.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"552-30-7"}
{"Compound":"1-(chloromethyl)-2-methylbenzene","CAS":"552-45-4","CAS.Checksum":true,"DTXSID":"DTXSID5044441","Formula":"C8H9Cl","All.Compound.Names":"1-(chloromethyl)-2-methylbenzene|Dtxsid5044441","logHenry":-2.939,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.122,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.013,"logWSol.Reference":"EPA-CCD-OPERA","MP":-51.2,"MP.Reference":"EPA-CCD-OPERA","MW":140.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"552-45-4"}
{"Compound":"Methylephedrine","CAS":"552-79-4","CAS.Checksum":true,"DTXSID":"DTXSID7045992","Formula":"C11H17NO","All.Compound.Names":"Methylephedrine|(-)-methylephedrine|Dtxsid7045992|552-79-4","logHenry":-6.322,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.698,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.014,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.267,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.55,"MP.Reference":"EPA-CCD-OPERA","MW":179.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"552-79-4"}
{"Compound":"2-nitrobenzaldehyde","CAS":"552-89-6","CAS.Checksum":true,"DTXSID":"DTXSID0022060","Formula":"C7H5NO3","All.Compound.Names":"2-nitrobenzaldehyde|Dtxsid0022060|552-89-6","logHenry":-5.509,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.737,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.115,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.813,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.82,"MP.Reference":"EPA-CCD-OPERA","MW":151.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"552-89-6"}
{"Compound":"Salsalate","CAS":"552-94-3","CAS.Checksum":true,"DTXSID":"DTXSID1023572","Formula":"C14H10O5","All.Compound.Names":"Salsalate|Dtxsid1023572|552-94-3","logHenry":-8.052,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.878,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.104,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.592,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.1,"MP.Reference":"EPA-CCD-OPERA","MW":258.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"552-94-3"}
{"Compound":"1-nitropyrene","CAS":"5522-43-0","CAS.Checksum":true,"DTXSID":"DTXSID6020983","Formula":"C16H9NO2","All.Compound.Names":"1-nitropyrene|Dtxsid6020983","logHenry":-4.089,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.059,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.262,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.319,"logWSol.Reference":"EPA-CCD-OPERA","MP":155,"MP.Reference":"EPA-CCD-OPERA","MW":247.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5522-43-0"}
{"Compound":"Propentofylline","CAS":"55242-55-2","CAS.Checksum":true,"DTXSID":"DTXSID4045189","Formula":"C15H22N4O3","All.Compound.Names":"Propentofylline|3,7-dihydro-3-methyl-1-(5-oxohexyl)-7-propyl-1h-purine-2,6-dione|Dtxsid4045189|55242-55-2","logHenry":-8.453,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.044,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.66,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9855,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.08,"MP.Reference":"EPA-CCD-OPERA","MW":306.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55242-55-2"}
{"Compound":"Praziquantel","CAS":"55268-74-1","CAS.Checksum":true,"DTXSID":"DTXSID9021182","Formula":"C19H24N2O2","All.Compound.Names":"Praziquantel|55268-74-1|Dtxsid9021182","logHenry":-8.15,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.742,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.782,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.893,"logWSol.Reference":"EPA-CCD-OPERA","MP":136,"MP.Reference":"EPA-CCD-OPERA","MW":312.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"17.38","Human.Clint.Reference":"Dawson 2021","Human.Foral":0.07,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"55268-74-1"}
{"Compound":"Tiamulin","CAS":"55297-95-5","CAS.Checksum":true,"DTXSID":"DTXSID2046701","Formula":"C28H47NO4S","All.Compound.Names":"Tiamulin|Dtxsid2046701|55297-95-5","logHenry":-8.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.239,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.004,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.237,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.78,"MP.Reference":"EPA-CCD-OPERA","MW":493.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55297-95-5"}
{"Compound":"Thonzonium bromide","CAS":"553-08-2","CAS.Checksum":true,"DTXSID":"DTXSID1045326","Formula":"C32H55BrN4O","All.Compound.Names":"Thonzonium bromide|Dtxsid1045326|553-08-2","logHenry":-6.409,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.463,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.976,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.5,"MP.Reference":"EPA-CCD-OPERA","MW":591.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"553-08-2"}
{"Compound":"Guaiacol carbonate","CAS":"553-17-3","CAS.Checksum":true,"DTXSID":"DTXSID3046405","Formula":"C15H14O5","All.Compound.Names":"Guaiacol carbonate|Dtxsid3046405","logHenry":-8.168,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.738,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.444,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.856,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.01,"MP.Reference":"EPA-CCD-OPERA","MW":274.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"553-17-3"}
{"Compound":"Nicotinic acid hydrazide","CAS":"553-53-7","CAS.Checksum":true,"DTXSID":"DTXSID6020933","Formula":"C6H7N3O","All.Compound.Names":"Nicotinic acid hydrazide|Dtxsid6020933|553-53-7","logHenry":-8.319,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3689,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.963,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1341,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.9,"MP.Reference":"EPA-CCD-OPERA","MW":137.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.37","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"553-53-7"}
{"Compound":"Magnesium dibenzoate","CAS":"553-70-8","CAS.Checksum":true,"DTXSID":"DTXSID1044693","Formula":"C14H10MgO4","All.Compound.Names":"Magnesium dibenzoate|Dtxsid1044693|553-70-8","logHenry":-6.574,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.563,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.471,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4792,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.3,"MP.Reference":"EPA-CCD-OPERA","MW":266.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"553-70-8"}
{"Compound":"Betamethasone butyrate propionate","CAS":"5534-02-1","CAS.Checksum":true,"DTXSID":"DTXSID7022671","Formula":"C29H39FO7","All.Compound.Names":"Betamethasone butyrate propionate|Dtxsid7022671|5534-02-1","logHenry":-9.239,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.883,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.348,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.004,"logWSol.Reference":"EPA-CCD-OPERA","MP":252.2,"MP.Reference":"EPA-CCD-OPERA","MW":518.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5534-02-1"}
{"Compound":"Pentagastrin","CAS":"5534-95-2","CAS.Checksum":true,"DTXSID":"DTXSID3048992","Formula":"C37H49N7O9S","All.Compound.Names":"Pentagastrin|Dtxsid3048992|5534-95-2","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1408,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.736,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.297,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.9,"MP.Reference":"EPA-CCD-OPERA","MW":767.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5534-95-2"}
{"Compound":"Sodium methacrylate","CAS":"5536-61-8","CAS.Checksum":true,"DTXSID":"DTXSID9044823","Formula":"C4H5NaO2","All.Compound.Names":"Sodium methacrylate|Dtxsid9044823|5536-61-8","logHenry":-6.412,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.56,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.621,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01621,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.3,"MP.Reference":"EPA-CCD-OPERA","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5536-61-8"}
{"Compound":"Dioctyldimethylammonium chloride","CAS":"5538-94-3","CAS.Checksum":true,"DTXSID":"DTXSID6035491","Formula":"C18H40ClN","All.Compound.Names":"Dioctyldimethylammonium chloride|Dtxsid6035491|5538-94-3","logHenry":-4.234,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7096,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.129,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.573,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.4,"MP.Reference":"EPA-CCD-OPERA","MW":306,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5538-94-3"}
{"Compound":"2,4-dichloroaniline","CAS":"554-00-7","CAS.Checksum":true,"DTXSID":"DTXSID1024966","Formula":"C6H5Cl2N","All.Compound.Names":"2,4-dichloroaniline|Dtxsid1024966|554-00-7","logHenry":-6.728,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.778,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.733,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.421,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.15,"MP.Reference":"EPA-CCD-OPERA","MW":162,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"554-00-7"}
{"Compound":"Methyl propanoate","CAS":"554-12-1","CAS.Checksum":true,"DTXSID":"DTXSID7027201","Formula":"C4H8O2","All.Compound.Names":"Methyl propanoate|Dtxsid7027201","logHenry":-3.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8292,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.869,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1469,"logWSol.Reference":"EPA-CCD-OPERA","MP":-87.28,"MP.Reference":"EPA-CCD-OPERA","MW":88.11,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"554-12-1"}
{"Compound":"Methazolamide","CAS":"554-57-4","CAS.Checksum":true,"DTXSID":"DTXSID1023281","Formula":"C5H8N4O3S2","All.Compound.Names":"Methazolamide|Dtxsid1023281|554-57-4","logHenry":-9.527,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1297,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.619,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.829,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.5,"MP.Reference":"EPA-CCD-OPERA","MW":236.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"554-57-4"}
{"Compound":"3-nitrophenol","CAS":"554-84-7","CAS.Checksum":true,"DTXSID":"DTXSID2025765","Formula":"C6H5NO3","All.Compound.Names":"3-nitrophenol|Dtxsid2025765|554-84-7","logHenry":-8.689,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.001,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.085,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.013,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.93,"MP.Reference":"EPA-CCD-OPERA","MW":139.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"554-84-7"}
{"Compound":"Trimethobenzamide hydrochloride","CAS":"554-92-7","CAS.Checksum":true,"DTXSID":"DTXSID7047774","Formula":"C21H29ClN2O5","All.Compound.Names":"Trimethobenzamide hydrochloride|Dtxsid7047774|554-92-7","logHenry":-10.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.19,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.161,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.239,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.3,"MP.Reference":"EPA-CCD-OPERA","MW":424.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"554-92-7"}
{"Compound":"1,3,5-benzenetricarboxylic acid","CAS":"554-95-0","CAS.Checksum":true,"DTXSID":"DTXSID8021488","Formula":"C9H6O6","All.Compound.Names":"1,3,5-benzenetricarboxylic acid|Dtxsid8021488|554-95-0","logHenry":-9.548,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.993,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.329,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9038,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.1,"MP.Reference":"EPA-CCD-OPERA","MW":210.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"554-95-0"}
{"Compound":"Tiliquinol","CAS":"5541-67-3","CAS.Checksum":true,"DTXSID":"DTXSID3046401","Formula":"C10H9NO","All.Compound.Names":"Tiliquinol|Dtxsid3046401|5541-67-3","logHenry":-8.262,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.372,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.393,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.467,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.1,"MP.Reference":"EPA-CCD-OPERA","MW":159.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5541-67-3"}
{"Compound":"Piperonyl acetone","CAS":"55418-52-5","CAS.Checksum":true,"DTXSID":"DTXSID0047161","Formula":"C11H12O3","All.Compound.Names":"Piperonyl acetone|4-(1,3-benzodioxol-5-yl)butan-2-one|Dtxsid0047161","logHenry":-8.33,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.087,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.82,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.41,"MP.Reference":"EPA-CCD-OPERA","MW":192.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55418-52-5"}
{"Compound":"Isoxepac","CAS":"55453-87-7","CAS.Checksum":true,"DTXSID":"DTXSID8057772","Formula":"C16H12O4","All.Compound.Names":"Isoxepac|Dtxsid8057772|55453-87-7","logHenry":-9.016,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.537,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.613,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.509,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.3,"MP.Reference":"EPA-CCD-OPERA","MW":268.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55453-87-7"}
{"Compound":"4-nitrobenzaldehyde","CAS":"555-16-8","CAS.Checksum":true,"DTXSID":"DTXSID5022061","Formula":"C7H5NO3","All.Compound.Names":"4-nitrobenzaldehyde|Dtxsid5022061|555-16-8","logHenry":-5.519,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.561,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.292,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.813,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.74,"MP.Reference":"EPA-CCD-OPERA","MW":151.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"555-16-8"}
{"Compound":"Tripalmitin","CAS":"555-44-2","CAS.Checksum":true,"DTXSID":"DTXSID8046169","Formula":"C51H98O6","All.Compound.Names":"Tripalmitin|Dtxsid8046169","logHenry":-7.591,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.711,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.961,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.165,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.7879,"MP.Reference":"EPA-CCD-OPERA","MW":807.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"555-44-2"}
{"Compound":"Carbonyl cyanide chlorophenylhydrazone","CAS":"555-60-2","CAS.Checksum":true,"DTXSID":"DTXSID7040990","Formula":"C9H5ClN4","All.Compound.Names":"Carbonyl cyanide chlorophenylhydrazone|Dtxsid7040990|555-60-2","logHenry":-6.248,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.379,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.393,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.724,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.2,"MP.Reference":"EPA-CCD-OPERA","MW":204.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.76","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"555-60-2"}
{"Compound":"Trichlomethine","CAS":"555-77-1","CAS.Checksum":true,"DTXSID":"DTXSID7048744","Formula":"C6H12Cl3N","All.Compound.Names":"Trichlomethine|2-chloro-n,n-bis(2-chloroethyl)ethanamine|Dtxsid7048744|555-77-1","logHenry":-3.702,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.486,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.767,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.606,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.11,"MP.Reference":"EPA-CCD-OPERA","MW":204.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"555-77-1"}
{"Compound":"Nicothiazone","CAS":"555-90-8","CAS.Checksum":true,"DTXSID":"DTXSID1046392","Formula":"C7H8N4S","All.Compound.Names":"Nicothiazone|Dtxsid1046392|555-90-8","logHenry":-8.961,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8177,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.895,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.242,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.1,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"555-90-8"}
{"Compound":"Pyridate","CAS":"55512-33-9","CAS.Checksum":true,"DTXSID":"DTXSID2032639","Formula":"C19H23ClN2O2S","All.Compound.Names":"Pyridate|Dtxsid2032639|55512-33-9","logHenry":-7.219,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.867,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.841,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.41,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.28,"MP.Reference":"EPA-CCD-OPERA","MW":378.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55512-33-9"}
{"Compound":"Dexamethasone dipropionate","CAS":"55541-30-5","CAS.Checksum":true,"DTXSID":"DTXSID3022902","Formula":"C28H37FO7","All.Compound.Names":"Dexamethasone dipropionate|Dtxsid3022902|55541-30-5","logHenry":-9.281,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.069,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.177,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.985,"logWSol.Reference":"EPA-CCD-OPERA","MP":252.3,"MP.Reference":"EPA-CCD-OPERA","MW":504.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55541-30-5"}
{"Compound":"Tetrakis(hydroxymethyl)phosphonium sulfate","CAS":"55566-30-8","CAS.Checksum":true,"DTXSID":"DTXSID0021331","Formula":"C8H24O12P2S","All.Compound.Names":"Tetrakis(hydroxymethyl)phosphonium sulfate|55566-30-8","logHenry":-8.001,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6581,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.523,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2448,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.6,"MP.Reference":"EPA-CCD-OPERA","MW":406.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55566-30-8"}
{"Compound":"Acesulfame potassium","CAS":"55589-62-3","CAS.Checksum":true,"DTXSID":"DTXSID1030606","Formula":"C4H4KNO4S","All.Compound.Names":"Acesulfame potassium|Dtxsid1030606|55589-62-3","logHenry":-7.953,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.774,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.748,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9065,"logWSol.Reference":"EPA-CCD-OPERA","MP":117.2,"MP.Reference":"EPA-CCD-OPERA","MW":201.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55589-62-3"}
{"Compound":"4-acetamidobenzoic acid","CAS":"556-08-1","CAS.Checksum":true,"DTXSID":"DTXSID5024392","Formula":"C9H9NO3","All.Compound.Names":"4-acetamidobenzoic acid|Acedoben|Dtxsid5024392|556-08-1","logHenry":-10.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.31,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.814,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.726,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.7,"MP.Reference":"EPA-CCD-OPERA","MW":179.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"556-08-1"}
{"Compound":"Glycidol","CAS":"556-52-5","CAS.Checksum":true,"DTXSID":"DTXSID4020666","Formula":"C3H6O2","All.Compound.Names":"Glycidol|Dtxsid4020666|556-52-5","logHenry":-6.482,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9487,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.035,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.13,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.41,"MP.Reference":"EPA-CCD-OPERA","MW":74.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"556-52-5"}
{"Compound":"Methyl isothiocyanate","CAS":"556-61-6","CAS.Checksum":true,"DTXSID":"DTXSID2027204","Formula":"C2H3NS","All.Compound.Names":"Methyl isothiocyanate|Dtxsid2027204|556-61-6","logHenry":-5.173,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9399,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6677,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9859,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.82,"MP.Reference":"EPA-CCD-OPERA","MW":73.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"556-61-6"}
{"Compound":"Octamethylcyclotetrasiloxane","CAS":"556-67-2","CAS.Checksum":true,"DTXSID":"DTXSID7027205","Formula":"C8H24O4Si4","All.Compound.Names":"Octamethylcyclotetrasiloxane|Dtxsid7027205","logHenry":1.079,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.741,"logP.Reference":"EPA-CCD-OPERA","logPwa":-2.797,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.77,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.45,"MP.Reference":"EPA-CCD-OPERA","MW":296.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"93.8,52.2,169","Human.Caco2.Pab.Reference":"HondaUnpublished","Chemical.Class":"","_row":"556-67-2"}
{"Compound":"3-methyl-2-buten-1-ol","CAS":"556-82-1","CAS.Checksum":true,"DTXSID":"DTXSID2027206","Formula":"C5H10O","All.Compound.Names":"3-methyl-2-buten-1-ol|Dtxsid2027206|556-82-1","logHenry":-7.076,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8864,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.308,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1071,"logWSol.Reference":"EPA-CCD-OPERA","MP":-51.15,"MP.Reference":"EPA-CCD-OPERA","MW":86.13,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"556-82-1"}
{"Compound":"Nitroguanidine","CAS":"556-88-7","CAS.Checksum":true,"DTXSID":"DTXSID4024222","Formula":"CH4N4O2","All.Compound.Names":"Nitroguanidine|Dtxsid4024222|556-88-7","logHenry":-7.903,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8904,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.786,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.371,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.2,"MP.Reference":"EPA-CCD-OPERA","MW":104.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"556-88-7"}
{"Compound":"Alverine citrate","CAS":"5560-59-8","CAS.Checksum":true,"DTXSID":"DTXSID3045562","Formula":"C26H35NO7","All.Compound.Names":"Alverine citrate|Dtxsid3045562|5560-59-8","logHenry":-6.027,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8372,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.73,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.529,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.8,"MP.Reference":"EPA-CCD-OPERA","MW":473.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5560-59-8"}
{"Compound":"Alloxydim-sodium","CAS":"55635-13-7","CAS.Checksum":true,"DTXSID":"DTXSID9047041","Formula":"C17H24NNaO5","All.Compound.Names":"Alloxydim-sodium|Alloxydim sodium|Dtxsid9047041|55635-13-7","logHenry":-8.38,"logHenry.Reference":"OPERA29","logP":3.43,"logP.Reference":"OPERA29","logWSol":0.78,"logWSol.Reference":"OPERA29","MP":85,"MP.Reference":"OPERA29","MW":345.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55635-13-7"}
{"Compound":"Zinc octanoate","CAS":"557-09-5","CAS.Checksum":true,"DTXSID":"DTXSID2042517","Formula":"C16H30O4Zn","All.Compound.Names":"Zinc octanoate|Zinc dioctanoate|Dtxsid2042517|557-09-5","logHenry":-5.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3705,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.613,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.279,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.1,"MP.Reference":"EPA-CCD-OPERA","MW":351.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"557-09-5"}
{"Compound":"Glyoxime","CAS":"557-30-2","CAS.Checksum":true,"DTXSID":"DTXSID2042014","Formula":"C2H4N2O2","All.Compound.Names":"Glyoxime|Dtxsid2042014|557-30-2","logHenry":-7.008,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.071,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.511,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.02,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.7,"MP.Reference":"EPA-CCD-OPERA","MW":88.07,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"557-30-2"}
{"Compound":"Zinc acetate","CAS":"557-34-6","CAS.Checksum":true,"DTXSID":"DTXSID8038770","Formula":"C4H6O4Zn","All.Compound.Names":"Zinc acetate|Dtxsid8038770|557-34-6","logHenry":-6.998,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.781,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.012,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":258.7,"MP.Reference":"EPA-CCD-OPERA","MW":183.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"557-34-6"}
{"Compound":"Trans-2,cis-6-nonadienal","CAS":"557-48-2","CAS.Checksum":true,"DTXSID":"DTXSID1047104","Formula":"C9H14O","All.Compound.Names":"Trans-2,cis-6-nonadienal|Trans,cis-2,6-nonadienal|Dtxsid1047104","logHenry":-3.65,"logHenry.Reference":"OPERA29","logP":2.72,"logP.Reference":"OPERA29","logWSol":-2.14,"logWSol.Reference":"OPERA29","MP":-21,"MP.Reference":"OPERA29","MW":138.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"557-48-2"}
{"Compound":"2,5-dimethyl-1,4-dithiane-2,5-diol","CAS":"55704-78-4","CAS.Checksum":true,"DTXSID":"DTXSID3047683","Formula":"C6H12O2S2","All.Compound.Names":"2,5-dimethyl-1,4-dithiane-2,5-diol|Dtxsid3047683|55704-78-4","logHenry":-6.738,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.415,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.52,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7746,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.8,"MP.Reference":"EPA-CCD-OPERA","MW":180.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55704-78-4"}
{"Compound":"Phenethyl tiglate","CAS":"55719-85-2","CAS.Checksum":true,"DTXSID":"DTXSID8047684","Formula":"C13H16O2","All.Compound.Names":"Phenethyl tiglate|Phenethyl 2-methylcrotonate|Dtxsid8047684","logHenry":-4.478,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.574,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.331,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.629,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.032,"MP.Reference":"EPA-CCD-OPERA","MW":204.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55719-85-2"}
{"Compound":"Aviglycine hydrochloride","CAS":"55720-26-8","CAS.Checksum":true,"DTXSID":"DTXSID1034266","Formula":"C6H13ClN2O3","All.Compound.Names":"Aviglycine hydrochloride|Dtxsid1034266|55720-26-8","logHenry":-8.427,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.296,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.187,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6024,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.8,"MP.Reference":"EPA-CCD-OPERA","MW":196.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55720-26-8"}
{"Compound":"24r,25-dihydroxyvitamin d3","CAS":"55721-11-4","CAS.Checksum":true,"DTXSID":"DTXSID4021260","Formula":"C27H44O3","All.Compound.Names":"24r,25-dihydroxyvitamin d3|Dtxsid4021260|55721-11-4","logHenry":-7.721,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.943,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.421,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.958,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.5,"MP.Reference":"EPA-CCD-OPERA","MW":416.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55721-11-4"}
{"Compound":"Salinomycin sodium","CAS":"55721-31-8","CAS.Checksum":true,"DTXSID":"DTXSID1045902","Formula":"C42H69NaO11","All.Compound.Names":"Salinomycin sodium|Dtxsid1045902|55721-31-8","logHenry":-10.31,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.931,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.598,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.452,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.3,"MP.Reference":"EPA-CCD-OPERA","MW":773,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.48","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55721-31-8"}
{"Compound":"Enocitabine","CAS":"55726-47-1","CAS.Checksum":true,"DTXSID":"DTXSID6046682","Formula":"C31H55N3O6","All.Compound.Names":"Enocitabine|Dtxsid6046682|55726-47-1","logHenry":-9.814,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.343,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.162,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.389,"logWSol.Reference":"EPA-CCD-OPERA","MP":161,"MP.Reference":"EPA-CCD-OPERA","MW":565.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55726-47-1"}
{"Compound":"Cefalonium","CAS":"5575-21-3","CAS.Checksum":true,"DTXSID":"DTXSID5045388","Formula":"C20H18N4O5S2","All.Compound.Names":"Cefalonium|Dtxsid5045388|5575-21-3","logHenry":-10.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5935,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.3,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.065,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.9,"MP.Reference":"EPA-CCD-OPERA","MW":458.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5575-21-3"}
{"Compound":"Imidocarb dipropionate","CAS":"55750-06-6","CAS.Checksum":true,"DTXSID":"DTXSID4046604","Formula":"C25H32N6O5","All.Compound.Names":"Imidocarb dipropionate|Dtxsid4046604|55750-06-6","logHenry":-9.184,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8266,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.605,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.622,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.4,"MP.Reference":"EPA-CCD-OPERA","MW":496.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.25","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55750-06-6"}
{"Compound":"Astromicin","CAS":"55779-06-1","CAS.Checksum":true,"DTXSID":"DTXSID2022624","Formula":"C17H35N5O6","All.Compound.Names":"Astromicin|Dtxsid2022624|55779-06-1","logHenry":-10.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.143,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.67,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.477,"logWSol.Reference":"EPA-CCD-OPERA","MP":232,"MP.Reference":"EPA-CCD-OPERA","MW":405.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55779-06-1"}
{"Compound":"Arprinocid","CAS":"55779-18-5","CAS.Checksum":true,"DTXSID":"DTXSID3057773","Formula":"C12H9ClFN5","All.Compound.Names":"Arprinocid|Dtxsid3057773|55779-18-5","logHenry":-7.275,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.458,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.524,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.245,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.4,"MP.Reference":"EPA-CCD-OPERA","MW":277.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55779-18-5"}
{"Compound":"Epsilon-decalactone","CAS":"5579-78-2","CAS.Checksum":true,"DTXSID":"DTXSID8047551","Formula":"C10H18O2","All.Compound.Names":"Epsilon-decalactone|Dtxsid8047551","logHenry":-6.276,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.082,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.746,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.249,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.904,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5579-78-2"}
{"Compound":"Isalon","CAS":"5579-81-7","CAS.Checksum":true,"DTXSID":"DTXSID8057774","Formula":"C4H7AlN4O5","All.Compound.Names":"Isalon","MW":218.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5579-81-7"}
{"Compound":"3,3-dimethyl-1-butene","CAS":"558-37-2","CAS.Checksum":true,"DTXSID":"DTXSID1027211","Formula":"C6H12","All.Compound.Names":"3,3-dimethyl-1-butene|Dtxsid1027211","logHenry":-0.6322,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.824,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8607,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.108,"logWSol.Reference":"EPA-CCD-OPERA","MP":-115.8,"MP.Reference":"EPA-CCD-OPERA","MW":84.16,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"558-37-2"}
{"Compound":"Mepronil","CAS":"55814-41-0","CAS.Checksum":true,"DTXSID":"DTXSID1037565","Formula":"C17H19NO2","All.Compound.Names":"Mepronil|Dtxsid1037565|55814-41-0","logHenry":-9.439,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.66,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.589,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.329,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.61,"MP.Reference":"EPA-CCD-OPERA","MW":269.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55814-41-0"}
{"Compound":"Pentisomicin","CAS":"55870-64-9","CAS.Checksum":true,"DTXSID":"DTXSID7046887","Formula":"C19H37N5O7","All.Compound.Names":"Pentisomicin|Dtxsid7046887|55870-64-9","logHenry":-10.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.038,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.61,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.267,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.7,"MP.Reference":"EPA-CCD-OPERA","MW":447.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.59","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55870-64-9"}
{"Compound":"Althiazide","CAS":"5588-16-9","CAS.Checksum":true,"DTXSID":"DTXSID3045857","Formula":"C11H14ClN3O4S3","All.Compound.Names":"Althiazide|Dtxsid3045857|5588-16-9","logHenry":-9.57,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.17,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.093,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.047,"logWSol.Reference":"EPA-CCD-OPERA","MP":247.4,"MP.Reference":"EPA-CCD-OPERA","MW":383.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5588-16-9"}
{"Compound":"Cintriamide","CAS":"5588-21-6","CAS.Checksum":true,"DTXSID":"DTXSID3057775","Formula":"C12H15NO4","All.Compound.Names":"Cintriamide|Dtxsid3057775|5588-21-6","logHenry":-8.309,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.219,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.696,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.413,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.8,"MP.Reference":"EPA-CCD-OPERA","MW":237.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5588-21-6"}
{"Compound":"Mesoridazine","CAS":"5588-33-0","CAS.Checksum":true,"DTXSID":"DTXSID3023265","Formula":"C21H26N2OS2","All.Compound.Names":"Mesoridazine|Dtxsid3023265|5588-33-0","logHenry":-6.762,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.483,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.915,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.6,"MP.Reference":"EPA-CCD-OPERA","MW":386.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5588-33-0"}
{"Compound":"Bromochloroacetic acid","CAS":"5589-96-8","CAS.Checksum":true,"DTXSID":"DTXSID4024642","Formula":"C2H2BrClO2","All.Compound.Names":"Bromochloroacetic acid|Dtxsid4024642|5589-96-8","logHenry":-8.154,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.177,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.581,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1931,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.52,"MP.Reference":"EPA-CCD-OPERA","MW":173.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5589-96-8"}
{"Compound":"Thiothixene","CAS":"5591-45-7","CAS.Checksum":true,"DTXSID":"DTXSID6023658","Formula":"C23H29N3O2S2","All.Compound.Names":"Thiothixene|Dtxsid6023658|5591-45-7","logHenry":-7.012,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.78,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.904,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.405,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.4,"MP.Reference":"EPA-CCD-OPERA","MW":443.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5591-45-7"}
{"Compound":"Anilamate","CAS":"5591-49-1","CAS.Checksum":true,"DTXSID":"DTXSID7046253","Formula":"C15H14N2O3","All.Compound.Names":"Anilamate|Dtxsid7046253|5591-49-1","logHenry":-9.922,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.588,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.71,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.832,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.8,"MP.Reference":"EPA-CCD-OPERA","MW":270.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5591-49-1"}
{"Compound":"Betamethasone dipropionate","CAS":"5593-20-4","CAS.Checksum":true,"DTXSID":"DTXSID2022672","Formula":"C28H37FO7","All.Compound.Names":"Betamethasone dipropionate|Dtxsid2022672|5593-20-4","logHenry":-9.281,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.069,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.177,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.985,"logWSol.Reference":"EPA-CCD-OPERA","MP":252.3,"MP.Reference":"EPA-CCD-OPERA","MW":504.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5593-20-4"}
{"Compound":"Tripropylene glycol butyl ether","CAS":"55934-93-5","CAS.Checksum":true,"DTXSID":"DTXSID8042503","Formula":"C13H28O4","All.Compound.Names":"Tripropylene glycol butyl ether|Dtxsid8042503|55934-93-5","logHenry":-6.417,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.474,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.666,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.275,"logWSol.Reference":"EPA-CCD-OPERA","MP":-13.41,"MP.Reference":"EPA-CCD-OPERA","MW":248.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55934-93-5"}
{"Compound":"Nitazoxanide","CAS":"55981-09-4","CAS.Checksum":true,"DTXSID":"DTXSID5033757","Formula":"C12H9N3O5S","All.Compound.Names":"Nitazoxanide|55981-09-4|Dtxsid5033757","logHenry":-9.892,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.567,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.186,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.131,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.4,"MP.Reference":"EPA-CCD-OPERA","MW":307.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.7,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"55981-09-4"}
{"Compound":"2-amino-4,6-dichloropyrimidine","CAS":"56-05-3","CAS.Checksum":true,"DTXSID":"DTXSID2049420","Formula":"C4H3Cl2N3","All.Compound.Names":"2-amino-4,6-dichloropyrimidine|Dtxsid2049420|56-05-3","logHenry":-6.857,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9301,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.435,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.207,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.4,"MP.Reference":"EPA-CCD-OPERA","MW":164,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56-05-3"}
{"Compound":"2,4-diamino-6-hydroxypyrimidine","CAS":"56-06-4","CAS.Checksum":true,"DTXSID":"DTXSID4049038","Formula":"C4H6N4O","All.Compound.Names":"2,4-diamino-6-hydroxypyrimidine|Dtxsid4049038|56-06-4","logHenry":-8.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5844,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.178,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9412,"logWSol.Reference":"EPA-CCD-OPERA","MP":276.5,"MP.Reference":"EPA-CCD-OPERA","MW":126.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.63","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56-06-4"}
{"Compound":"4-aminobutanoic acid","CAS":"56-12-2","CAS.Checksum":true,"DTXSID":"DTXSID6035106","Formula":"C4H9NO2","All.Compound.Names":"4-aminobutanoic acid|Dtxsid6035106|56-12-2","logHenry":-7.896,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.167,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.34,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.099,"logWSol.Reference":"EPA-CCD-OPERA","MP":260.6,"MP.Reference":"EPA-CCD-OPERA","MW":103.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.12","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56-12-2"}
{"Compound":"Iminobis-3-propylamine","CAS":"56-18-8","CAS.Checksum":true,"DTXSID":"DTXSID0025440","Formula":"C6H17N3","All.Compound.Names":"Iminobis-3-propylamine|Norspermidine|Dtxsid0025440|56-18-8","logHenry":-7.866,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2882,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.547,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6224,"logWSol.Reference":"EPA-CCD-OPERA","MP":-13.98,"MP.Reference":"EPA-CCD-OPERA","MW":131.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56-18-8"}
{"Compound":"Carbon tetrachloride","CAS":"56-23-5","CAS.Checksum":true,"DTXSID":"DTXSID8020250","Formula":"CCl4","All.Compound.Names":"Carbon tetrachloride|Dtxsid8020250","logHenry":-1.559,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.829,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.04609,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.294,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.87,"MP.Reference":"EPA-CCD-OPERA","MW":153.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.281","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.6105","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"23.21","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.2368","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"56-23-5"}
{"Compound":"Cantharidin","CAS":"56-25-7","CAS.Checksum":true,"DTXSID":"DTXSID7041752","Formula":"C10H12O4","All.Compound.Names":"Cantharidin|Dtxsid7041752","logHenry":-8.86,"logHenry.Reference":"OPERA29","logP":0.32,"logP.Reference":"OPERA29","logWSol":-3.81,"logWSol.Reference":"OPERA29","MP":217,"MP.Reference":"OPERA29","MW":196.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56-25-7"}
{"Compound":"Tetraethylammonium chloride","CAS":"56-34-8","CAS.Checksum":true,"DTXSID":"DTXSID6041137","Formula":"C8H20ClN","All.Compound.Names":"Tetraethylammonium chloride|Dtxsid6041137|56-34-8","logHenry":-0.911,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.149,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.76,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4229,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.2,"MP.Reference":"EPA-CCD-OPERA","MW":165.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56-34-8"}
{"Compound":"Bis(tributyltin)oxide","CAS":"56-35-9","CAS.Checksum":true,"DTXSID":"DTXSID9020166","Formula":"C24H54OSn2","All.Compound.Names":"Bis(tributyltin)oxide","MW":596.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56-35-9"}
{"Compound":"Benzyltriethylammonium chloride","CAS":"56-37-1","CAS.Checksum":true,"DTXSID":"DTXSID9021710","Formula":"C13H22ClN","All.Compound.Names":"Benzyltriethylammonium chloride|Dtxsid9021710|Benzyl trialkyl ammonium compound c2:c2:c2 (btaac c2:c2:c2)|56-37-1","logHenry":-2.195,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.079,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.789,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.424,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.5,"MP.Reference":"EPA-CCD-OPERA","MW":227.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56-37-1"}
{"Compound":"Glycine","CAS":"56-40-6","CAS.Checksum":true,"DTXSID":"DTXSID9020667","Formula":"C2H5NO2","All.Compound.Names":"Glycine|Dtxsid9020667|56-40-6","logHenry":-8.037,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.203,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.954,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5203,"logWSol.Reference":"EPA-CCD-OPERA","MP":244.4,"MP.Reference":"EPA-CCD-OPERA","MW":75.07,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.98","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56-40-6"}
{"Compound":"Deoxycorticosterone acetate","CAS":"56-47-3","CAS.Checksum":true,"DTXSID":"DTXSID6022894","Formula":"C23H32O4","All.Compound.Names":"Deoxycorticosterone acetate|Dtxsid6022894","logHenry":-7.456,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.081,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.618,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.633,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.4,"MP.Reference":"EPA-CCD-OPERA","MW":372.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56-47-3"}
{"Compound":"3-methylcholanthrene","CAS":"56-49-5","CAS.Checksum":true,"DTXSID":"DTXSID0020862","Formula":"C21H16","All.Compound.Names":"3-methylcholanthrene|Dtxsid0020862","logHenry":-3.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.419,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.356,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.956,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.9,"MP.Reference":"EPA-CCD-OPERA","MW":268.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56-49-5"}
{"Compound":"Felypressin","CAS":"56-59-7","CAS.Checksum":true,"DTXSID":"DTXSID6048599","Formula":"C46H65N13O11S2","All.Compound.Names":"Felypressin|Dtxsid6048599|56-59-7","logHenry":-10.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.038,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.591,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.769,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.2,"MP.Reference":"EPA-CCD-OPERA","MW":1040,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56-59-7"}
{"Compound":"Adenosine triphosphate","CAS":"56-65-5","CAS.Checksum":true,"DTXSID":"DTXSID6022559","Formula":"C10H16N5O13P3","All.Compound.Names":"Adenosine triphosphate|Dtxsid6022559|56-65-5","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.335,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.9,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2945,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.8,"MP.Reference":"EPA-CCD-OPERA","MW":507.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56-65-5"}
{"Compound":"Glycerol","CAS":"56-81-5","CAS.Checksum":true,"DTXSID":"DTXSID9020663","Formula":"C3H8O3","All.Compound.Names":"Glycerol|Dtxsid9020663|56-81-5","logHenry":-7.762,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.86,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.272,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.078,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.44,"MP.Reference":"EPA-CCD-OPERA","MW":92.09,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56-81-5"}
{"Compound":"L-glutamic acid","CAS":"56-86-0","CAS.Checksum":true,"DTXSID":"DTXSID5020659","Formula":"C5H9NO4","All.Compound.Names":"L-glutamic acid|Dtxsid5020659|56-86-0","logHenry":-9.303,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.688,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.95,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1617,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.1,"MP.Reference":"EPA-CCD-OPERA","MW":147.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.15","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56-86-0"}
{"Compound":"Lysine","CAS":"56-87-1","CAS.Checksum":true,"DTXSID":"DTXSID6023232","Formula":"C6H14N2O2","All.Compound.Names":"Lysine|L-?lysine|Dtxsid6023232|56-87-1","logHenry":-8.863,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.045,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.3,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8337,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.2,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56-87-1"}
{"Compound":"L-cystine","CAS":"56-89-3","CAS.Checksum":true,"DTXSID":"DTXSID2046418","Formula":"C6H12N2O4S2","All.Compound.Names":"L-cystine|Dtxsid2046418|56-89-3","logHenry":-8.691,"logHenry.Reference":"EPA-CCD-OPERA","logP":-5.077,"logP.Reference":"EPA-CCD-OPERA","logPwa":13.71,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.099,"logWSol.Reference":"EPA-CCD-OPERA","MP":187,"MP.Reference":"EPA-CCD-OPERA","MW":240.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56-89-3"}
{"Compound":"Benzyltrimethylammonium chloride","CAS":"56-93-9","CAS.Checksum":true,"DTXSID":"DTXSID8024600","Formula":"C10H16ClN","All.Compound.Names":"Benzyltrimethylammonium chloride|Dtxsid8024600|56-93-9","logHenry":-1.424,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.171,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.595,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.069,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.6,"MP.Reference":"EPA-CCD-OPERA","MW":185.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56-93-9"}
{"Compound":"Demecarium bromide","CAS":"56-94-0","CAS.Checksum":true,"DTXSID":"DTXSID6045240","Formula":"C32H52Br2N4O4","All.Compound.Names":"Demecarium bromide|Dtxsid6045240|56-94-0","logHenry":-6.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8718,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.8,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.954,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.8,"MP.Reference":"EPA-CCD-OPERA","MW":716.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56-94-0"}
{"Compound":"4-methylpyrazole hydrochloride","CAS":"56010-88-9","CAS.Checksum":true,"DTXSID":"DTXSID3045776","Formula":"C4H7ClN2","All.Compound.Names":"4-methylpyrazole hydrochloride|4-methyl-1h-pyrazole hydrochloride|Dtxsid3045776|56010-88-9","logHenry":-5.832,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.272,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.236,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4317,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.59,"MP.Reference":"EPA-CCD-OPERA","MW":118.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.62","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56010-88-9"}
{"Compound":"Sucralose","CAS":"56038-13-2","CAS.Checksum":true,"DTXSID":"DTXSID1040245","Formula":"C12H19Cl3O8","All.Compound.Names":"Sucralose|Dtxsid1040245|56038-13-2","logHenry":-9.729,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6724,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.865,"logWSol.Reference":"EPA-CCD-OPERA","MP":130,"MP.Reference":"EPA-CCD-OPERA","MW":397.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56038-13-2"}
{"Compound":"Benzenamine, n-(1-ethylpropyl)-4,5-dimethyl-","CAS":"56038-89-2","CAS.Checksum":true,"DTXSID":"DTXSID4028040","Formula":"C13H21N","All.Compound.Names":"Benzenamine, n-(1-ethylpropyl)-4,5-dimethyl-|N-(1-ethylpropyl)-3,4-xylidine|Dtxsid4028040|56038-89-2","logHenry":-4.94,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.631,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.137,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.567,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.28,"MP.Reference":"EPA-CCD-OPERA","MW":191.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56038-89-2"}
{"Compound":"Terbufos sulfone","CAS":"56070-16-7","CAS.Checksum":true,"DTXSID":"DTXSID1042443","Formula":"C9H21O4PS3","All.Compound.Names":"Terbufos sulfone|Dtxsid1042443","logHenry":-6.327,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.479,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.122,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.9,"logWSol.Reference":"EPA-CCD-OPERA","MP":10.31,"MP.Reference":"EPA-CCD-OPERA","MW":320.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56070-16-7"}
{"Compound":"3,6-diacetylmorphine","CAS":"561-27-3","CAS.Checksum":true,"DTXSID":"DTXSID6046761","Formula":"C21H23NO5","All.Compound.Names":"3,6-diacetylmorphine|561-27-3|Dtxsid6046761","logHenry":-8.857,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.581,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.087,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.797,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.1,"MP.Reference":"EPA-CCD-OPERA","MW":369.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"561-27-3"}
{"Compound":"Securinine","CAS":"5610-40-2","CAS.Checksum":true,"DTXSID":"DTXSID7045944","Formula":"C13H15NO2","All.Compound.Names":"Securinine|Dtxsid7045944|5610-40-2","logHenry":-8.425,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.664,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.75,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.542,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.28,"MP.Reference":"EPA-CCD-OPERA","MW":217.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5610-40-2"}
{"Compound":"Triamcinolone hexacetonide","CAS":"5611-51-8","CAS.Checksum":true,"DTXSID":"DTXSID0048634","Formula":"C30H41FO7","All.Compound.Names":"Triamcinolone hexacetonide|Dtxsid0048634|5611-51-8","logHenry":-10.11,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.841,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.385,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.122,"logWSol.Reference":"EPA-CCD-OPERA","MP":294.9,"MP.Reference":"EPA-CCD-OPERA","MW":532.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5611-51-8"}
{"Compound":"Valrubicin","CAS":"56124-62-0","CAS.Checksum":true,"DTXSID":"DTXSID9046497","Formula":"C34H36F3NO13","All.Compound.Names":"Valrubicin|56124-62-0|Dtxsid9046497","logHenry":-10.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.663,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.875,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.139,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.9,"MP.Reference":"EPA-CCD-OPERA","MW":723.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"56124-62-0"}
{"Compound":"4,4'-propane-2,2-diylbis(2,6-dimethylphenol)","CAS":"5613-46-7","CAS.Checksum":true,"DTXSID":"DTXSID8047973","Formula":"C19H24O2","All.Compound.Names":"4,4'-propane-2,2-diylbis(2,6-dimethylphenol)|Dtxsid8047973|5613-46-7","logHenry":-6.461,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.928,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.281,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.742,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.8,"MP.Reference":"EPA-CCD-OPERA","MW":284.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5613-46-7"}
{"Compound":"2-ethoxy-5-fluorouracil","CAS":"56177-80-1","CAS.Checksum":true,"DTXSID":"DTXSID8057776","Formula":"C6H7FN2O2","All.Compound.Names":"2-ethoxy-5-fluorouracil|Dtxsid8057776|56177-80-1","logHenry":-7.227,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1724,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.041,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8561,"logWSol.Reference":"EPA-CCD-OPERA","MP":81.28,"MP.Reference":"EPA-CCD-OPERA","MW":158.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56177-80-1"}
{"Compound":"Doxylamine succinate","CAS":"562-10-7","CAS.Checksum":true,"DTXSID":"DTXSID7020552","Formula":"C21H28N2O5","All.Compound.Names":"Doxylamine succinate|Dtxsid7020552|562-10-7","logHenry":-6.27,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.68,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.184,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.082,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.2,"MP.Reference":"EPA-CCD-OPERA","MW":388.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"562-10-7"}
{"Compound":"Pentane,3,3-dimethyl-","CAS":"562-49-2","CAS.Checksum":true,"DTXSID":"DTXSID0049319","Formula":"C7H16","All.Compound.Names":"Pentane,3,3-dimethyl-|3,3-dimethylpentane|Dtxsid0049319","logHenry":-0.3705,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.791,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5223,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.234,"logWSol.Reference":"EPA-CCD-OPERA","MP":-129.1,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"562-49-2"}
{"Compound":"4-methyl-1-(propan-2-yl)cyclohex-3-en-1-ol","CAS":"562-74-3","CAS.Checksum":true,"DTXSID":"DTXSID4044824","Formula":"C10H18O","All.Compound.Names":"4-methyl-1-(propan-2-yl)cyclohex-3-en-1-ol|Dtxsid4044824|4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol|562-74-3","logHenry":-5.544,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.258,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.898,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.941,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.31,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"562-74-3"}
{"Compound":"Clobenztropine","CAS":"5627-46-3","CAS.Checksum":true,"DTXSID":"DTXSID5043897","Formula":"C21H24ClNO","All.Compound.Names":"Clobenztropine|Dtxsid5043897|5627-46-3","logHenry":-6.117,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.069,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.926,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.88,"MP.Reference":"EPA-CCD-OPERA","MW":341.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5627-46-3"}
{"Compound":"Trimethylsilyl silicate","CAS":"56275-01-5","CAS.Checksum":true,"DTXSID":"DTXSID9044958","All.Compound.Names":"Trimethylsilyl silicate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56275-01-5"}
{"Compound":"Afloqualone","CAS":"56287-74-2","CAS.Checksum":true,"DTXSID":"DTXSID5022562","Formula":"C16H14FN3O","All.Compound.Names":"Afloqualone|Dtxsid5022562|56287-74-2","logHenry":-10.11,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.659,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.256,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.31,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.5,"MP.Reference":"EPA-CCD-OPERA","MW":283.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56287-74-2"}
{"Compound":"Fluoxetine hydrochloride","CAS":"56296-78-7","CAS.Checksum":true,"DTXSID":"DTXSID7020635","Formula":"C17H19ClF3NO","All.Compound.Names":"Fluoxetine hydrochloride|Dtxsid7020635|56296-78-7","logHenry":-7.506,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7684,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.025,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.712,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.7,"MP.Reference":"EPA-CCD-OPERA","MW":345.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"12.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56296-78-7"}
{"Compound":"Tri-m-cresyl phosphate","CAS":"563-04-2","CAS.Checksum":true,"DTXSID":"DTXSID4026216","Formula":"C21H21O4P","All.Compound.Names":"Tri-m-cresyl phosphate|Phosphoric acid, tris(3-methylphenyl) ester|Dtxsid4026216","logHenry":-4.083,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.135,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.568,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.201,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.39,"MP.Reference":"EPA-CCD-OPERA","MW":368.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"563-04-2"}
{"Compound":"Semicarbazide hydrochloride","CAS":"563-41-7","CAS.Checksum":true,"DTXSID":"DTXSID4020244","Formula":"CH6ClN3O","All.Compound.Names":"Semicarbazide hydrochloride|Dtxsid4020244|563-41-7","logHenry":-8.296,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.964,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.134,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1137,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.5,"MP.Reference":"EPA-CCD-OPERA","MW":111.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"563-41-7"}
{"Compound":"3-chloro-2-methylpropene","CAS":"563-47-3","CAS.Checksum":true,"DTXSID":"DTXSID1020279","Formula":"C4H7Cl","All.Compound.Names":"3-chloro-2-methylpropene|Dtxsid1020279","logHenry":-3.514,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.13,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.803,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.81,"logWSol.Reference":"EPA-CCD-OPERA","MP":-81.75,"MP.Reference":"EPA-CCD-OPERA","MW":90.55,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"563-47-3"}
{"Compound":"1,1-dichloropropene","CAS":"563-58-6","CAS.Checksum":true,"DTXSID":"DTXSID1029910","Formula":"C3H4Cl2","All.Compound.Names":"1,1-dichloropropene|Dtxsid1029910","logHenry":-3.326,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.045,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.218,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.683,"logWSol.Reference":"EPA-CCD-OPERA","MP":-53.92,"MP.Reference":"EPA-CCD-OPERA","MW":111,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"563-58-6"}
{"Compound":"Thallium acetate","CAS":"563-68-8","CAS.Checksum":true,"DTXSID":"DTXSID6024331","Formula":"C2H3O2Tl","All.Compound.Names":"Thallium acetate|Thallium(i) acetate|Dtxsid6024331|563-68-8","logHenry":-6.998,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.628,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.859,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.1,"MP.Reference":"EPA-CCD-OPERA","MW":263.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"563-68-8"}
{"Compound":"Ethanedioic acid, calcium salt (1:1)","CAS":"563-72-4","CAS.Checksum":true,"DTXSID":"DTXSID6027214","Formula":"C2CaO4","All.Compound.Names":"Ethanedioic acid, calcium salt (1:1)|Ethanedioic acid, calcium salt|Dtxsid6027214|563-72-4","logHenry":-9.843,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.408,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.892,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2808,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.3,"MP.Reference":"EPA-CCD-OPERA","MW":128.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"563-72-4"}
{"Compound":"3-methyl-2-butanone","CAS":"563-80-4","CAS.Checksum":true,"DTXSID":"DTXSID0022062","Formula":"C5H10O","All.Compound.Names":"3-methyl-2-butanone|Dtxsid0022062","logHenry":-4.149,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8414,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.885,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1422,"logWSol.Reference":"EPA-CCD-OPERA","MP":-88.43,"MP.Reference":"EPA-CCD-OPERA","MW":86.13,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"563-80-4"}
{"Compound":"Tibolone","CAS":"5630-53-5","CAS.Checksum":true,"DTXSID":"DTXSID5023667","Formula":"C21H28O2","All.Compound.Names":"Tibolone|Dtxsid5023667|5630-53-5","logHenry":-6.914,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.074,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.1,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.84,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.3,"MP.Reference":"EPA-CCD-OPERA","MW":312.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5630-53-5"}
{"Compound":"N-nitrosopiperazine","CAS":"5632-47-3","CAS.Checksum":true,"DTXSID":"DTXSID9021059","Formula":"C4H9N3O","All.Compound.Names":"N-nitrosopiperazine|Dtxsid9021059|5632-47-3","logHenry":-6.428,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1782,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.027,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9787,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.6,"MP.Reference":"EPA-CCD-OPERA","MW":115.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5632-47-3"}
{"Compound":"1-(4-fluorophenyl)-4-oxocyclohexanecarbonitrile","CAS":"56326-98-8","CAS.Checksum":true,"DTXSID":"DTXSID3057777","Formula":"C13H12FNO","All.Compound.Names":"1-(4-fluorophenyl)-4-oxocyclohexanecarbonitrile|Dtxsid3057777","logHenry":-8.426,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.65,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.862,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.861,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.9,"MP.Reference":"EPA-CCD-OPERA","MW":217.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56326-98-8"}
{"Compound":"Tocanfil","CAS":"5634-42-4","CAS.Checksum":true,"DTXSID":"DTXSID8057778","Formula":"C23H37NO6","All.Compound.Names":"Tocanfil|Tocamphyl|Dtxsid8057778|5634-42-4","logHenry":-9.057,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5668,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.95,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.2,"MP.Reference":"EPA-CCD-OPERA","MW":423.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5634-42-4"}
{"Compound":"N,n-dibutyl-n-methylbutan-1-aminium chloride","CAS":"56375-79-2","CAS.Checksum":true,"DTXSID":"DTXSID5044443","Formula":"C13H30ClN","All.Compound.Names":"N,n-dibutyl-n-methylbutan-1-aminium chloride|Dtxsid5044443|56375-79-2","logHenry":-1.177,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.074,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.849,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.156,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.3,"MP.Reference":"EPA-CCD-OPERA","MW":235.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56375-79-2"}
{"Compound":"Netilmicin sulfate","CAS":"56391-57-2","CAS.Checksum":true,"DTXSID":"DTXSID8045484","Formula":"C42H92N10O34S5","All.Compound.Names":"Netilmicin sulfate|Dtxsid8045484|56391-57-2","logHenry":-10.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6404,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.932,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.726,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.8,"MP.Reference":"EPA-CCD-OPERA","MW":1442,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.42","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56391-57-2"}
{"Compound":"Metoprolol tartrate","CAS":"56392-17-7","CAS.Checksum":true,"DTXSID":"DTXSID9037248","Formula":"C34H56N2O12","All.Compound.Names":"Metoprolol tartrate|Dtxsid9037248|56392-17-7","logHenry":-7.568,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7879,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.611,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.203,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.6,"MP.Reference":"EPA-CCD-OPERA","MW":684.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56392-17-7"}
{"Compound":"(3ar)-(+)-sclareolide","CAS":"564-20-5","CAS.Checksum":true,"DTXSID":"DTXSID8047686","Formula":"C16H26O2","All.Compound.Names":"(3ar)-(+)-sclareolide|Dtxsid8047686","logHenry":-7.122,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.021,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.392,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.633,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.25,"MP.Reference":"EPA-CCD-OPERA","MW":250.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"564-20-5"}
{"Compound":"Flurprimidol","CAS":"56425-91-3","CAS.Checksum":true,"DTXSID":"DTXSID3024108","Formula":"C15H15F3N2O2","All.Compound.Names":"Flurprimidol|Dtxsid3024108|56425-91-3","logHenry":-8.087,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.34,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.282,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.438,"logWSol.Reference":"EPA-CCD-OPERA","MP":95,"MP.Reference":"EPA-CCD-OPERA","MW":312.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56425-91-3"}
{"Compound":"3-methyl-2-pentanone","CAS":"565-61-7","CAS.Checksum":true,"DTXSID":"DTXSID4021634","Formula":"C6H12O","All.Compound.Names":"3-methyl-2-pentanone|Dtxsid4021634","logHenry":-4.254,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.51,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.074,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6799,"logWSol.Reference":"EPA-CCD-OPERA","MP":-65.34,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"565-61-7"}
{"Compound":"3-penten-2-one, 3-methyl-","CAS":"565-62-8","CAS.Checksum":true,"DTXSID":"DTXSID4041490","Formula":"C6H10O","All.Compound.Names":"3-penten-2-one, 3-methyl-|3-methyl-3-penten-2-one|Dtxsid4041490","logHenry":-4.687,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.078,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.285,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6933,"logWSol.Reference":"EPA-CCD-OPERA","MP":-63.52,"MP.Reference":"EPA-CCD-OPERA","MW":98.14,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"565-62-8"}
{"Compound":"2,4-dimethylpentan-3-one","CAS":"565-80-0","CAS.Checksum":true,"DTXSID":"DTXSID3038771","Formula":"C7H14O","All.Compound.Names":"2,4-dimethylpentan-3-one|Dtxsid3038771","logHenry":-4.057,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.86,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.017,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.298,"logWSol.Reference":"EPA-CCD-OPERA","MP":-67.79,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"565-80-0"}
{"Compound":"Diketometribuzin","CAS":"56507-37-0","CAS.Checksum":true,"DTXSID":"DTXSID9037616","Formula":"C7H12N4O2","All.Compound.Names":"Diketometribuzin|Dtxsid9037616|56507-37-0","logHenry":-8.253,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3444,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.103,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.047,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.2,"MP.Reference":"EPA-CCD-OPERA","MW":184.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56507-37-0"}
{"Compound":"1-butyl-1-methylpyrrolidinium iodide","CAS":"56511-17-2","CAS.Checksum":true,"DTXSID":"DTXSID7047938","Formula":"C9H20IN","All.Compound.Names":"1-butyl-1-methylpyrrolidinium iodide|Dtxsid7047938|56511-17-2","logHenry":-1.157,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.675,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.83,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.356,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.2,"MP.Reference":"EPA-CCD-OPERA","MW":269.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56511-17-2"}
{"Compound":"1-methyl-1-propylpyrrolidinium iodide","CAS":"56511-19-4","CAS.Checksum":true,"DTXSID":"DTXSID9049320","Formula":"C8H18IN","All.Compound.Names":"1-methyl-1-propylpyrrolidinium iodide|Dtxsid9049320|56511-19-4","logHenry":-1.101,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.738,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.131,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.00873,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.5,"MP.Reference":"EPA-CCD-OPERA","MW":255.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56511-19-4"}
{"Compound":"3-methoxy-3-methylbutan-1-ol","CAS":"56539-66-3","CAS.Checksum":true,"DTXSID":"DTXSID8044389","Formula":"C6H14O2","All.Compound.Names":"3-methoxy-3-methylbutan-1-ol|Dtxsid8044389|56539-66-3","logHenry":-6.075,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7312,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.932,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1509,"logWSol.Reference":"EPA-CCD-OPERA","MP":-35.43,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"13.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56539-66-3"}
{"Compound":"(-)bronyl acetate","CAS":"5655-61-8","CAS.Checksum":true,"DTXSID":"DTXSID3052228","Formula":"C12H20O2","All.Compound.Names":"(-)bronyl acetate|(-)bornyl acetate|Dtxsid3052228","logHenry":-3.287,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.299,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.573,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.72,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.15,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5655-61-8"}
{"Compound":"(e)-5-decen-1-ol","CAS":"56578-18-8","CAS.Checksum":true,"DTXSID":"DTXSID7035305","Formula":"C10H20O","All.Compound.Names":"(e)-5-decen-1-ol|Dtxsid7035305|56578-18-8","logHenry":-4.759,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.641,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.895,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.932,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.632,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56578-18-8"}
{"Compound":"4-hydroxyandrostenedione","CAS":"566-48-3","CAS.Checksum":true,"DTXSID":"DTXSID3034113","Formula":"C19H26O3","All.Compound.Names":"4-hydroxyandrostenedione|Dtxsid3034113","logHenry":-6.578,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.086,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.729,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.884,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.4,"MP.Reference":"EPA-CCD-OPERA","MW":302.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"566-48-3"}
{"Compound":"Acetylsalicylamide","CAS":"5663-71-8","CAS.Checksum":true,"DTXSID":"DTXSID9046108","Formula":"C9H9NO3","All.Compound.Names":"Acetylsalicylamide|2-(aminocarbonyl)phenyl acetate|Dtxsid9046108|5663-71-8","logHenry":-7.17,"logHenry.Reference":"OPERA29","logP":1.07,"logP.Reference":"OPERA29","logWSol":-1.8,"logWSol.Reference":"OPERA29","MP":144,"MP.Reference":"OPERA29","MW":179.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5663-71-8"}
{"Compound":"R-(+)-atenolol","CAS":"56715-13-0","CAS.Checksum":true,"DTXSID":"DTXSID0045753","Formula":"C14H22N2O3","All.Compound.Names":"R-(+)-atenolol|Dtxsid0045753|56715-13-0","logHenry":-9.512,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1596,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.068,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.28,"logWSol.Reference":"EPA-CCD-OPERA","MP":147,"MP.Reference":"EPA-CCD-OPERA","MW":266.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56715-13-0"}
{"Compound":"2,3-epoxypropyl 4-(2-methoxyethyl)phenyl ether","CAS":"56718-70-8","CAS.Checksum":true,"DTXSID":"DTXSID3057779","Formula":"C12H16O3","All.Compound.Names":"2,3-epoxypropyl 4-(2-methoxyethyl)phenyl ether|Dtxsid3057779","logHenry":-5.207,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.513,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.538,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.541,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.53,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56718-70-8"}
{"Compound":"Bropirimine","CAS":"56741-95-8","CAS.Checksum":true,"DTXSID":"DTXSID5046803","Formula":"C10H8BrN3O","All.Compound.Names":"Bropirimine|Dtxsid5046803|56741-95-8","logHenry":-9.095,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.331,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.132,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.21,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.6,"MP.Reference":"EPA-CCD-OPERA","MW":266.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56741-95-8"}
{"Compound":"Tulobuterol hydrochloride","CAS":"56776-01-3","CAS.Checksum":true,"DTXSID":"DTXSID3045805","Formula":"C12H19Cl2NO","All.Compound.Names":"Tulobuterol hydrochloride|Dtxsid3045805|56776-01-3","logHenry":-6.268,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.03069,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.129,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.734,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.9,"MP.Reference":"EPA-CCD-OPERA","MW":264.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56776-01-3"}
{"Compound":"Cefmetazole sodium","CAS":"56796-39-5","CAS.Checksum":true,"DTXSID":"DTXSID5045590","Formula":"C15H16N7NaO5S3","All.Compound.Names":"Cefmetazole sodium|Dtxsid5045590|56796-39-5","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2152,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.894,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.854,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.1,"MP.Reference":"EPA-CCD-OPERA","MW":493.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.2","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56796-39-5"}
{"Compound":"Tert-butylphenyl diphenyl phosphate","CAS":"56803-37-3","CAS.Checksum":true,"DTXSID":"DTXSID6024701","All.Compound.Names":"Tert-butylphenyl diphenyl phosphate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56803-37-3"}
{"Compound":"Eperisone hydrochloride","CAS":"56839-43-1","CAS.Checksum":true,"DTXSID":"DTXSID8047844","Formula":"C17H26ClNO","All.Compound.Names":"Eperisone hydrochloride|Dtxsid8047844|56839-43-1","logHenry":-7.732,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.256,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.608,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.188,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.7,"MP.Reference":"EPA-CCD-OPERA","MW":295.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56839-43-1"}
{"Compound":"Penthrichloral","CAS":"5684-90-2","CAS.Checksum":true,"DTXSID":"DTXSID7046251","Formula":"C7H11Cl3O4","All.Compound.Names":"Penthrichloral|Dtxsid7046251|5684-90-2","logHenry":-6.295,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.209,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.873,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1936,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.1,"MP.Reference":"EPA-CCD-OPERA","MW":265.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5684-90-2"}
{"Compound":"3,4,5-trimethoxyamphetamine hydrochloride","CAS":"5688-80-2","CAS.Checksum":true,"DTXSID":"DTXSID6048880","Formula":"C12H20ClNO3","All.Compound.Names":"3,4,5-trimethoxyamphetamine hydrochloride|Dtxsid6048880|5688-80-2","logHenry":-8.851,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1271,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.318,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.696,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.5,"MP.Reference":"EPA-CCD-OPERA","MW":261.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5688-80-2"}
{"Compound":"Malachite green","CAS":"569-64-2","CAS.Checksum":true,"DTXSID":"DTXSID1025512","Formula":"C23H25ClN2","All.Compound.Names":"Malachite green|Dtxsid1025512|569-64-2","logHenry":-5.693,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6202,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.96,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.11,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.6,"MP.Reference":"EPA-CCD-OPERA","MW":364.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"569-64-2"}
{"Compound":"Fluretofene","CAS":"56917-29-4","CAS.Checksum":true,"DTXSID":"DTXSID2057780","Formula":"C14H9F","All.Compound.Names":"Fluretofene|Dtxsid2057780","logHenry":-3.946,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.085,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.659,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.505,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.21,"MP.Reference":"EPA-CCD-OPERA","MW":196.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56917-29-4"}
{"Compound":"Gabexate mesilate","CAS":"56974-61-9","CAS.Checksum":true,"DTXSID":"DTXSID0045591","Formula":"C17H27N3O7S","All.Compound.Names":"Gabexate mesilate|Dtxsid0045591|56974-61-9","logHenry":-9.174,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4612,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.772,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9915,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.8,"MP.Reference":"EPA-CCD-OPERA","MW":417.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56974-61-9"}
{"Compound":"Allyl isothiocyanate","CAS":"57-06-7","CAS.Checksum":true,"DTXSID":"DTXSID3020047","Formula":"C4H5NS","All.Compound.Names":"Allyl isothiocyanate|Dtxsid3020047|57-06-7","logHenry":-5.019,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.141,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.118,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.692,"logWSol.Reference":"EPA-CCD-OPERA","MP":-79.82,"MP.Reference":"EPA-CCD-OPERA","MW":99.15,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57-06-7"}
{"Compound":"Acexamic acid","CAS":"57-08-9","CAS.Checksum":true,"DTXSID":"DTXSID1045879","Formula":"C8H15NO3","All.Compound.Names":"Acexamic acid|Dtxsid1045879|57-08-9","logHenry":-9.212,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2106,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.154,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7428,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.5,"MP.Reference":"EPA-CCD-OPERA","MW":173.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57-08-9"}
{"Compound":"Hexadecyltrimethylammonium bromide","CAS":"57-09-0","CAS.Checksum":true,"DTXSID":"DTXSID5037028","Formula":"C19H42BrN","All.Compound.Names":"Hexadecyltrimethylammonium bromide|Dtxsid5037028|57-09-0","logHenry":-5.262,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.138,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.664,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.234,"logWSol.Reference":"EPA-CCD-OPERA","MP":239.3,"MP.Reference":"EPA-CCD-OPERA","MW":364.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57-09-0"}
{"Compound":"Hexadecanoic acid","CAS":"57-10-3","CAS.Checksum":true,"DTXSID":"DTXSID2021602","Formula":"C16H32O2","All.Compound.Names":"Hexadecanoic acid|Dtxsid2021602|57-10-3","logHenry":-8.359,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.17,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.743,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.806,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.68,"MP.Reference":"EPA-CCD-OPERA","MW":256.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57-10-3"}
{"Compound":"Octadecanoic acid","CAS":"57-11-4","CAS.Checksum":true,"DTXSID":"DTXSID8021642","Formula":"C18H36O2","All.Compound.Names":"Octadecanoic acid|Dtxsid8021642|57-11-4","logHenry":-7.177,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.392,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.681,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.7,"MP.Reference":"EPA-CCD-OPERA","MW":284.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57-11-4"}
{"Compound":"Urea","CAS":"57-13-6","CAS.Checksum":true,"DTXSID":"DTXSID4021426","Formula":"CH4N2O","All.Compound.Names":"Urea|Dtxsid4021426|57-13-6","logHenry":-8.264,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.883,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.24,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9631,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.7,"MP.Reference":"EPA-CCD-OPERA","MW":60.06,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"7.59,3.37,17.1","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"57-13-6"}
{"Compound":"1,1-dimethylhydrazine","CAS":"57-14-7","CAS.Checksum":true,"DTXSID":"DTXSID1020516","Formula":"C2H8N2","All.Compound.Names":"1,1-dimethylhydrazine|Dtxsid1020516|57-14-7","logHenry":-5.903,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.746,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.436,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.221,"logWSol.Reference":"EPA-CCD-OPERA","MP":-57.96,"MP.Reference":"EPA-CCD-OPERA","MW":60.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57-14-7"}
{"Compound":"1,1,1-trichloro-2-methyl-2-propanol","CAS":"57-15-8","CAS.Checksum":true,"DTXSID":"DTXSID1041217","Formula":"C4H7Cl3O","All.Compound.Names":"1,1,1-trichloro-2-methyl-2-propanol|Dtxsid1041217|57-15-8","logHenry":-5.435,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.031,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.889,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.342,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.95,"MP.Reference":"EPA-CCD-OPERA","MW":177.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57-15-8"}
{"Compound":"Nalorphine hydrochloride","CAS":"57-29-4","CAS.Checksum":true,"DTXSID":"DTXSID3047847","Formula":"C19H22ClNO3","All.Compound.Names":"Nalorphine hydrochloride|Dtxsid3047847|57-29-4","logHenry":-10.14,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5124,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.782,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.462,"logWSol.Reference":"EPA-CCD-OPERA","MP":252.7,"MP.Reference":"EPA-CCD-OPERA","MW":347.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57-29-4"}
{"Compound":"Metepa","CAS":"57-39-6","CAS.Checksum":true,"DTXSID":"DTXSID5020815","Formula":"C9H18N3OP","All.Compound.Names":"Metepa|Dtxsid5020815|57-39-6","logHenry":-3.857,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8373,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.466,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5268,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.47,"MP.Reference":"EPA-CCD-OPERA","MW":215.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57-39-6"}
{"Compound":"D-fructose","CAS":"57-48-7","CAS.Checksum":true,"DTXSID":"DTXSID5023081","Formula":"C6H12O6","All.Compound.Names":"D-fructose|57-48-7|Dtxsid5023081","logHenry":-9.571,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.551,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.76,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6392,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.9,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"57-48-7"}
{"Compound":"Sucrose","CAS":"57-50-1","CAS.Checksum":true,"DTXSID":"DTXSID2021288","Formula":"C12H22O11","All.Compound.Names":"Sucrose|Dtxsid2021288|57-50-1","logHenry":-10.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.699,"logP.Reference":"EPA-CCD-OPERA","logPwa":13.27,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7859,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.5,"MP.Reference":"EPA-CCD-OPERA","MW":342.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57-50-1"}
{"Compound":"1,2-propylene glycol","CAS":"57-55-6","CAS.Checksum":true,"DTXSID":"DTXSID0021206","Formula":"C3H8O2","All.Compound.Names":"1,2-propylene glycol|Dtxsid0021206|57-55-6","logHenry":-7.218,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9189,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.656,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.119,"logWSol.Reference":"EPA-CCD-OPERA","MP":-59.81,"MP.Reference":"EPA-CCD-OPERA","MW":76.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57-55-6"}
{"Compound":"Beta-propiolactone","CAS":"57-57-8","CAS.Checksum":true,"DTXSID":"DTXSID8021197","Formula":"C3H4O2","All.Compound.Names":"Beta-propiolactone|Dtxsid8021197","logHenry":-7.534,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7212,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.902,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7103,"logWSol.Reference":"EPA-CCD-OPERA","MP":-33.26,"MP.Reference":"EPA-CCD-OPERA","MW":72.06,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57-57-8"}
{"Compound":"Sulfaguanidine","CAS":"57-67-0","CAS.Checksum":true,"DTXSID":"DTXSID1023609","Formula":"C7H10N4O2S","All.Compound.Names":"Sulfaguanidine|Dtxsid1023609|57-67-0","logHenry":-9.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.217,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.398,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.989,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.5,"MP.Reference":"EPA-CCD-OPERA","MW":214.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57-67-0"}
{"Compound":"Chlordane","CAS":"57-74-9","CAS.Checksum":true,"DTXSID":"DTXSID7020267","Formula":"C10H6Cl8","All.Compound.Names":"Chlordane|Dtxsid7020267","logHenry":-3.535,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.12,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.874,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.611,"logWSol.Reference":"EPA-CCD-OPERA","MP":106,"MP.Reference":"EPA-CCD-OPERA","MW":409.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57-74-9"}
{"Compound":"Cholesterol","CAS":"57-88-5","CAS.Checksum":true,"DTXSID":"DTXSID3022401","Formula":"C27H46O","All.Compound.Names":"Cholesterol|Dtxsid3022401|57-88-5","logHenry":-7.465,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.258,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.158,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.606,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.9,"MP.Reference":"EPA-CCD-OPERA","MW":386.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57-88-5"}
{"Compound":"1,2-ethanediamine dihydriodide","CAS":"5700-49-2","CAS.Checksum":true,"DTXSID":"DTXSID5044570","Formula":"C2H10I2N2","All.Compound.Names":"1,2-ethanediamine dihydriodide|1,2-ethanediamine dihydroiodide|Dtxsid5044570|5700-49-2","logHenry":-8.759,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.335,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.037,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.221,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.7,"MP.Reference":"EPA-CCD-OPERA","MW":315.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5700-49-2"}
{"Compound":"Tolclofos-methyl","CAS":"57018-04-9","CAS.Checksum":true,"DTXSID":"DTXSID0034776","Formula":"C9H11Cl2O3PS","All.Compound.Names":"Tolclofos-methyl|Dtxsid0034776","logHenry":-5.328,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.559,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.438,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.573,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.92,"MP.Reference":"EPA-CCD-OPERA","MW":301.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57018-04-9"}
{"Compound":"1-tert-butoxy-2-propanol","CAS":"57018-52-7","CAS.Checksum":true,"DTXSID":"DTXSID8025967","Formula":"C7H16O2","All.Compound.Names":"1-tert-butoxy-2-propanol|Dtxsid8025967|57018-52-7","logHenry":-5.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.226,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.574,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.02146,"logWSol.Reference":"EPA-CCD-OPERA","MP":-40.98,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57018-52-7"}
{"Compound":"1,4-dimethylnaphthalene","CAS":"571-58-4","CAS.Checksum":true,"DTXSID":"DTXSID8035423","Formula":"C12H12","All.Compound.Names":"1,4-dimethylnaphthalene|Dtxsid8035423","logHenry":-2.936,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.367,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.422,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.138,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.768,"MP.Reference":"EPA-CCD-OPERA","MW":156.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"571-58-4"}
{"Compound":"Bromebric acid","CAS":"5711-40-0","CAS.Checksum":true,"DTXSID":"DTXSID9046231","Formula":"C11H9BrO4","All.Compound.Names":"Bromebric acid|Dtxsid9046231|5711-40-0","logHenry":-8.275,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.68,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.133,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.423,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.4,"MP.Reference":"EPA-CCD-OPERA","MW":285.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5711-40-0"}
{"Compound":"3-{[3-(aziridin-1-yl)propanoyl]oxy}-2-({[3-(aziridin-1-yl)propanoyl]oxy}methyl)-2-(hydroxymethyl)propyl 3-(aziridin-1-yl)propanoate","CAS":"57116-45-7","CAS.Checksum":true,"DTXSID":"DTXSID6044696","Formula":"C20H33N3O7","All.Compound.Names":"3-{[3-(aziridin-1-yl)propanoyl]oxy}-2-({[3-(aziridin-1-yl)propanoyl]oxy}methyl)-2-(hydroxymethyl)propyl 3-(aziridin-1-yl)propanoate|Dtxsid6044696|57116-45-7","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6984,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.05,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.548,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.3,"MP.Reference":"EPA-CCD-OPERA","MW":427.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57116-45-7"}
{"Compound":"Proglumetacin","CAS":"57132-53-3","CAS.Checksum":true,"DTXSID":"DTXSID0048842","Formula":"C46H58ClN5O8","All.Compound.Names":"Proglumetacin|Dtxsid0048842|57132-53-3","logHenry":-7.937,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.666,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.133,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.985,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.4,"MP.Reference":"EPA-CCD-OPERA","MW":844.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57132-53-3"}
{"Compound":"Acetophenazine dimaleate","CAS":"5714-00-1","CAS.Checksum":true,"DTXSID":"DTXSID7047851","Formula":"C31H37N3O10S","All.Compound.Names":"Acetophenazine dimaleate|Dtxsid7047851|5714-00-1","logHenry":-9.644,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6668,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.612,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.949,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.9,"MP.Reference":"EPA-CCD-OPERA","MW":643.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5714-00-1"}
{"Compound":"Levopropoxyphene napsylate","CAS":"5714-90-9","CAS.Checksum":true,"DTXSID":"DTXSID8045563","Formula":"C32H37NO5S","All.Compound.Names":"Levopropoxyphene napsylate|Dtxsid8045563|5714-90-9","logHenry":-7.414,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8463,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.732,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.985,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.1,"MP.Reference":"EPA-CCD-OPERA","MW":547.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5714-90-9"}
{"Compound":"Testosterone decanoate","CAS":"5721-91-5","CAS.Checksum":true,"DTXSID":"DTXSID5046198","Formula":"C29H46O3","All.Compound.Names":"Testosterone decanoate|Dtxsid5046198","logHenry":-6.974,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.433,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.251,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.113,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.1,"MP.Reference":"EPA-CCD-OPERA","MW":442.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5721-91-5"}
{"Compound":"Felbinac","CAS":"5728-52-9","CAS.Checksum":true,"DTXSID":"DTXSID0045389","Formula":"C14H12O2","All.Compound.Names":"Felbinac|Dtxsid0045389|5728-52-9","logHenry":-8.076,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.209,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.355,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.135,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.8,"MP.Reference":"EPA-CCD-OPERA","MW":212.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5728-52-9"}
{"Compound":"9-bromophenanthrene","CAS":"573-17-1","CAS.Checksum":true,"DTXSID":"DTXSID4049321","Formula":"C14H9Br","All.Compound.Names":"9-bromophenanthrene|Dtxsid4049321","logHenry":-3.732,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.006,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.775,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.795,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.84,"MP.Reference":"EPA-CCD-OPERA","MW":257.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"573-17-1"}
{"Compound":"Acetomenaphthone","CAS":"573-20-6","CAS.Checksum":true,"DTXSID":"DTXSID4046236","Formula":"C15H14O4","All.Compound.Names":"Acetomenaphthone|Dtxsid4046236","logHenry":-7.516,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.232,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.386,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.471,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.8,"MP.Reference":"EPA-CCD-OPERA","MW":258.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"573-20-6"}
{"Compound":"C.i. direct red 28","CAS":"573-58-0","CAS.Checksum":true,"DTXSID":"DTXSID4022816","Formula":"C32H22N6Na2O6S2","All.Compound.Names":"C.i. direct red 28|Dtxsid4022816|573-58-0","logHenry":-12.16,"logHenry.Reference":"OPERA29","logP":-1.54,"logP.Reference":"OPERA29","logWSol":-0.78,"logWSol.Reference":"OPERA29","MP":360,"MP.Reference":"OPERA29","MW":696.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"573-58-0"}
{"Compound":"Benzoin acetate","CAS":"574-06-1","CAS.Checksum":true,"DTXSID":"DTXSID7024580","Formula":"C16H14O3","All.Compound.Names":"Benzoin acetate|Dtxsid7024580","logHenry":-7.558,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.041,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.738,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.932,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.74,"MP.Reference":"EPA-CCD-OPERA","MW":254.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"574-06-1"}
{"Compound":"Thioinosine","CAS":"574-25-4","CAS.Checksum":true,"DTXSID":"DTXSID5046019","Formula":"C11H13N3O4S","All.Compound.Names":"Thioinosine|Dtxsid5046019|574-25-4","logHenry":-9.53,"logHenry.Reference":"OPERA29","logP":-0.15,"logP.Reference":"OPERA29","logWSol":-2.22,"logWSol.Reference":"OPERA29","MP":184,"MP.Reference":"OPERA29","MW":283.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"574-25-4"}
{"Compound":"2,4-d, isopropylamine salt","CAS":"5742-17-6","CAS.Checksum":true,"DTXSID":"DTXSID8034241","Formula":"C11H15Cl2NO3","All.Compound.Names":"2,4-d, isopropylamine salt|Dtxsid8034241|5742-17-6","logHenry":-8.529,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.56,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.089,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.165,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.3,"MP.Reference":"EPA-CCD-OPERA","MW":280.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5742-17-6"}
{"Compound":"Cadmium acetate dihydrate","CAS":"5743-04-4","CAS.Checksum":true,"DTXSID":"DTXSID2033281","Formula":"C4H10CdO6","All.Compound.Names":"Cadmium acetate dihydrate|Dtxsid2033281|5743-04-4","logHenry":-6.998,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.796,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.026,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":260.1,"MP.Reference":"EPA-CCD-OPERA","MW":266.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5743-04-4"}
{"Compound":"Calcium l-ascorbate dihydrate","CAS":"5743-28-2","CAS.Checksum":true,"DTXSID":"DTXSID3047687","Formula":"C12H18CaO14","All.Compound.Names":"Calcium l-ascorbate dihydrate|Dtxsid3047687|5743-28-2","logHenry":-9.073,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.162,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3165,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.2,"MP.Reference":"EPA-CCD-OPERA","MW":426.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5743-28-2"}
{"Compound":"Calcium levulinate","CAS":"5743-49-7","CAS.Checksum":true,"DTXSID":"DTXSID8046539","Formula":"C10H18CaO8","All.Compound.Names":"Calcium levulinate|Dtxsid8046539|5743-49-7","logHenry":-7.126,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.97,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.886,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1936,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.3,"MP.Reference":"EPA-CCD-OPERA","MW":306.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5743-49-7"}
{"Compound":"Celiprolol hydrochloride","CAS":"57470-78-7","CAS.Checksum":true,"DTXSID":"DTXSID0046850","Formula":"C20H34ClN3O4","All.Compound.Names":"Celiprolol hydrochloride|Dtxsid0046850|57470-78-7","logHenry":-9.31,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5122,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.848,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.715,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.9,"MP.Reference":"EPA-CCD-OPERA","MW":416,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57470-78-7"}
{"Compound":"1,6-dimethylnaphthalene","CAS":"575-43-9","CAS.Checksum":true,"DTXSID":"DTXSID7022415","Formula":"C12H12","All.Compound.Names":"1,6-dimethylnaphthalene|Dtxsid7022415","logHenry":-2.801,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.919,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.87,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.103,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.77,"MP.Reference":"EPA-CCD-OPERA","MW":156.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"575-43-9"}
{"Compound":"Hydrocortisone valerate","CAS":"57524-89-7","CAS.Checksum":true,"DTXSID":"DTXSID9045633","Formula":"C26H38O6","All.Compound.Names":"Hydrocortisone valerate|Dtxsid9045633|57524-89-7","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.789,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.794,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.856,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.5,"MP.Reference":"EPA-CCD-OPERA","MW":446.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57524-89-7"}
{"Compound":"Amineptine","CAS":"57574-09-1","CAS.Checksum":true,"DTXSID":"DTXSID1048831","Formula":"C22H27NO2","All.Compound.Names":"Amineptine|Dtxsid1048831|57574-09-1","logHenry":-9.651,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.37,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.063,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.051,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.6,"MP.Reference":"EPA-CCD-OPERA","MW":337.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57574-09-1"}
{"Compound":"2,3-dichlorophenol","CAS":"576-24-9","CAS.Checksum":true,"DTXSID":"DTXSID7025001","Formula":"C6H4Cl2O","All.Compound.Names":"2,3-dichlorophenol|Dtxsid7025001|576-24-9","logHenry":-5.871,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.84,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.351,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.672,"logWSol.Reference":"EPA-CCD-OPERA","MP":58,"MP.Reference":"EPA-CCD-OPERA","MW":163,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"576-24-9"}
{"Compound":"Propane-1,3-diyl bis(4-aminobenzoate)","CAS":"57609-64-0","CAS.Checksum":true,"DTXSID":"DTXSID3044960","Formula":"C17H18N2O4","All.Compound.Names":"Propane-1,3-diyl bis(4-aminobenzoate)|1,3-propanediol, bis(4-aminobenzoate)|Dtxsid3044960|57609-64-0","logHenry":-10.92,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.101,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.253,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.713,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.2,"MP.Reference":"EPA-CCD-OPERA","MW":314.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57609-64-0"}
{"Compound":"Furalaxyl","CAS":"57646-30-7","CAS.Checksum":true,"DTXSID":"DTXSID4047543","Formula":"C17H19NO4","All.Compound.Names":"Furalaxyl|Dtxsid4047543|57646-30-7","logHenry":-8.347,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.61,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.971,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.126,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.97,"MP.Reference":"EPA-CCD-OPERA","MW":301.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57646-30-7"}
{"Compound":"Timiperone","CAS":"57648-21-2","CAS.Checksum":true,"DTXSID":"DTXSID9023673","Formula":"C22H24FN3OS","All.Compound.Names":"Timiperone|Dtxsid9023673|57648-21-2","logHenry":-10.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.415,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.92,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.085,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.9,"MP.Reference":"EPA-CCD-OPERA","MW":397.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57648-21-2"}
{"Compound":"Fenobam","CAS":"57653-26-6","CAS.Checksum":true,"DTXSID":"DTXSID5046770","Formula":"C11H11ClN4O2","All.Compound.Names":"Fenobam|N-(3-chlorophenyl)-n'-(4,5-dihydro-1-methyl-4-oxo-1h-imidazol-2-yl)urea|Dtxsid5046770|57653-26-6","logHenry":-10.33,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6494,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.598,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.291,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.4,"MP.Reference":"EPA-CCD-OPERA","MW":266.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.62","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57653-26-6"}
{"Compound":"Acetonitrile, 2,2',2'',2'''-(1,2-ethanediyldinitrilo)tetrakis-","CAS":"5766-67-6","CAS.Checksum":true,"DTXSID":"DTXSID9027603","Formula":"C10H12N6","All.Compound.Names":"Acetonitrile, 2,2',2'',2'''-(1,2-ethanediyldinitrilo)tetrakis-|(ethylenedinitrilo)tetraacetonitrile|Dtxsid9027603|5766-67-6","logHenry":-6.42,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7133,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.127,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4121,"logWSol.Reference":"EPA-CCD-OPERA","MP":128,"MP.Reference":"EPA-CCD-OPERA","MW":216.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5766-67-6"}
{"Compound":"2-nitroacetophenone","CAS":"577-59-3","CAS.Checksum":true,"DTXSID":"DTXSID6025723","Formula":"C8H7NO3","All.Compound.Names":"2-nitroacetophenone|Dtxsid6025723|577-59-3","logHenry":-6.484,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.282,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.976,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.976,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.46,"MP.Reference":"EPA-CCD-OPERA","MW":165.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"577-59-3"}
{"Compound":"Iodoalphionic acid","CAS":"577-91-3","CAS.Checksum":true,"DTXSID":"DTXSID6046131","Formula":"C15H12I2O3","All.Compound.Names":"Iodoalphionic acid|Dtxsid6046131|577-91-3","logHenry":-9.793,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.665,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.67,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.18,"logWSol.Reference":"EPA-CCD-OPERA","MP":164,"MP.Reference":"EPA-CCD-OPERA","MW":494.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"577-91-3"}
{"Compound":"5-methyl-2-nitroaniline","CAS":"578-46-1","CAS.Checksum":true,"DTXSID":"DTXSID2025634","Formula":"C7H8N2O2","All.Compound.Names":"5-methyl-2-nitroaniline|Dtxsid2025634|578-46-1","logHenry":-7.026,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.474,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.025,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.977,"logWSol.Reference":"EPA-CCD-OPERA","MP":99.11,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"578-46-1"}
{"Compound":"2-ethylaniline","CAS":"578-54-1","CAS.Checksum":true,"DTXSID":"DTXSID0042242","Formula":"C8H11N","All.Compound.Names":"2-ethylaniline|Dtxsid0042242|578-54-1","logHenry":-5.707,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.741,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.783,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.068,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.52,"MP.Reference":"EPA-CCD-OPERA","MW":121.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"578-54-1"}
{"Compound":"Closantel","CAS":"57808-65-8","CAS.Checksum":true,"DTXSID":"DTXSID6040662","Formula":"C22H14Cl2I2N2O2","All.Compound.Names":"Closantel|Dtxsid6040662|57808-65-8","logHenry":-8.2,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.752,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.95,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.258,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.8,"MP.Reference":"EPA-CCD-OPERA","MW":663.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57808-65-8"}
{"Compound":"Idarubicin hydrochloride","CAS":"57852-57-0","CAS.Checksum":true,"DTXSID":"DTXSID0047797","Formula":"C26H28ClNO9","All.Compound.Names":"Idarubicin hydrochloride|Dtxsid0047797|57852-57-0","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.519,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.99,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.7,"MP.Reference":"EPA-CCD-OPERA","MW":534,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57852-57-0"}
{"Compound":"Quipazine maleate","CAS":"5786-68-5","CAS.Checksum":true,"DTXSID":"DTXSID3045190","Formula":"C17H19N3O4","All.Compound.Names":"Quipazine maleate|Dtxsid3045190|5786-68-5","logHenry":-6.816,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6739,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.668,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.263,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.3,"MP.Reference":"EPA-CCD-OPERA","MW":329.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.11","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5786-68-5"}
{"Compound":"Cyclovalone","CAS":"579-23-7","CAS.Checksum":true,"DTXSID":"DTXSID7046386","Formula":"C22H22O5","All.Compound.Names":"Cyclovalone|Dtxsid7046386|579-23-7","logHenry":-9.144,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.49,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.032,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.202,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.6,"MP.Reference":"EPA-CCD-OPERA","MW":366.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"579-23-7"}
{"Compound":"Isoxsuprine hydrochloride","CAS":"579-56-6","CAS.Checksum":true,"DTXSID":"DTXSID1045328","Formula":"C18H24ClNO3","All.Compound.Names":"Isoxsuprine hydrochloride|Dtxsid1045328|579-56-6","logHenry":-9.787,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4833,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.762,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.569,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.2,"MP.Reference":"EPA-CCD-OPERA","MW":337.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.06","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"579-56-6"}
{"Compound":"(-)-camphene","CAS":"5794-04-7","CAS.Checksum":true,"DTXSID":"DTXSID3046538","Formula":"C10H16","All.Compound.Names":"(-)-camphene|Dtxsid3046538","logHenry":-1.22,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.218,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2589,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.483,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.2,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5794-04-7"}
{"Compound":"D-asparagine hydrate","CAS":"5794-24-1","CAS.Checksum":true,"DTXSID":"DTXSID6048678","Formula":"C4H10N2O4","All.Compound.Names":"D-asparagine hydrate|Dtxsid6048678|5794-24-1","logHenry":-8.728,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.832,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.72,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7281,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.7,"MP.Reference":"EPA-CCD-OPERA","MW":150.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5794-24-1"}
{"Compound":"Menadione","CAS":"58-27-5","CAS.Checksum":true,"DTXSID":"DTXSID4021715","Formula":"C11H8O2","All.Compound.Names":"Menadione|Dtxsid4021715","logHenry":-4.32,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.199,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.705,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.028,"logWSol.Reference":"EPA-CCD-OPERA","MP":107,"MP.Reference":"EPA-CCD-OPERA","MW":172.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58-27-5"}
{"Compound":"Desipramine hydrochloride","CAS":"58-28-6","CAS.Checksum":true,"DTXSID":"DTXSID9046942","Formula":"C18H23ClN2","All.Compound.Names":"Desipramine hydrochloride|Dtxsid9046942|58-28-6","logHenry":-5.251,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.675,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.254,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.689,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.5,"MP.Reference":"EPA-CCD-OPERA","MW":302.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58-28-6"}
{"Compound":"Promethazine hydrochloride","CAS":"58-33-3","CAS.Checksum":true,"DTXSID":"DTXSID3021192","Formula":"C17H21ClN2S","All.Compound.Names":"Promethazine hydrochloride|Dtxsid3021192|58-33-3","logHenry":-5.126,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.056,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.276,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.4,"MP.Reference":"EPA-CCD-OPERA","MW":320.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58-33-3"}
{"Compound":"Tetrabenazine","CAS":"58-46-8","CAS.Checksum":true,"DTXSID":"DTXSID0042614","Formula":"C19H27NO3","All.Compound.Names":"Tetrabenazine|58-46-8|Dtxsid0042614","logHenry":-7.442,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.403,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.436,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.079,"logWSol.Reference":"EPA-CCD-OPERA","MP":127.8,"MP.Reference":"EPA-CCD-OPERA","MW":317.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.05,"Human.Foral.Reference":"Kim 2014","Rat.Foral":0.84,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"58-46-8"}
{"Compound":"Pyridoxine hydrochloride","CAS":"58-56-0","CAS.Checksum":true,"DTXSID":"DTXSID1040792","Formula":"C8H12ClNO3","All.Compound.Names":"Pyridoxine hydrochloride|Dtxsid1040792|58-56-0","logHenry":-7.587,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.121,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.24,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.03012,"logWSol.Reference":"EPA-CCD-OPERA","MP":207,"MP.Reference":"EPA-CCD-OPERA","MW":205.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58-56-0"}
{"Compound":"Puromycin dihydrochloride","CAS":"58-58-2","CAS.Checksum":true,"DTXSID":"DTXSID7045861","Formula":"C22H31Cl2N7O5","All.Compound.Names":"Puromycin dihydrochloride|Dtxsid7045861|58-58-2","logHenry":-10.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2852,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.198,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.245,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.1,"MP.Reference":"EPA-CCD-OPERA","MW":544.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58-58-2"}
{"Compound":"Adenosine","CAS":"58-61-7","CAS.Checksum":true,"DTXSID":"DTXSID1022558","Formula":"C10H13N5O4","All.Compound.Names":"Adenosine|Dtxsid1022558|58-61-7","logHenry":-8.897,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.048,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.44,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.731,"logWSol.Reference":"EPA-CCD-OPERA","MP":246.3,"MP.Reference":"EPA-CCD-OPERA","MW":267.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58-61-7"}
{"Compound":"Inosine","CAS":"58-63-9","CAS.Checksum":true,"DTXSID":"DTXSID2045993","Formula":"C10H12N4O5","All.Compound.Names":"Inosine|Dtxsid2045993|58-63-9","logHenry":-7.968,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.097,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.49,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.233,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.5,"MP.Reference":"EPA-CCD-OPERA","MW":268.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58-63-9"}
{"Compound":"Triphenylethylene","CAS":"58-72-0","CAS.Checksum":true,"DTXSID":"DTXSID3022320","Formula":"C20H16","All.Compound.Names":"Triphenylethylene|Dtxsid3022320","logHenry":-5.35,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.748,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.882,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.307,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.31,"MP.Reference":"EPA-CCD-OPERA","MW":256.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58-72-0"}
{"Compound":"Biotin","CAS":"58-85-5","CAS.Checksum":true,"DTXSID":"DTXSID7022679","Formula":"C10H16N2O3S","All.Compound.Names":"Biotin|58-85-5|Dtxsid7022679","logHenry":-11.41,"logHenry.Reference":"OPERA29","logP":0.39,"logP.Reference":"OPERA29","logWSol":-3.04,"logWSol.Reference":"OPERA29","MP":231,"MP.Reference":"OPERA29","MW":244.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"58-85-5"}
{"Compound":"D-xylose","CAS":"58-86-6","CAS.Checksum":true,"DTXSID":"DTXSID0023745","Formula":"C5H10O5","All.Compound.Names":"D-xylose|Dtxsid0023745|58-86-6","logHenry":-11.36,"logHenry.Reference":"OPERA29","logP":-2.67,"logP.Reference":"OPERA29","logWSol":0.49,"logWSol.Reference":"OPERA29","MP":99,"MP.Reference":"OPERA29","MW":150.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58-86-6"}
{"Compound":"Chlorothiazide","CAS":"58-94-6","CAS.Checksum":true,"DTXSID":"DTXSID0022800","Formula":"C7H6ClN3O4S2","All.Compound.Names":"Chlorothiazide|58-94-6|Dtxsid0022800","logHenry":-9.713,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2397,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.336,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.047,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.6,"MP.Reference":"EPA-CCD-OPERA","MW":295.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.18,0.0355,0.915","Human.Caco2.Pab.Reference":"Lanevskij","Human.Foral":0.13,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"58-94-6"}
{"Compound":"D-alpha-tocopheryl acetate","CAS":"58-95-7","CAS.Checksum":true,"DTXSID":"DTXSID1031096","Formula":"C31H52O3","All.Compound.Names":"D-alpha-tocopheryl acetate|Dtxsid1031096","logHenry":-6.228,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.153,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.529,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.233,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.04,"MP.Reference":"EPA-CCD-OPERA","MW":472.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58-95-7"}
{"Compound":"3-phenylphenol","CAS":"580-51-8","CAS.Checksum":true,"DTXSID":"DTXSID2022462","Formula":"C12H10O","All.Compound.Names":"3-phenylphenol|Dtxsid2022462|580-51-8","logHenry":-7.139,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.23,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.969,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.777,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.46,"MP.Reference":"EPA-CCD-OPERA","MW":170.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"580-51-8"}
{"Compound":"Zuclopenthixol dihydrochloride","CAS":"58045-23-1","CAS.Checksum":true,"DTXSID":"DTXSID5045332","Formula":"C22H27Cl3N2OS","All.Compound.Names":"Zuclopenthixol dihydrochloride|Dtxsid5045332|58045-23-1","logHenry":-8.763,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.926,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.354,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.205,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.2,"MP.Reference":"EPA-CCD-OPERA","MW":473.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58045-23-1"}
{"Compound":"Miltefosine","CAS":"58066-85-6","CAS.Checksum":true,"DTXSID":"DTXSID7045942","Formula":"C21H46NO4P","All.Compound.Names":"Miltefosine|Dtxsid7045942|58066-85-6","logHenry":-6.242,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.816,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.882,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.942,"logWSol.Reference":"EPA-CCD-OPERA","MP":-40.52,"MP.Reference":"EPA-CCD-OPERA","MW":407.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"2.17,0.965,4.9","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"58066-85-6"}
{"Compound":"2,6-dimethylnaphthalene","CAS":"581-42-0","CAS.Checksum":true,"DTXSID":"DTXSID0029187","Formula":"C12H12","All.Compound.Names":"2,6-dimethylnaphthalene|Dtxsid0029187","logHenry":-3.214,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.311,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.652,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.852,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.74,"MP.Reference":"EPA-CCD-OPERA","MW":156.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"581-42-0"}
{"Compound":"Debrisoquin sulfate","CAS":"581-88-4","CAS.Checksum":true,"DTXSID":"DTXSID2047775","Formula":"C20H28N6O4S","All.Compound.Names":"Debrisoquin sulfate|Dtxsid2047775|581-88-4","logHenry":-8.783,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6128,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.31,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.509,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.3,"MP.Reference":"EPA-CCD-OPERA","MW":448.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"581-88-4"}
{"Compound":"2-chloro-n,n-dimethyl-3-oxobutanamide","CAS":"5810-11-7","CAS.Checksum":true,"DTXSID":"DTXSID1044489","Formula":"C6H10ClNO2","All.Compound.Names":"2-chloro-n,n-dimethyl-3-oxobutanamide|Dtxsid1044489|5810-11-7","logHenry":-6.309,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2763,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.469,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5318,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.48,"MP.Reference":"EPA-CCD-OPERA","MW":163.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5810-11-7"}
{"Compound":"3,3',5'-triiodo-l-thyronine","CAS":"5817-39-0","CAS.Checksum":true,"DTXSID":"DTXSID3046908","Formula":"C15H12I3NO4","All.Compound.Names":"3,3',5'-triiodo-l-thyronine|Dtxsid3046908|5817-39-0","logHenry":-8.967,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.701,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.664,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.894,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.7,"MP.Reference":"EPA-CCD-OPERA","MW":651,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5817-39-0"}
{"Compound":"Idebenone","CAS":"58186-27-9","CAS.Checksum":true,"DTXSID":"DTXSID0040678","Formula":"C19H30O5","All.Compound.Names":"Idebenone|Dtxsid0040678|58186-27-9","logHenry":-5.852,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.948,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.585,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.812,"logWSol.Reference":"EPA-CCD-OPERA","MP":99.32,"MP.Reference":"EPA-CCD-OPERA","MW":338.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58186-27-9"}
{"Compound":"Potassium benzoate","CAS":"582-25-2","CAS.Checksum":true,"DTXSID":"DTXSID1027219","Formula":"C7H5KO2","All.Compound.Names":"Potassium benzoate|Dtxsid1027219|582-25-2","logHenry":-6.574,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.135,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.043,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4792,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.2,"MP.Reference":"EPA-CCD-OPERA","MW":160.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"582-25-2"}
{"Compound":"Fenipentol","CAS":"583-03-9","CAS.Checksum":true,"DTXSID":"DTXSID4046818","Formula":"C11H16O","All.Compound.Names":"Fenipentol|Dtxsid4046818|583-03-9","logHenry":-6.132,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.831,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.886,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.415,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.74,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"583-03-9"}
{"Compound":"2,5-dichlorophenol","CAS":"583-78-8","CAS.Checksum":true,"DTXSID":"DTXSID7025003","Formula":"C6H4Cl2O","All.Compound.Names":"2,5-dichlorophenol|Dtxsid7025003|583-78-8","logHenry":-5.875,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.06,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.253,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.892,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.93,"MP.Reference":"EPA-CCD-OPERA","MW":163,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"583-78-8"}
{"Compound":"Febantel","CAS":"58306-30-2","CAS.Checksum":true,"DTXSID":"DTXSID6046898","Formula":"C20H22N4O6S","All.Compound.Names":"Febantel|Dtxsid6046898|58306-30-2","logHenry":-9.903,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.406,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.026,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.431,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.5,"MP.Reference":"EPA-CCD-OPERA","MW":446.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58306-30-2"}
{"Compound":"Dianiline","CAS":"58338-59-3","CAS.Checksum":true,"DTXSID":"DTXSID3046114","Formula":"C13H13N3O","All.Compound.Names":"Dianiline|Dtxsid3046114|58338-59-3","logHenry":-10.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.298,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.946,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.478,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.4,"MP.Reference":"EPA-CCD-OPERA","MW":227.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58338-59-3"}
{"Compound":"2-methoxy-3-aminodibenzofuran","CAS":"5834-17-3","CAS.Checksum":true,"DTXSID":"DTXSID9020825","Formula":"C13H11NO2","All.Compound.Names":"2-methoxy-3-aminodibenzofuran|Dtxsid9020825|5834-17-3","logHenry":-6.832,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.577,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.753,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.716,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.94,"MP.Reference":"EPA-CCD-OPERA","MW":213.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5834-17-3"}
{"Compound":"Chloropropylate","CAS":"5836-10-2","CAS.Checksum":true,"DTXSID":"DTXSID5041778","Formula":"C17H16Cl2O3","All.Compound.Names":"Chloropropylate|Dtxsid5041778|5836-10-2","logHenry":-9.327,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.874,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.095,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.53,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.95,"MP.Reference":"EPA-CCD-OPERA","MW":339.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5836-10-2"}
{"Compound":"Coumatetralyl","CAS":"5836-29-3","CAS.Checksum":true,"DTXSID":"DTXSID8041799","Formula":"C19H16O3","All.Compound.Names":"Coumatetralyl|Dtxsid8041799","logHenry":-8.295,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.817,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.608,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.671,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.9,"MP.Reference":"EPA-CCD-OPERA","MW":292.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5836-29-3"}
{"Compound":"Dl-glucose","CAS":"58367-01-4","CAS.Checksum":true,"DTXSID":"DTXSID4048729","Formula":"C6H12O6","All.Compound.Names":"Dl-glucose|Dtxsid4048729|58367-01-4","logHenry":-9.515,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.824,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6744,"logWSol.Reference":"EPA-CCD-OPERA","MP":133,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58367-01-4"}
{"Compound":"Benzyloctyl adipate","CAS":"58394-64-2","CAS.Checksum":true,"DTXSID":"DTXSID1047528","Formula":"C21H32O4","All.Compound.Names":"Benzyloctyl adipate|Dtxsid1047528","logHenry":-6.601,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.622,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.303,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.831,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.8,"MP.Reference":"EPA-CCD-OPERA","MW":348.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58394-64-2"}
{"Compound":"1,2-butanediol","CAS":"584-03-2","CAS.Checksum":true,"DTXSID":"DTXSID6040375","Formula":"C4H10O2","All.Compound.Names":"1,2-butanediol|Dtxsid6040375|584-03-2","logHenry":-7.124,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4268,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.319,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.047,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.259,"MP.Reference":"EPA-CCD-OPERA","MW":90.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"584-03-2"}
{"Compound":"4-amino-1,2,4-triazole","CAS":"584-13-4","CAS.Checksum":true,"DTXSID":"DTXSID9033058","Formula":"C2H4N4","All.Compound.Names":"4-amino-1,2,4-triazole|Dtxsid9033058|584-13-4","logHenry":-6.785,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.248,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.487,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8351,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.55,"MP.Reference":"EPA-CCD-OPERA","MW":84.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"584-13-4"}
{"Compound":"Toluene-2,4-diisocyanate","CAS":"584-84-9","CAS.Checksum":true,"DTXSID":"DTXSID7026156","Formula":"C9H6N2O2","All.Compound.Names":"Toluene-2,4-diisocyanate|Toluene 2,4-diisocyanate|Dtxsid7026156|584-84-9","logHenry":-6.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6467,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.484,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.652,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.62,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"584-84-9"}
{"Compound":"Glycerol phosphate calcium salt","CAS":"58409-70-4","CAS.Checksum":true,"DTXSID":"DTXSID1048962","Formula":"C3H7CaO6P","All.Compound.Names":"Glycerol phosphate calcium salt|1,3-dihydroxypropan-2-yl dihydrogen phosphate calcium salt|Dtxsid1048962|58409-70-4","logHenry":-8.027,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.797,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.98,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3153,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.5,"MP.Reference":"EPA-CCD-OPERA","MW":210.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.35","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58409-70-4"}
{"Compound":"Clobenzorex hydrochloride","CAS":"5843-53-8","CAS.Checksum":true,"DTXSID":"DTXSID0046145","Formula":"C16H19Cl2N","All.Compound.Names":"Clobenzorex hydrochloride|Dtxsid0046145|5843-53-8","logHenry":-5.737,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8245,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.406,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.798,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.2,"MP.Reference":"EPA-CCD-OPERA","MW":296.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5843-53-8"}
{"Compound":"3,5,5-trimethylhexyl acetate","CAS":"58430-94-7","CAS.Checksum":true,"DTXSID":"DTXSID0041270","Formula":"C11H22O2","All.Compound.Names":"3,5,5-trimethylhexyl acetate|Dtxsid0041270","logHenry":-3.387,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.073,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9342,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.043,"logWSol.Reference":"EPA-CCD-OPERA","MP":-42.37,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58430-94-7"}
{"Compound":"Cinromide","CAS":"58473-74-8","CAS.Checksum":true,"DTXSID":"DTXSID7046417","Formula":"C11H12BrNO","All.Compound.Names":"Cinromide|Dtxsid7046417|58473-74-8","logHenry":-8.943,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.919,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.664,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.004,"logWSol.Reference":"EPA-CCD-OPERA","MP":107,"MP.Reference":"EPA-CCD-OPERA","MW":254.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58473-74-8"}
{"Compound":"Olvanil","CAS":"58493-49-5","CAS.Checksum":true,"DTXSID":"DTXSID1045669","Formula":"C26H43NO3","All.Compound.Names":"Olvanil|(z)-n-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide|Dtxsid1045669|58493-49-5","logHenry":-9.989,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.011,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.598,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.638,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.9,"MP.Reference":"EPA-CCD-OPERA","MW":417.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.85","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58493-49-5"}
{"Compound":"Lactitol","CAS":"585-86-4","CAS.Checksum":true,"DTXSID":"DTXSID9044247","Formula":"C12H24O11","All.Compound.Names":"Lactitol|Dtxsid9044247|585-86-4","logHenry":-9.86,"logHenry.Reference":"OPERA29","logP":-3.86,"logP.Reference":"OPERA29","logWSol":0.29,"logWSol.Reference":"OPERA29","MP":148,"MP.Reference":"OPERA29","MW":344.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"585-86-4"}
{"Compound":"C.i. acid orange 8, monosodium salt","CAS":"5850-86-2","CAS.Checksum":true,"DTXSID":"DTXSID2041709","Formula":"C17H13N2NaO4S","All.Compound.Names":"C.i. acid orange 8, monosodium salt|Dtxsid2041709","logHenry":-8.32,"logHenry.Reference":"OPERA29","logP":-0.95,"logP.Reference":"OPERA29","logWSol":-2.48,"logWSol.Reference":"OPERA29","MP":199,"MP.Reference":"OPERA29","MW":364.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5850-86-2"}
{"Compound":"Rebaudioside a","CAS":"58543-16-1","CAS.Checksum":true,"DTXSID":"DTXSID8047898","Formula":"C44H70O23","All.Compound.Names":"Rebaudioside a|Dtxsid8047898|58543-16-1","logHenry":-10.62,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9029,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.53,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1679,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.4,"MP.Reference":"EPA-CCD-OPERA","MW":967,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58543-16-1"}
{"Compound":"Gomisin a","CAS":"58546-54-6","CAS.Checksum":true,"DTXSID":"DTXSID7048950","Formula":"C23H28O7","All.Compound.Names":"Gomisin a|Dtxsid7048950|58546-54-6","logHenry":-9.858,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.682,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.629,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.47,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.4,"MP.Reference":"EPA-CCD-OPERA","MW":416.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"21.9,9.71,49.3","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"58546-54-6"}
{"Compound":"(2r)-2-aminobutan-1-ol","CAS":"5856-63-3","CAS.Checksum":true,"DTXSID":"DTXSID9029275","Formula":"C4H11NO","All.Compound.Names":"(2r)-2-aminobutan-1-ol|(r)-2-aminobutan-1-ol|Dtxsid9029275|5856-63-3","logHenry":-7.226,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.191,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.105,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.05,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.825,"MP.Reference":"EPA-CCD-OPERA","MW":89.14,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5856-63-3"}
{"Compound":"Anagrelide hydrochloride","CAS":"58579-51-4","CAS.Checksum":true,"DTXSID":"DTXSID0046725","Formula":"C10H8Cl3N3O","All.Compound.Names":"Anagrelide hydrochloride|Dtxsid0046725|58579-51-4","logHenry":-7.637,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8009,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.34,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.6,"MP.Reference":"EPA-CCD-OPERA","MW":292.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58579-51-4"}
{"Compound":"Imazalil sulfate","CAS":"58594-72-2","CAS.Checksum":true,"DTXSID":"DTXSID3034662","Formula":"C14H16Cl2N2O5S","All.Compound.Names":"Imazalil sulfate|Dtxsid3034662|58594-72-2","logHenry":-4.879,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3593,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.477,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.212,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.7,"MP.Reference":"EPA-CCD-OPERA","MW":395.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58594-72-2"}
{"Compound":"Terpinolene","CAS":"586-62-9","CAS.Checksum":true,"DTXSID":"DTXSID0027222","Formula":"C10H16","All.Compound.Names":"Terpinolene|Dtxsid0027222","logHenry":-1.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.47,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1401,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.159,"logWSol.Reference":"EPA-CCD-OPERA","MP":36.68,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"586-62-9"}
{"Compound":"Piconol","CAS":"586-98-1","CAS.Checksum":true,"DTXSID":"DTXSID8046531","Formula":"C6H7NO","All.Compound.Names":"Piconol|Dtxsid8046531|586-98-1","logHenry":-6.704,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.06126,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.975,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6929,"logWSol.Reference":"EPA-CCD-OPERA","MP":50.93,"MP.Reference":"EPA-CCD-OPERA","MW":109.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"586-98-1"}
{"Compound":"2-octanone, 5-methyl-","CAS":"58654-67-4","CAS.Checksum":true,"DTXSID":"DTXSID4041444","Formula":"C9H18O","All.Compound.Names":"2-octanone, 5-methyl-|5-methyl-2-octanone|Dtxsid4041444","logHenry":-3.687,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.921,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.387,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.392,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58654-67-4"}
{"Compound":"Niceritrol","CAS":"5868-05-3","CAS.Checksum":true,"DTXSID":"DTXSID1023364","Formula":"C29H24N4O8","All.Compound.Names":"Niceritrol|Dtxsid1023364|5868-05-3","logHenry":-8.538,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.368,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.307,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.971,"logWSol.Reference":"EPA-CCD-OPERA","MP":162,"MP.Reference":"EPA-CCD-OPERA","MW":556.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5868-05-3"}
{"Compound":"Dihydrokavain","CAS":"587-63-3","CAS.Checksum":true,"DTXSID":"DTXSID8033433","Formula":"C14H16O3","All.Compound.Names":"Dihydrokavain|Dtxsid8033433","logHenry":-7.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.445,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.437,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.102,"logWSol.Reference":"EPA-CCD-OPERA","MP":81.19,"MP.Reference":"EPA-CCD-OPERA","MW":232.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"587-63-3"}
{"Compound":"Diphenylmercury(ii)","CAS":"587-85-9","CAS.Checksum":true,"DTXSID":"DTXSID3042130","Formula":"C12H10Hg","All.Compound.Names":"Diphenylmercury(ii)","MW":354.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"587-85-9"}
{"Compound":"4,4'-dinitrodiphenylurea","CAS":"587-90-6","CAS.Checksum":true,"DTXSID":"DTXSID0043761","Formula":"C13H10N4O5","All.Compound.Names":"4,4'-dinitrodiphenylurea|Dtxsid0043761|587-90-6","logHenry":-9.863,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.424,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.956,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.859,"logWSol.Reference":"EPA-CCD-OPERA","MP":229,"MP.Reference":"EPA-CCD-OPERA","MW":302.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"587-90-6"}
{"Compound":"Cyclopentolate hydrochloride","CAS":"5870-29-1","CAS.Checksum":true,"DTXSID":"DTXSID9045390","Formula":"C17H26ClNO3","All.Compound.Names":"Cyclopentolate hydrochloride|Dtxsid9045390|5870-29-1","logHenry":-9.417,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2605,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.87,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.703,"logWSol.Reference":"EPA-CCD-OPERA","MP":179,"MP.Reference":"EPA-CCD-OPERA","MW":327.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5870-29-1"}
{"Compound":"Heptyl butanoate","CAS":"5870-93-9","CAS.Checksum":true,"DTXSID":"DTXSID0042038","Formula":"C11H22O2","All.Compound.Names":"Heptyl butanoate|Heptyl butyrate|Dtxsid0042038","logHenry":-3.729,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.254,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.569,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.798,"logWSol.Reference":"EPA-CCD-OPERA","MP":-57.88,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5870-93-9"}
{"Compound":"Orciprenaline sulfate","CAS":"5874-97-5","CAS.Checksum":true,"DTXSID":"DTXSID4045391","Formula":"C22H36N2O10S","All.Compound.Names":"Orciprenaline sulfate|Dtxsid4045391|5874-97-5","logHenry":-10.45,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4929,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.912,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.161,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.8,"MP.Reference":"EPA-CCD-OPERA","MW":520.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5874-97-5"}
{"Compound":"Proparacaine hydrochloride","CAS":"5875-06-9","CAS.Checksum":true,"DTXSID":"DTXSID0049022","Formula":"C16H27ClN2O3","All.Compound.Names":"Proparacaine hydrochloride|Dtxsid0049022|5875-06-9","logHenry":-9.26,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6319,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.1,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.551,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.3,"MP.Reference":"EPA-CCD-OPERA","MW":330.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5875-06-9"}
{"Compound":"Kadethrin","CAS":"58769-20-3","CAS.Checksum":true,"DTXSID":"DTXSID5042083","Formula":"C23H24O4S","All.Compound.Names":"Kadethrin|Dtxsid5042083|58769-20-3","logHenry":-7.325,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.366,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.686,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.09,"MP.Reference":"EPA-CCD-OPERA","MW":396.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58769-20-3"}
{"Compound":"4-ethyloct-1-yn-3-ol","CAS":"5877-42-9","CAS.Checksum":true,"DTXSID":"DTXSID1044697","Formula":"C10H18O","All.Compound.Names":"4-ethyloct-1-yn-3-ol|Dtxsid1044697|5877-42-9","logHenry":-4.615,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.324,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.698,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.397,"logWSol.Reference":"EPA-CCD-OPERA","MP":-19.4,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5877-42-9"}
{"Compound":"Oletimol","CAS":"5879-67-4","CAS.Checksum":true,"DTXSID":"DTXSID3046247","Formula":"C15H15NO","All.Compound.Names":"Oletimol|Dtxsid3046247|5879-67-4","logHenry":-7.728,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.419,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.705,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.411,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.57,"MP.Reference":"EPA-CCD-OPERA","MW":225.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5879-67-4"}
{"Compound":"Decyl beta-d-glucopyranoside","CAS":"58846-77-8","CAS.Checksum":true,"DTXSID":"DTXSID2041208","Formula":"C16H32O6","All.Compound.Names":"Decyl beta-d-glucopyranoside|Dtxsid2041208|58846-77-8","logHenry":-8.821,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.377,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.017,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.457,"logWSol.Reference":"EPA-CCD-OPERA","MP":144,"MP.Reference":"EPA-CCD-OPERA","MW":320.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58846-77-8"}
{"Compound":"Isobornyl acrylate","CAS":"5888-33-5","CAS.Checksum":true,"DTXSID":"DTXSID5052250","Formula":"C13H20O2","All.Compound.Names":"Isobornyl acrylate|Dtxsid5052250","logHenry":-3.72,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.175,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.596,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.432,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.46,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5888-33-5"}
{"Compound":"Pharmagsid_48506","CAS":"588941-45-1","CAS.Checksum":true,"DTXSID":"DTXSID5048506","Formula":"C19H22ClN3O3S","All.Compound.Names":"Pharmagsid_48506|Dtxsid5048506|588941-45-1","logHenry":-11.28,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.953,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.319,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.299,"logWSol.Reference":"EPA-CCD-OPERA","MP":176,"MP.Reference":"EPA-CCD-OPERA","MW":407.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"588941-45-1"}
{"Compound":"Benzene,(2-bromoethoxy)-","CAS":"589-10-6","CAS.Checksum":true,"DTXSID":"DTXSID9049322","Formula":"C8H9BrO","All.Compound.Names":"Benzene,(2-bromoethoxy)-|1-bromo-2-phenoxyethane|Dtxsid9049322","logHenry":-4.516,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.992,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.283,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.368,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.71,"MP.Reference":"EPA-CCD-OPERA","MW":201.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"589-10-6"}
{"Compound":"4-bromobenzyl bromide","CAS":"589-15-1","CAS.Checksum":true,"DTXSID":"DTXSID5044445","Formula":"C7H6Br2","All.Compound.Names":"4-bromobenzyl bromide|Dtxsid5044445","logHenry":-2.946,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.01,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.734,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.624,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.01,"MP.Reference":"EPA-CCD-OPERA","MW":249.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"589-15-1"}
{"Compound":"4-methylbenzyl alcohol","CAS":"589-18-4","CAS.Checksum":true,"DTXSID":"DTXSID5025574","Formula":"C8H10O","All.Compound.Names":"4-methylbenzyl alcohol|Dtxsid5025574|589-18-4","logHenry":-6.248,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.579,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.399,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.186,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.86,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"589-18-4"}
{"Compound":"3-methylhexane","CAS":"589-34-4","CAS.Checksum":true,"DTXSID":"DTXSID3044334","Formula":"C7H16","All.Compound.Names":"3-methylhexane|Dtxsid3044334","logHenry":-0.3731,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.097,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.7696,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.365,"logWSol.Reference":"EPA-CCD-OPERA","MP":-118.5,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"589-34-4"}
{"Compound":"3-hexanone","CAS":"589-38-8","CAS.Checksum":true,"DTXSID":"DTXSID2021608","Formula":"C6H12O","All.Compound.Names":"3-hexanone|Dtxsid2021608","logHenry":-4.286,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.477,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.141,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8306,"logWSol.Reference":"EPA-CCD-OPERA","MP":-55.65,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"589-38-8"}
{"Compound":"2-methylpropyl but-2-enoate","CAS":"589-66-2","CAS.Checksum":true,"DTXSID":"DTXSID7047691","Formula":"C8H14O2","All.Compound.Names":"2-methylpropyl but-2-enoate|Dtxsid7047691","logHenry":-3.373,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.57,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.321,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.06,"logWSol.Reference":"EPA-CCD-OPERA","MP":-67.16,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"589-66-2"}
{"Compound":"Tetradecanoic acid, 2,3-dihydroxypropyl ester","CAS":"589-68-4","CAS.Checksum":true,"DTXSID":"DTXSID0042454","Formula":"C17H34O4","All.Compound.Names":"Tetradecanoic acid, 2,3-dihydroxypropyl ester|(+/-)-2,3-dihydroxypropyl tetradecanoate|Dtxsid0042454|589-68-4","logHenry":-8.713,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.05,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.098,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.425,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.75,"MP.Reference":"EPA-CCD-OPERA","MW":302.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"589-68-4"}
{"Compound":"(-)-phenazocine hydrobromide","CAS":"58918-34-6","CAS.Checksum":true,"DTXSID":"DTXSID5048926","Formula":"C22H28BrNO","All.Compound.Names":"(-)-phenazocine hydrobromide|Dtxsid5048926|58918-34-6","logHenry":-7.179,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.885,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.598,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.9,"MP.Reference":"EPA-CCD-OPERA","MW":402.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58918-34-6"}
{"Compound":"Bismuth(iii) carbonate","CAS":"5892-10-4","CAS.Checksum":true,"DTXSID":"DTXSID5046518","Formula":"CBi2O5","All.Compound.Names":"Bismuth(iii) carbonate","MW":510,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5892-10-4"}
{"Compound":"Vitamin e","CAS":"59-02-9","CAS.Checksum":true,"DTXSID":"DTXSID0026339","Formula":"C29H50O2","All.Compound.Names":"Vitamin e|Alpha-vitamin e|Dtxsid0026339|59-02-9","logHenry":-7.283,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.409,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8797,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.554,"logWSol.Reference":"EPA-CCD-OPERA","MP":33.1,"MP.Reference":"EPA-CCD-OPERA","MW":430.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59-02-9"}
{"Compound":"Ethopabate","CAS":"59-06-3","CAS.Checksum":true,"DTXSID":"DTXSID6046264","Formula":"C12H15NO4","All.Compound.Names":"Ethopabate|Dtxsid6046264|59-06-3","logHenry":-9.032,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.933,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.031,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.36,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.4,"MP.Reference":"EPA-CCD-OPERA","MW":237.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59-06-3"}
{"Compound":"5-bromo-2'-deoxyuridine","CAS":"59-14-3","CAS.Checksum":true,"DTXSID":"DTXSID7033105","Formula":"C9H11BrN2O5","All.Compound.Names":"5-bromo-2'-deoxyuridine|Dtxsid7033105|59-14-3","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.291,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.546,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.016,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.8,"MP.Reference":"EPA-CCD-OPERA","MW":307.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59-14-3"}
{"Compound":"Galactose","CAS":"59-23-4","CAS.Checksum":true,"DTXSID":"DTXSID0023088","Formula":"C6H12O6","All.Compound.Names":"Galactose|D-?galactose|Dtxsid0023088|59-23-4","logHenry":-9.515,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.824,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6744,"logWSol.Reference":"EPA-CCD-OPERA","MP":133,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59-23-4"}
{"Compound":"N,n-diethylnicotinamide","CAS":"59-26-7","CAS.Checksum":true,"DTXSID":"DTXSID9046524","Formula":"C10H14N2O","All.Compound.Names":"N,n-diethylnicotinamide|Dtxsid9046524|59-26-7","logHenry":-7.56,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3323,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.574,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7421,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.15,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59-26-7"}
{"Compound":"Pyrilamine maleate","CAS":"59-33-6","CAS.Checksum":true,"DTXSID":"DTXSID4021216","Formula":"C21H27N3O5","All.Compound.Names":"Pyrilamine maleate|Dtxsid4021216|59-33-6","logHenry":-5.181,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.674,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.2,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.495,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.1,"MP.Reference":"EPA-CCD-OPERA","MW":401.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59-33-6"}
{"Compound":"Piperoxan","CAS":"59-39-2","CAS.Checksum":true,"DTXSID":"DTXSID1046269","Formula":"C14H19NO2","All.Compound.Names":"Piperoxan|Dtxsid1046269|59-39-2","logHenry":-5.836,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.051,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.364,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.351,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.61,"MP.Reference":"EPA-CCD-OPERA","MW":233.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59-39-2"}
{"Compound":"Mephenesin","CAS":"59-47-2","CAS.Checksum":true,"DTXSID":"DTXSID4023254","Formula":"C10H14O3","All.Compound.Names":"Mephenesin|Dtxsid4023254|59-47-2","logHenry":-6.6,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.409,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.536,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.191,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.81,"MP.Reference":"EPA-CCD-OPERA","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59-47-2"}
{"Compound":"2-benzoxazolinone","CAS":"59-49-4","CAS.Checksum":true,"DTXSID":"DTXSID9049324","Formula":"C7H5NO2","All.Compound.Names":"2-benzoxazolinone|Dtxsid9049324|59-49-4","logHenry":-8.206,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.16,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.345,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.096,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.1,"MP.Reference":"EPA-CCD-OPERA","MW":135.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59-49-4"}
{"Compound":"Dl-methionine","CAS":"59-51-8","CAS.Checksum":true,"DTXSID":"DTXSID9020821","Formula":"C5H11NO2S","All.Compound.Names":"Dl-methionine|Dtxsid9020821|59-51-8","logHenry":-6.795,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.868,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.73,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4594,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.6,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59-51-8"}
{"Compound":"Dimercaprol","CAS":"59-52-9","CAS.Checksum":true,"DTXSID":"DTXSID5040461","Formula":"C3H8OS2","All.Compound.Names":"Dimercaprol|59-52-9|Dtxsid5040461","logHenry":-7.146,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6587,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.649,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1561,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.44,"MP.Reference":"EPA-CCD-OPERA","MW":124.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"59-52-9"}
{"Compound":"Prosultiamine","CAS":"59-58-5","CAS.Checksum":true,"DTXSID":"DTXSID1046633","Formula":"C15H24N4O2S2","All.Compound.Names":"Prosultiamine|Dtxsid1046633|59-58-5","logHenry":-10.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.274,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.283,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.424,"logWSol.Reference":"EPA-CCD-OPERA","MP":174,"MP.Reference":"EPA-CCD-OPERA","MW":356.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59-58-5"}
{"Compound":"Isocarboxazid","CAS":"59-63-2","CAS.Checksum":true,"DTXSID":"DTXSID4023171","Formula":"C12H13N3O2","All.Compound.Names":"Isocarboxazid|Dtxsid4023171|59-63-2","logHenry":-9.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.49,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.666,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.466,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.6,"MP.Reference":"EPA-CCD-OPERA","MW":231.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59-63-2"}
{"Compound":"4-chloromercuribenzoic acid","CAS":"59-85-8","CAS.Checksum":true,"DTXSID":"DTXSID8040725","Formula":"C7H5ClHgO2","All.Compound.Names":"4-chloromercuribenzoic acid","MW":357.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59-85-8"}
{"Compound":"Phenylhydrazine hydrochloride","CAS":"59-88-1","CAS.Checksum":true,"DTXSID":"DTXSID3021148","Formula":"C6H9ClN2","All.Compound.Names":"Phenylhydrazine hydrochloride|Dtxsid3021148|59-88-1","logHenry":-7.299,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.324,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.68,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.06914,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.9,"MP.Reference":"EPA-CCD-OPERA","MW":144.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59-88-1"}
{"Compound":"N-nitrosomorpholine","CAS":"59-89-2","CAS.Checksum":true,"DTXSID":"DTXSID4021056","Formula":"C4H8N2O2","All.Compound.Names":"N-nitrosomorpholine|Dtxsid4021056|59-89-2","logHenry":-5.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4401,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.582,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9356,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.13,"MP.Reference":"EPA-CCD-OPERA","MW":116.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59-89-2"}
{"Compound":"Phenoxybenzamine","CAS":"59-96-1","CAS.Checksum":true,"DTXSID":"DTXSID0023458","Formula":"C18H22ClNO","All.Compound.Names":"Phenoxybenzamine|59-96-1|Dtxsid0023458","logHenry":-6.417,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.804,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.588,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.113,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.4,"MP.Reference":"EPA-CCD-OPERA","MW":303.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.25,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"59-96-1"}
{"Compound":"Tolazoline hydrochloride","CAS":"59-97-2","CAS.Checksum":true,"DTXSID":"DTXSID9021718","Formula":"C10H13ClN2","All.Compound.Names":"Tolazoline hydrochloride|Dtxsid9021718|59-97-2","logHenry":-7.504,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.016,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.514,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.973,"logWSol.Reference":"EPA-CCD-OPERA","MP":175,"MP.Reference":"EPA-CCD-OPERA","MW":196.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59-97-2"}
{"Compound":"Butyl propionate","CAS":"590-01-2","CAS.Checksum":true,"DTXSID":"DTXSID5027223","Formula":"C7H14O2","All.Compound.Names":"Butyl propionate|Dtxsid5027223","logHenry":-3.403,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.202,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.888,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.935,"logWSol.Reference":"EPA-CCD-OPERA","MP":-89.37,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"590-01-2"}
{"Compound":"Bromoacetonitrile","CAS":"590-17-0","CAS.Checksum":true,"DTXSID":"DTXSID2021496","Formula":"C2H2BrN","All.Compound.Names":"Bromoacetonitrile|Dtxsid2021496","logHenry":-4.298,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9744,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.141,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2536,"logWSol.Reference":"EPA-CCD-OPERA","MP":-35.2,"MP.Reference":"EPA-CCD-OPERA","MW":119.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"590-17-0"}
{"Compound":"Formic acid, potassium salt","CAS":"590-29-4","CAS.Checksum":true,"DTXSID":"DTXSID6029626","Formula":"CHKO2","All.Compound.Names":"Formic acid, potassium salt|Dtxsid6029626|590-29-4","logHenry":-6.775,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9545,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.571,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.024,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.1,"MP.Reference":"EPA-CCD-OPERA","MW":84.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"590-29-4"}
{"Compound":"Betaine hydrochloride","CAS":"590-46-5","CAS.Checksum":true,"DTXSID":"DTXSID0044446","Formula":"C5H12ClNO2","All.Compound.Names":"Betaine hydrochloride|Dtxsid0044446|590-46-5","logHenry":-6.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.03713,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.279,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2385,"logWSol.Reference":"EPA-CCD-OPERA","MP":241.5,"MP.Reference":"EPA-CCD-OPERA","MW":153.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"590-46-5"}
{"Compound":"Betaine monohydrate","CAS":"590-47-6","CAS.Checksum":true,"DTXSID":"DTXSID7049421","Formula":"C5H13NO3","All.Compound.Names":"Betaine monohydrate|Dtxsid7049421","logHenry":-3.435,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1116,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.816,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6208,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.849,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"590-47-6"}
{"Compound":"Bethanechol","CAS":"590-63-6","CAS.Checksum":true,"DTXSID":"DTXSID2022676","Formula":"C7H17ClN2O2","All.Compound.Names":"Bethanechol|Bethanechol chloride|Dtxsid2022676|590-63-6","logHenry":-6.028,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1745,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.022,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4996,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.7,"MP.Reference":"EPA-CCD-OPERA","MW":196.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"590-63-6"}
{"Compound":"3-methylbutanal","CAS":"590-86-3","CAS.Checksum":true,"DTXSID":"DTXSID1021619","Formula":"C5H10O","All.Compound.Names":"3-methylbutanal|Dtxsid1021619","logHenry":-3.938,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.07,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.746,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7906,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.19,"MP.Reference":"EPA-CCD-OPERA","MW":86.13,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"590-86-3"}
{"Compound":"Ioxaglic acid","CAS":"59017-64-0","CAS.Checksum":true,"DTXSID":"DTXSID5023166","Formula":"C24H21I6N5O8","All.Compound.Names":"Ioxaglic acid|Dtxsid5023166|59017-64-0","logHenry":-10.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.116,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.472,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.378,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.1,"MP.Reference":"EPA-CCD-OPERA","MW":1269,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59017-64-0"}
{"Compound":"Atropine sulfate monohydrate","CAS":"5908-99-6","CAS.Checksum":true,"DTXSID":"DTXSID3040724","Formula":"C34H50N2O11S","All.Compound.Names":"Atropine sulfate monohydrate|Dtxsid3040724|5908-99-6","logHenry":-9.386,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8967,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.52,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.13,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.6,"MP.Reference":"EPA-CCD-OPERA","MW":694.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5908-99-6"}
{"Compound":"Alpha-angelica lactone","CAS":"591-12-8","CAS.Checksum":true,"DTXSID":"DTXSID7047693","Formula":"C5H6O2","All.Compound.Names":"Alpha-angelica lactone|Dtxsid7047693","logHenry":-6.42,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1307,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.999,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2659,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.75,"MP.Reference":"EPA-CCD-OPERA","MW":98.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"591-12-8"}
{"Compound":"3-bromotoluene","CAS":"591-17-3","CAS.Checksum":true,"DTXSID":"DTXSID3024659","Formula":"C7H7Br","All.Compound.Names":"3-bromotoluene|Dtxsid3024659","logHenry":-2.613,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.412,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8981,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.468,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.02,"MP.Reference":"EPA-CCD-OPERA","MW":171,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"591-17-3"}
{"Compound":"3,5-dimethylpyridine","CAS":"591-22-0","CAS.Checksum":true,"DTXSID":"DTXSID5052254","Formula":"C7H9N","All.Compound.Names":"3,5-dimethylpyridine|Dtxsid5052254|591-22-0","logHenry":-5.158,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.779,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.95,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.05999,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.79,"MP.Reference":"EPA-CCD-OPERA","MW":107.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"591-22-0"}
{"Compound":"3-aminophenol","CAS":"591-27-5","CAS.Checksum":true,"DTXSID":"DTXSID3024497","Formula":"C6H7NO","All.Compound.Names":"3-aminophenol|Dtxsid3024497|591-27-5","logHenry":-7.06,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2113,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.386,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6108,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.7,"MP.Reference":"EPA-CCD-OPERA","MW":109.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"591-27-5"}
{"Compound":"3-methoxybenzaldehyde","CAS":"591-31-1","CAS.Checksum":true,"DTXSID":"DTXSID5044447","Formula":"C8H8O2","All.Compound.Names":"3-methoxybenzaldehyde|Dtxsid5044447","logHenry":-6.647,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.712,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.877,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.512,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.29,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"591-31-1"}
{"Compound":"3,5-dichlorophenol","CAS":"591-35-5","CAS.Checksum":true,"DTXSID":"DTXSID2025006","Formula":"C6H4Cl2O","All.Compound.Names":"3,5-dichlorophenol|Dtxsid2025006|591-35-5","logHenry":-6.239,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.617,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.886,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.519,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.89,"MP.Reference":"EPA-CCD-OPERA","MW":163,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"591-35-5"}
{"Compound":"4-pentenoic acid","CAS":"591-80-0","CAS.Checksum":true,"DTXSID":"DTXSID0044448","Formula":"C5H8O2","All.Compound.Names":"4-pentenoic acid|Dtxsid0044448|591-80-0","logHenry":-6.105,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8453,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.411,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3167,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.12,"MP.Reference":"EPA-CCD-OPERA","MW":100.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"591-80-0"}
{"Compound":"Allyl acetate","CAS":"591-87-7","CAS.Checksum":true,"DTXSID":"DTXSID9024437","Formula":"C5H8O2","All.Compound.Names":"Allyl acetate|Dtxsid9024437","logHenry":-3.701,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9728,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.154,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.557,"logWSol.Reference":"EPA-CCD-OPERA","MP":-70.14,"MP.Reference":"EPA-CCD-OPERA","MW":100.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"591-87-7"}
{"Compound":"Misoprostol","CAS":"59122-46-2","CAS.Checksum":true,"DTXSID":"DTXSID7020897","Formula":"C22H38O5","All.Compound.Names":"Misoprostol|59122-46-2|Dtxsid7020897","logHenry":-7.8,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.661,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.776,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.232,"logWSol.Reference":"EPA-CCD-OPERA","MP":127.4,"MP.Reference":"EPA-CCD-OPERA","MW":382.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.8,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"59122-46-2"}
{"Compound":"Terbuthylazine","CAS":"5915-41-3","CAS.Checksum":true,"DTXSID":"DTXSID4027608","Formula":"C9H16ClN5","All.Compound.Names":"Terbuthylazine|Terbutylazine|Dtxsid4027608|5915-41-3","logHenry":-7.911,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.21,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.207,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.455,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.1,"MP.Reference":"EPA-CCD-OPERA","MW":229.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.1","Human.Clint.Reference":"Black 2021","Rat.Clint":"12.9","Rat.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"5915-41-3"}
{"Compound":"Lidofenin","CAS":"59160-29-1","CAS.Checksum":true,"DTXSID":"DTXSID2046389","Formula":"C14H18N2O5","All.Compound.Names":"Lidofenin|Dtxsid2046389|59160-29-1","logHenry":-10.64,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4234,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.837,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.818,"logWSol.Reference":"EPA-CCD-OPERA","MP":202,"MP.Reference":"EPA-CCD-OPERA","MW":294.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59160-29-1"}
{"Compound":"Glyceryl methacrylate","CAS":"5919-74-4","CAS.Checksum":true,"DTXSID":"DTXSID7057781","Formula":"C7H12O4","All.Compound.Names":"Glyceryl methacrylate|2,3-dihydroxypropyl methacrylate|Dtxsid7057781|5919-74-4","logHenry":-8.334,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1716,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.498,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.174,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.83,"MP.Reference":"EPA-CCD-OPERA","MW":160.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5919-74-4"}
{"Compound":"Diflucortolone valerate","CAS":"59198-70-8","CAS.Checksum":true,"DTXSID":"DTXSID1048598","Formula":"C27H36F2O5","All.Compound.Names":"Diflucortolone valerate|Dtxsid1048598|59198-70-8","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.785,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.507,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.054,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.2,"MP.Reference":"EPA-CCD-OPERA","MW":478.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59198-70-8"}
{"Compound":"N-butylurea","CAS":"592-31-4","CAS.Checksum":true,"DTXSID":"DTXSID6020222","Formula":"C5H12N2O","All.Compound.Names":"N-butylurea|Dtxsid6020222|592-31-4","logHenry":-7.044,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4111,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.446,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7032,"logWSol.Reference":"EPA-CCD-OPERA","MP":97,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"592-31-4"}
{"Compound":"1-hexene","CAS":"592-41-6","CAS.Checksum":true,"DTXSID":"DTXSID4025402","Formula":"C6H12","All.Compound.Names":"1-hexene|Dtxsid4025402","logHenry":-0.6385,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.39,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6642,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.228,"logWSol.Reference":"EPA-CCD-OPERA","MP":-139.1,"MP.Reference":"EPA-CCD-OPERA","MW":84.16,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"592-41-6"}
{"Compound":"1,5-hexadiene","CAS":"592-42-7","CAS.Checksum":true,"DTXSID":"DTXSID4049323","Formula":"C6H10","All.Compound.Names":"1,5-hexadiene|Dtxsid4049323","logHenry":-0.946,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.87,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.07429,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.686,"logWSol.Reference":"EPA-CCD-OPERA","MP":-140.5,"MP.Reference":"EPA-CCD-OPERA","MW":82.15,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"592-42-7"}
{"Compound":"1,4-hexadiene","CAS":"592-45-0","CAS.Checksum":true,"DTXSID":"DTXSID5027227","Formula":"C6H10","All.Compound.Names":"1,4-hexadiene|Dtxsid5027227","logHenry":-0.9689,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.83,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1113,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.83,"logWSol.Reference":"EPA-CCD-OPERA","MP":-133.9,"MP.Reference":"EPA-CCD-OPERA","MW":82.15,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"592-45-0"}
{"Compound":"4-pentenenitrile","CAS":"592-51-8","CAS.Checksum":true,"DTXSID":"DTXSID0027228","Formula":"C5H7N","All.Compound.Names":"4-pentenenitrile|Dtxsid0027228","logHenry":-4.422,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.334,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.762,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6651,"logWSol.Reference":"EPA-CCD-OPERA","MP":-70.55,"MP.Reference":"EPA-CCD-OPERA","MW":81.12,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"592-51-8"}
{"Compound":"Meptazinol hydrochloride","CAS":"59263-76-2","CAS.Checksum":true,"DTXSID":"DTXSID3045485","Formula":"C15H24ClNO","All.Compound.Names":"Meptazinol hydrochloride|Dtxsid3045485|59263-76-2","logHenry":-9.059,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.041,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.548,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.647,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.5,"MP.Reference":"EPA-CCD-OPERA","MW":269.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59263-76-2"}
{"Compound":"2-tridecanone","CAS":"593-08-8","CAS.Checksum":true,"DTXSID":"DTXSID4022070","Formula":"C13H26O","All.Compound.Names":"2-tridecanone|Dtxsid4022070","logHenry":-3.569,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.68,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.224,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.891,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.69,"MP.Reference":"EPA-CCD-OPERA","MW":198.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"593-08-8"}
{"Compound":"N,n-dimethylmethanamine hydrochloride","CAS":"593-81-7","CAS.Checksum":true,"DTXSID":"DTXSID5027229","Formula":"C3H10ClN","All.Compound.Names":"N,n-dimethylmethanamine hydrochloride|Trimethylamine hydrochloride|Dtxsid5027229|593-81-7","logHenry":-3.982,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.636,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.72,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.176,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.35,"MP.Reference":"EPA-CCD-OPERA","MW":95.57,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"593-81-7"}
{"Compound":"Guanidine carbonate","CAS":"593-85-1","CAS.Checksum":true,"DTXSID":"DTXSID0029189","Formula":"C3H12N6O3","All.Compound.Names":"Guanidine carbonate|Dtxsid0029189|593-85-1","logHenry":-8.315,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.312,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.584,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.5,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"593-85-1"}
{"Compound":"4-amino-2,6-dichlorophenol","CAS":"5930-28-9","CAS.Checksum":true,"DTXSID":"DTXSID3040720","Formula":"C6H5Cl2NO","All.Compound.Names":"4-amino-2,6-dichlorophenol|Dtxsid3040720|5930-28-9","logHenry":-6.743,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.967,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.828,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.866,"logWSol.Reference":"EPA-CCD-OPERA","MP":168,"MP.Reference":"EPA-CCD-OPERA","MW":178,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5930-28-9"}
{"Compound":"Methyl 3-sulfamoylthiophene-2-carboxylate","CAS":"59337-93-8","CAS.Checksum":true,"DTXSID":"DTXSID0044490","Formula":"C6H7NO4S2","All.Compound.Names":"Methyl 3-sulfamoylthiophene-2-carboxylate|Dtxsid0044490|59337-93-8","logHenry":-9.098,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3036,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.459,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.034,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.3,"MP.Reference":"EPA-CCD-OPERA","MW":221.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59337-93-8"}
{"Compound":"Dibromodichloromethane","CAS":"594-18-3","CAS.Checksum":true,"DTXSID":"DTXSID4024014","Formula":"CBr2Cl2","All.Compound.Names":"Dibromodichloromethane|Dtxsid4024014","logHenry":-1.129,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.749,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.145,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.208,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.81,"MP.Reference":"EPA-CCD-OPERA","MW":242.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"594-18-3"}
{"Compound":"2,2-dichloropropane","CAS":"594-20-7","CAS.Checksum":true,"DTXSID":"DTXSID7030060","Formula":"C3H6Cl2","All.Compound.Names":"2,2-dichloropropane|Dtxsid7030060","logHenry":-1.842,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.861,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9838,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.894,"logWSol.Reference":"EPA-CCD-OPERA","MP":-34.47,"MP.Reference":"EPA-CCD-OPERA","MW":113,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"594-20-7"}
{"Compound":"Triphenylbismuthine dichloride","CAS":"594-30-9","CAS.Checksum":true,"DTXSID":"DTXSID1042499","Formula":"C18H15BiCl2","All.Compound.Names":"Triphenylbismuthine dichloride","MW":511.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"594-30-9"}
{"Compound":"Perchloromethylmercaptan","CAS":"594-42-3","CAS.Checksum":true,"DTXSID":"DTXSID6025854","Formula":"CCl4S","All.Compound.Names":"Perchloromethylmercaptan|Perchloromethyl mercaptan|Dtxsid6025854","logHenry":-0.8978,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.477,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.491,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.957,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.39,"MP.Reference":"EPA-CCD-OPERA","MW":185.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"594-42-3"}
{"Compound":"2-hydroxyisobutyric acid","CAS":"594-61-6","CAS.Checksum":true,"DTXSID":"DTXSID4032954","Formula":"C4H8O3","All.Compound.Names":"2-hydroxyisobutyric acid|Dtxsid4032954|594-61-6","logHenry":-7.915,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3591,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.133,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2679,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.26,"MP.Reference":"EPA-CCD-OPERA","MW":104.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"594-61-6"}
{"Compound":"2,2,2-trichloroacetamide","CAS":"594-65-0","CAS.Checksum":true,"DTXSID":"DTXSID5021671","Formula":"C2H2Cl3NO","All.Compound.Names":"2,2,2-trichloroacetamide|Dtxsid5021671|594-65-0","logHenry":-8.408,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.042,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.052,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.093,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.9,"MP.Reference":"EPA-CCD-OPERA","MW":162.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"594-65-0"}
{"Compound":"2-chloro-2-nitropropane","CAS":"594-71-8","CAS.Checksum":true,"DTXSID":"DTXSID7024798","Formula":"C3H6ClNO2","All.Compound.Names":"2-chloro-2-nitropropane|Dtxsid7024798","logHenry":-4.445,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9962,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.801,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.414,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.28,"MP.Reference":"EPA-CCD-OPERA","MW":123.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"594-71-8"}
{"Compound":"1,1-dichloro-1-nitroethane","CAS":"594-72-9","CAS.Checksum":true,"DTXSID":"DTXSID4021638","Formula":"C2H3Cl2NO2","All.Compound.Names":"1,1-dichloro-1-nitroethane|Dtxsid4021638","logHenry":-4.518,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7042,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.99,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.757,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.392,"MP.Reference":"EPA-CCD-OPERA","MW":144,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"594-72-9"}
{"Compound":"Dibutan-2-yl disulfide","CAS":"5943-30-6","CAS.Checksum":true,"DTXSID":"DTXSID6044698","Formula":"C8H18S2","All.Compound.Names":"Dibutan-2-yl disulfide|Dtxsid6044698","logHenry":-3.202,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.671,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.18,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.355,"logWSol.Reference":"EPA-CCD-OPERA","MP":-13.87,"MP.Reference":"EPA-CCD-OPERA","MW":178.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5943-30-6"}
{"Compound":"Midazolam hydrochloride","CAS":"59467-96-8","CAS.Checksum":true,"DTXSID":"DTXSID8047846","Formula":"C18H14Cl2FN3","All.Compound.Names":"Midazolam hydrochloride|Dtxsid8047846|59467-96-8","logHenry":-8.213,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.986,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.76,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.293,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.6,"MP.Reference":"EPA-CCD-OPERA","MW":362.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59467-96-8"}
{"Compound":"(s)-(-)-citronellal","CAS":"5949-05-3","CAS.Checksum":true,"DTXSID":"DTXSID2044476","Formula":"C10H18O","All.Compound.Names":"(s)-(-)-citronellal|Dtxsid2044476","logHenry":-3.755,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.827,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.037,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.822,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.05,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5949-05-3"}
{"Compound":"Megestrol acetate","CAS":"595-33-5","CAS.Checksum":true,"DTXSID":"DTXSID9040683","Formula":"C24H32O4","All.Compound.Names":"Megestrol acetate|595-33-5|Dtxsid9040683","logHenry":-6.565,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.29,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.348,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.5,"MP.Reference":"EPA-CCD-OPERA","MW":384.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"595-33-5"}
{"Compound":"2,2-dimethylbutanoic acid","CAS":"595-37-9","CAS.Checksum":true,"DTXSID":"DTXSID0032811","Formula":"C6H12O2","All.Compound.Names":"2,2-dimethylbutanoic acid|Dtxsid0032811|595-37-9","logHenry":-6,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.9,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.58,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6708,"logWSol.Reference":"EPA-CCD-OPERA","MP":-13.87,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"595-37-9"}
{"Compound":"Polybrominated biphenyls","CAS":"59536-65-1","CAS.Checksum":true,"DTXSID":"DTXSID5021174","All.Compound.Names":"Polybrominated biphenyls|Polybrominated biphenyls (pbb)","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59536-65-1"}
{"Compound":"1,3,6,8-pyrenetetrasulfonic acid, tetrasodium salt","CAS":"59572-10-0","CAS.Checksum":true,"DTXSID":"DTXSID9041233","Formula":"C16H6Na4O12S4","All.Compound.Names":"1,3,6,8-pyrenetetrasulfonic acid, tetrasodium salt|Tetrasodium 1,3,6,8-pyrenetetrasulfonate|Dtxsid9041233|59572-10-0","logHenry":-11.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8977,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.581,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4579,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.9,"MP.Reference":"EPA-CCD-OPERA","MW":610.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59572-10-0"}
{"Compound":"D-glutamine","CAS":"5959-95-5","CAS.Checksum":true,"DTXSID":"DTXSID6046345","Formula":"C5H10N2O3","All.Compound.Names":"D-glutamine|Dtxsid6046345|5959-95-5","logHenry":-9.329,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.64,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.76,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5489,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.6,"MP.Reference":"EPA-CCD-OPERA","MW":146.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5959-95-5"}
{"Compound":"4',5'-dibromofluorescein","CAS":"596-03-2","CAS.Checksum":true,"DTXSID":"DTXSID7024904","Formula":"C20H10Br2O5","All.Compound.Names":"4',5'-dibromofluorescein|C.i. solvent red 72|Dtxsid7024904","logHenry":-10.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.726,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.869,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.993,"logWSol.Reference":"EPA-CCD-OPERA","MP":285,"MP.Reference":"EPA-CCD-OPERA","MW":490.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"596-03-2"}
{"Compound":"Glycopyrrolate bromide","CAS":"596-51-0","CAS.Checksum":true,"DTXSID":"DTXSID6023109","Formula":"C19H28BrNO3","All.Compound.Names":"Glycopyrrolate bromide|Dtxsid6023109|596-51-0","logHenry":-9.085,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.198,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.81,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.205,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.2,"MP.Reference":"EPA-CCD-OPERA","MW":398.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"596-51-0"}
{"Compound":"Imexon","CAS":"59643-91-3","CAS.Checksum":true,"DTXSID":"DTXSID1046895","Formula":"C4H5N3O","All.Compound.Names":"Imexon|Dtxsid1046895|59643-91-3","logHenry":-7.864,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.022,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.518,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7451,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.3,"MP.Reference":"EPA-CCD-OPERA","MW":111.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59643-91-3"}
{"Compound":"2-ethyl-2-nitro-1,3-propanediol","CAS":"597-09-1","CAS.Checksum":true,"DTXSID":"DTXSID7041417","Formula":"C5H11NO4","All.Compound.Names":"2-ethyl-2-nitro-1,3-propanediol|2-nitro-2-ethyl-1,3-propanediol|Dtxsid7041417|597-09-1","logHenry":-7.025,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.036,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.468,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.125,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.8,"MP.Reference":"EPA-CCD-OPERA","MW":149.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"597-09-1"}
{"Compound":"2,2-dimethylbutanedioic acid","CAS":"597-43-3","CAS.Checksum":true,"DTXSID":"DTXSID6021581","Formula":"C6H10O4","All.Compound.Names":"2,2-dimethylbutanedioic acid|Dtxsid6021581|597-43-3","logHenry":-8.607,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3602,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.227,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6956,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.52,"MP.Reference":"EPA-CCD-OPERA","MW":146.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"597-43-3"}
{"Compound":"Zinc(ii) acetate dihydrate","CAS":"5970-45-6","CAS.Checksum":true,"DTXSID":"DTXSID5021461","Formula":"C4H10O6Zn","All.Compound.Names":"Zinc(ii) acetate dihydrate|Dtxsid5021461|5970-45-6","logHenry":-6.998,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.63,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.86,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":291.9,"MP.Reference":"EPA-CCD-OPERA","MW":219.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5970-45-6"}
{"Compound":"Piperacillin sodium salt","CAS":"59703-84-3","CAS.Checksum":true,"DTXSID":"DTXSID6048965","Formula":"C23H26N5NaO7S","All.Compound.Names":"Piperacillin sodium salt|Piperacillin sodium|Dtxsid6048965|59703-84-3","logHenry":-12.96,"logHenry.Reference":"OPERA29","logP":0.56,"logP.Reference":"OPERA29","logWSol":-3.3,"logWSol.Reference":"OPERA29","MP":283,"MP.Reference":"OPERA29","MW":539.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.21","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59703-84-3"}
{"Compound":"Bis{2-[2-(propan-2-yl)-1,3-oxazolidin-3-yl]ethyl} hexane-1,6-diylbiscarbamate","CAS":"59719-67-4","CAS.Checksum":true,"DTXSID":"DTXSID8044961","Formula":"C24H46N4O6","All.Compound.Names":"Bis{2-[2-(propan-2-yl)-1,3-oxazolidin-3-yl]ethyl} hexane-1,6-diylbiscarbamate|Bis[2-[2-(1-methylethyl)-3-oxazolidinyl] ethyl] hexan-1,2-diyl biscarbamate|Dtxsid8044961|59719-67-4","logHenry":-7.477,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.361,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.268,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.493,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.5,"MP.Reference":"EPA-CCD-OPERA","MW":486.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.5757","Human.Clint.Reference":"Paini 2020","Chemical.Class":"","_row":"59719-67-4"}
{"Compound":"Camostat mesylate","CAS":"59721-29-8","CAS.Checksum":true,"DTXSID":"DTXSID0020238","Formula":"C21H26N4O8S","All.Compound.Names":"Camostat mesylate|Dtxsid0020238|59721-29-8","logHenry":-10.97,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5515,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.806,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.599,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.5,"MP.Reference":"EPA-CCD-OPERA","MW":494.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59721-29-8"}
{"Compound":"3,4-dimethylbenzaldehyde","CAS":"5973-71-7","CAS.Checksum":true,"DTXSID":"DTXSID2041626","Formula":"C9H10O","All.Compound.Names":"3,4-dimethylbenzaldehyde|Dtxsid2041626","logHenry":-4.496,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.907,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.927,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.376,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.84,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5973-71-7"}
{"Compound":"1-butyl-3-methylpyridinium tetrafluoroborate","CAS":"597581-48-1","CAS.Checksum":true,"DTXSID":"DTXSID4049325","Formula":"C10H16BF4N","All.Compound.Names":"1-butyl-3-methylpyridinium tetrafluoroborate|Dtxsid4049325|597581-48-1","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.608,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.885,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.177,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.8,"MP.Reference":"EPA-CCD-OPERA","MW":237,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"597581-48-1"}
{"Compound":"3-oxobutanamide","CAS":"5977-14-0","CAS.Checksum":true,"DTXSID":"DTXSID1040164","Formula":"C4H7NO2","All.Compound.Names":"3-oxobutanamide|Dtxsid1040164|5977-14-0","logHenry":-7.888,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6659,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.62,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5562,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.4,"MP.Reference":"EPA-CCD-OPERA","MW":101.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5977-14-0"}
{"Compound":"Methyl carbamate","CAS":"598-55-0","CAS.Checksum":true,"DTXSID":"DTXSID8020834","Formula":"C2H5NO2","All.Compound.Names":"Methyl carbamate|Dtxsid8020834|598-55-0","logHenry":-6.761,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6597,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.899,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9682,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.02,"MP.Reference":"EPA-CCD-OPERA","MW":75.07,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"598-55-0"}
{"Compound":"Dimethyldithiocarbamic acid, dimethylamine","CAS":"598-64-1","CAS.Checksum":true,"DTXSID":"DTXSID6020513","Formula":"C5H14N2S2","All.Compound.Names":"Dimethyldithiocarbamic acid, dimethylamine|Dtxsid6020513|598-64-1","logHenry":-7.986,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.371,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.991,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.504,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.02,"MP.Reference":"EPA-CCD-OPERA","MW":166.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"598-64-1"}
{"Compound":"2-bromopropionic acid","CAS":"598-72-1","CAS.Checksum":true,"DTXSID":"DTXSID9027233","Formula":"C3H5BrO2","All.Compound.Names":"2-bromopropionic acid|Dtxsid9027233|598-72-1","logHenry":-7.114,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.92,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.496,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.03582,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.8,"MP.Reference":"EPA-CCD-OPERA","MW":153,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"598-72-1"}
{"Compound":"1,1,2-trichloropropane","CAS":"598-77-6","CAS.Checksum":true,"DTXSID":"DTXSID3024362","Formula":"C3H5Cl3","All.Compound.Names":"1,1,2-trichloropropane|Dtxsid3024362","logHenry":-3.111,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.401,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.251,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.89,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.78,"MP.Reference":"EPA-CCD-OPERA","MW":147.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"598-77-6"}
{"Compound":"2-chloropropanoic acid","CAS":"598-78-7","CAS.Checksum":true,"DTXSID":"DTXSID0021545","Formula":"C3H5ClO2","All.Compound.Names":"2-chloropropanoic acid|Dtxsid0021545|598-78-7","logHenry":-6.083,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4377,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.815,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9633,"logWSol.Reference":"EPA-CCD-OPERA","MP":50.61,"MP.Reference":"EPA-CCD-OPERA","MW":108.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"598-78-7"}
{"Compound":"Dibromonitromethane","CAS":"598-91-4","CAS.Checksum":true,"DTXSID":"DTXSID9021637","Formula":"CHBr2NO2","All.Compound.Names":"Dibromonitromethane|Dtxsid9021637","logHenry":-5.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.389,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.359,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9771,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.45,"MP.Reference":"EPA-CCD-OPERA","MW":218.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"598-91-4"}
{"Compound":"Methyl pivalate","CAS":"598-98-1","CAS.Checksum":true,"DTXSID":"DTXSID4027234","Formula":"C6H12O2","All.Compound.Names":"Methyl pivalate|Dtxsid4027234","logHenry":-3.373,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.831,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.259,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.09,"logWSol.Reference":"EPA-CCD-OPERA","MP":-92.4,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"598-98-1"}
{"Compound":"Brimonidine","CAS":"59803-98-4","CAS.Checksum":true,"DTXSID":"DTXSID3045221","Formula":"C11H10BrN5","All.Compound.Names":"Brimonidine|Dtxsid3045221|59803-98-4","logHenry":-9.352,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.223,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.837,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.785,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.5,"MP.Reference":"EPA-CCD-OPERA","MW":292.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.78","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59803-98-4"}
{"Compound":"Ethoheptazine hydrochloride","CAS":"5982-61-6","CAS.Checksum":true,"DTXSID":"DTXSID5048762","Formula":"C16H24ClNO2","All.Compound.Names":"Ethoheptazine hydrochloride|Dtxsid5048762|5982-61-6","logHenry":-7.728,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4852,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.658,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.545,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.7,"MP.Reference":"EPA-CCD-OPERA","MW":297.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5982-61-6"}
{"Compound":"1-(2-ethylcrotonoyl)urea","CAS":"5982-97-8","CAS.Checksum":true,"DTXSID":"DTXSID0049024","Formula":"C7H12N2O2","All.Compound.Names":"1-(2-ethylcrotonoyl)urea|Dtxsid0049024|5982-97-8","logHenry":-8.467,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7399,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.396,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.687,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.9,"MP.Reference":"EPA-CCD-OPERA","MW":156.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5982-97-8"}
{"Compound":"Hc yellow 4","CAS":"59820-43-8","CAS.Checksum":true,"DTXSID":"DTXSID6021458","Formula":"C10H14N2O5","All.Compound.Names":"Hc yellow 4|Dtxsid6021458|59820-43-8","logHenry":-9.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.311,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.218,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.105,"logWSol.Reference":"EPA-CCD-OPERA","MP":156,"MP.Reference":"EPA-CCD-OPERA","MW":242.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59820-43-8"}
{"Compound":"Hydrocotarnine hydrobromide","CAS":"5985-00-2","CAS.Checksum":true,"DTXSID":"DTXSID9045392","Formula":"C12H16BrNO3","All.Compound.Names":"Hydrocotarnine hydrobromide|Dtxsid9045392|5985-00-2","logHenry":-6.808,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.409,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.828,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.263,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.8,"MP.Reference":"EPA-CCD-OPERA","MW":302.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5985-00-2"}
{"Compound":"Benoxinate hydrochloride","CAS":"5987-82-6","CAS.Checksum":true,"DTXSID":"DTXSID4045393","Formula":"C17H29ClN2O3","All.Compound.Names":"Benoxinate hydrochloride|Dtxsid4045393|5987-82-6","logHenry":-8.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6573,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.8,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.176,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.3,"MP.Reference":"EPA-CCD-OPERA","MW":344.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5987-82-6"}
{"Compound":"3,7-dimethyloctanal","CAS":"5988-91-0","CAS.Checksum":true,"DTXSID":"DTXSID4044826","Formula":"C10H20O","All.Compound.Names":"3,7-dimethyloctanal|Dtxsid4044826","logHenry":-3.233,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.875,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8697,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.021,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.704,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5988-91-0"}
{"Compound":"D-limonene","CAS":"5989-27-5","CAS.Checksum":true,"DTXSID":"DTXSID1020778","Formula":"C10H16","All.Compound.Names":"D-limonene|Dtxsid1020778","logHenry":-1.647,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.514,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.203,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.041,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.05,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5989-27-5"}
{"Compound":"(s)-limonene","CAS":"5989-54-8","CAS.Checksum":true,"DTXSID":"DTXSID6047078","Formula":"C10H16","All.Compound.Names":"(s)-limonene|Dtxsid6047078","logHenry":-1.647,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.514,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.203,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.041,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.05,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5989-54-8"}
{"Compound":"3,3'-sulphonyldianiline","CAS":"599-61-1","CAS.Checksum":true,"DTXSID":"DTXSID3044962","Formula":"C12H12N2O2S","All.Compound.Names":"3,3'-sulphonyldianiline|Dtxsid3044962|599-61-1","logHenry":-8.92,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.082,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.987,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.018,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.6,"MP.Reference":"EPA-CCD-OPERA","MW":248.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"599-61-1"}
{"Compound":"Sulfaperin","CAS":"599-88-2","CAS.Checksum":true,"DTXSID":"DTXSID2057782","Formula":"C11H12N4O2S","All.Compound.Names":"Sulfaperin|Dtxsid2057782|599-88-2","logHenry":-10.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3392,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.862,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.82,"logWSol.Reference":"EPA-CCD-OPERA","MP":261.8,"MP.Reference":"EPA-CCD-OPERA","MW":264.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.2","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"599-88-2"}
{"Compound":"Vindesine sulfate salt","CAS":"59917-39-4","CAS.Checksum":true,"DTXSID":"DTXSID0049074","Formula":"C43H57N5O11S","All.Compound.Names":"Vindesine sulfate salt|Dtxsid0049074|59917-39-4","logHenry":-8.821,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6168,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.938,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.589,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.9,"MP.Reference":"EPA-CCD-OPERA","MW":852,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59917-39-4"}
{"Compound":"Vicriviroc maleate","CAS":"599179-03-0","CAS.Checksum":true,"DTXSID":"DTXSID8048656","Formula":"C32H42F3N5O6","All.Compound.Names":"Vicriviroc maleate|Dtxsid8048656|599179-03-0","logHenry":-7.277,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6871,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.99,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.166,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.7,"MP.Reference":"EPA-CCD-OPERA","MW":649.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.78","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"599179-03-0"}
{"Compound":"Malotilate","CAS":"59937-28-9","CAS.Checksum":true,"DTXSID":"DTXSID7046463","Formula":"C12H16O4S2","All.Compound.Names":"Malotilate|Dtxsid7046463","logHenry":-4.908,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.748,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.206,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.113,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.5,"MP.Reference":"EPA-CCD-OPERA","MW":288.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59937-28-9"}
{"Compound":"Cirazoline","CAS":"59939-16-1","CAS.Checksum":true,"DTXSID":"DTXSID4045131","Formula":"C13H16N2O","All.Compound.Names":"Cirazoline|Dtxsid4045131|59939-16-1","logHenry":-8.753,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.963,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.001,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.767,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.1,"MP.Reference":"EPA-CCD-OPERA","MW":216.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.86","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59939-16-1"}
{"Compound":"Sulindac sulfone","CAS":"59973-80-7","CAS.Checksum":true,"DTXSID":"DTXSID6040246","Formula":"C20H17FO4S","All.Compound.Names":"Sulindac sulfone|Dtxsid6040246|59973-80-7","logHenry":-8.767,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.291,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.147,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.532,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.3,"MP.Reference":"EPA-CCD-OPERA","MW":372.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59973-80-7"}
{"Compound":"Ethylenediaminetetraacetic acid","CAS":"60-00-4","CAS.Checksum":true,"DTXSID":"DTXSID6022977","Formula":"C10H16N2O8","All.Compound.Names":"Ethylenediaminetetraacetic acid|Dtxsid6022977|60-00-4","logHenry":-10.64,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.528,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.91,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.466,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.5,"MP.Reference":"EPA-CCD-OPERA","MW":292.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60-00-4"}
{"Compound":"Glycerol tributyrate","CAS":"60-01-5","CAS.Checksum":true,"DTXSID":"DTXSID4052267","Formula":"C15H26O6","All.Compound.Names":"Glycerol tributyrate|Dtxsid4052267","logHenry":-8.41,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.917,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.12,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.848,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.74,"MP.Reference":"EPA-CCD-OPERA","MW":302.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60-01-5"}
{"Compound":"Guanethidine sulfate","CAS":"60-02-6","CAS.Checksum":true,"DTXSID":"DTXSID7046966","Formula":"C20H46N8O4S","All.Compound.Names":"Guanethidine sulfate|Dtxsid7046966|60-02-6","logHenry":-11.23,"logHenry.Reference":"OPERA29","logP":-2.02,"logP.Reference":"OPERA29","logWSol":-1.25,"logWSol.Reference":"OPERA29","MP":157,"MP.Reference":"OPERA29","MW":494.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60-02-6"}
{"Compound":"4-(dimethylamino)azobenzene","CAS":"60-11-7","CAS.Checksum":true,"DTXSID":"DTXSID5020491","Formula":"C14H15N3","All.Compound.Names":"4-(dimethylamino)azobenzene|C.i. solvent yellow 2|Dtxsid5020491|60-11-7","logHenry":-4.779,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.578,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.841,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.987,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.8,"MP.Reference":"EPA-CCD-OPERA","MW":225.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60-11-7"}
{"Compound":"2-phenylethanol","CAS":"60-12-8","CAS.Checksum":true,"DTXSID":"DTXSID9026342","Formula":"C8H10O","All.Compound.Names":"2-phenylethanol|Dtxsid9026342|60-12-8","logHenry":-6.585,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.361,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.754,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7416,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.46,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60-12-8"}
{"Compound":"L-tyrosine","CAS":"60-18-4","CAS.Checksum":true,"DTXSID":"DTXSID1023730","Formula":"C9H11NO3","All.Compound.Names":"L-tyrosine|Dtxsid1023730|60-18-4","logHenry":-8.414,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.251,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.57,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.587,"logWSol.Reference":"EPA-CCD-OPERA","MP":275.9,"MP.Reference":"EPA-CCD-OPERA","MW":181.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60-18-4"}
{"Compound":"Tyramine hydrochloride","CAS":"60-19-5","CAS.Checksum":true,"DTXSID":"DTXSID8034087","Formula":"C8H12ClNO","All.Compound.Names":"Tyramine hydrochloride|Dtxsid8034087|60-19-5","logHenry":-7.053,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.967,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.818,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.12,"logWSol.Reference":"EPA-CCD-OPERA","MP":272.4,"MP.Reference":"EPA-CCD-OPERA","MW":173.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60-19-5"}
{"Compound":"Cysteamine","CAS":"60-23-1","CAS.Checksum":true,"DTXSID":"DTXSID3022875","Formula":"C2H7NS","All.Compound.Names":"Cysteamine|Dtxsid3022875|60-23-1","logHenry":-5.718,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7188,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.798,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6075,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.96,"MP.Reference":"EPA-CCD-OPERA","MW":77.15,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.08","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60-23-1"}
{"Compound":"N,n,n,n',n',n'-hexamethylhexane-1,6-diaminium dichloride","CAS":"60-25-3","CAS.Checksum":true,"DTXSID":"DTXSID3044700","Formula":"C12H30Cl2N2","All.Compound.Names":"N,n,n,n',n',n'-hexamethylhexane-1,6-diaminium dichloride|Dtxsid3044700|60-25-3","logHenry":-1.174,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.557,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.406,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6771,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.6,"MP.Reference":"EPA-CCD-OPERA","MW":273.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60-25-3"}
{"Compound":"N,n,n,n',n',n'-hexamethylhexane-1,6-diaminium","CAS":"60-26-4","CAS.Checksum":true,"DTXSID":"DTXSID9045053","Formula":"C12H30N2","All.Compound.Names":"N,n,n,n',n',n'-hexamethylhexane-1,6-diaminium|Dtxsid9045053|60-26-4","logHenry":-1.174,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.345,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.503,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6772,"logWSol.Reference":"EPA-CCD-OPERA","MP":-54.69,"MP.Reference":"EPA-CCD-OPERA","MW":202.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60-26-4"}
{"Compound":"Creatinine","CAS":"60-27-5","CAS.Checksum":true,"DTXSID":"DTXSID8045987","Formula":"C4H7N3O","All.Compound.Names":"Creatinine|Dtxsid8045987|60-27-5","logHenry":-8.178,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.757,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.125,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.318,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.5,"MP.Reference":"EPA-CCD-OPERA","MW":113.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60-27-5"}
{"Compound":"Acetylcholine chloride","CAS":"60-31-1","CAS.Checksum":true,"DTXSID":"DTXSID5048978","Formula":"C7H16ClNO2","All.Compound.Names":"Acetylcholine chloride|Dtxsid5048978|60-31-1","logHenry":-3.367,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.015,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.029,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.09005,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.4,"MP.Reference":"EPA-CCD-OPERA","MW":181.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60-31-1"}
{"Compound":"Linoleic acid","CAS":"60-33-3","CAS.Checksum":true,"DTXSID":"DTXSID2025505","Formula":"C18H32O2","All.Compound.Names":"Linoleic acid|Dtxsid2025505|60-33-3","logHenry":-7.438,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.05,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.564,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.104,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.128,"MP.Reference":"EPA-CCD-OPERA","MW":280.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60-33-3"}
{"Compound":"Acetamide","CAS":"60-35-5","CAS.Checksum":true,"DTXSID":"DTXSID7020005","Formula":"C2H5NO","All.Compound.Names":"Acetamide|Dtxsid7020005|60-35-5","logHenry":-7.054,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.175,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.419,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.576,"logWSol.Reference":"EPA-CCD-OPERA","MP":81.03,"MP.Reference":"EPA-CCD-OPERA","MW":59.07,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60-35-5"}
{"Compound":"Mecamylamine","CAS":"60-40-2","CAS.Checksum":true,"DTXSID":"DTXSID0023240","Formula":"C11H21N","All.Compound.Names":"Mecamylamine|60-40-2|Dtxsid0023240","logHenry":-4.389,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.362,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.853,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.762,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.683,"MP.Reference":"EPA-CCD-OPERA","MW":167.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"60-40-2"}
{"Compound":"Strychnine hemisulphate salt","CAS":"60-41-3","CAS.Checksum":true,"DTXSID":"DTXSID8021721","Formula":"C42H46N4O8S","All.Compound.Names":"Strychnine hemisulphate salt|Dtxsid8021721|60-41-3","logHenry":-8.168,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.248,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.93,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.323,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.1,"MP.Reference":"EPA-CCD-OPERA","MW":766.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60-41-3"}
{"Compound":"Ergonovine","CAS":"60-79-7","CAS.Checksum":true,"DTXSID":"DTXSID8046323","Formula":"C19H23N3O2","All.Compound.Names":"Ergonovine|Ergometrine|60-79-7|Dtxsid8046323","logHenry":-9.557,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.519,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.824,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.647,"logWSol.Reference":"EPA-CCD-OPERA","MP":162,"MP.Reference":"EPA-CCD-OPERA","MW":325.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.15","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"60-79-7"}
{"Compound":"Phloretin","CAS":"60-82-2","CAS.Checksum":true,"DTXSID":"DTXSID6022393","Formula":"C15H14O5","All.Compound.Names":"Phloretin|3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one|Dtxsid6022393|60-82-2","logHenry":-7.973,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.848,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.545,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.234,"logWSol.Reference":"EPA-CCD-OPERA","MP":226.1,"MP.Reference":"EPA-CCD-OPERA","MW":274.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60-82-2"}
{"Compound":"Pecazine","CAS":"60-89-9","CAS.Checksum":true,"DTXSID":"DTXSID2046177","Formula":"C19H22N2S","All.Compound.Names":"Pecazine|Dtxsid2046177|60-89-9","logHenry":-5.339,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.261,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.104,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.744,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.15,"MP.Reference":"EPA-CCD-OPERA","MW":310.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60-89-9"}
{"Compound":"Camp","CAS":"60-92-4","CAS.Checksum":true,"DTXSID":"DTXSID8040436","Formula":"C10H12N5O6P","All.Compound.Names":"Camp|Cyclic amp|Dtxsid8040436|60-92-4","logHenry":-9.854,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.957,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.28,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.667,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.5,"MP.Reference":"EPA-CCD-OPERA","MW":329.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60-92-4"}
{"Compound":"2,3-dibromopropionic acid","CAS":"600-05-5","CAS.Checksum":true,"DTXSID":"DTXSID3032832","Formula":"C3H4Br2O2","All.Compound.Names":"2,3-dibromopropionic acid|Dtxsid3032832|600-05-5","logHenry":-8.393,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.695,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.396,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.713,"logWSol.Reference":"EPA-CCD-OPERA","MP":66.42,"MP.Reference":"EPA-CCD-OPERA","MW":231.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"600-05-5"}
{"Compound":"Methylpyruvate","CAS":"600-22-6","CAS.Checksum":true,"DTXSID":"DTXSID9049326","Formula":"C4H6O3","All.Compound.Names":"Methylpyruvate|Dtxsid9049326","logHenry":-6.359,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1307,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01839,"logWSol.Reference":"EPA-CCD-OPERA","MP":-55.6,"MP.Reference":"EPA-CCD-OPERA","MW":102.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"600-22-6"}
{"Compound":"1-chloro-1-nitropropane","CAS":"600-25-9","CAS.Checksum":true,"DTXSID":"DTXSID2024797","Formula":"C3H6ClNO2","All.Compound.Names":"1-chloro-1-nitropropane|Dtxsid2024797","logHenry":-4.595,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.211,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.933,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.191,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.98,"MP.Reference":"EPA-CCD-OPERA","MW":123.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"600-25-9"}
{"Compound":"Hydrocortisone sodium phosphate","CAS":"6000-74-4","CAS.Checksum":true,"DTXSID":"DTXSID5046647","Formula":"C21H29Na2O8P","All.Compound.Names":"Hydrocortisone sodium phosphate|Dtxsid5046647|6000-74-4","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.122,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.326,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9099,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.7,"MP.Reference":"EPA-CCD-OPERA","MW":486.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.92","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6000-74-4"}
{"Compound":"Pyrimidine-2,4,5,6(1h,3h)-tetrone tetrahydrate","CAS":"6010-91-9","CAS.Checksum":true,"DTXSID":"DTXSID5047241","Formula":"C4H10N2O8","All.Compound.Names":"Pyrimidine-2,4,5,6(1h,3h)-tetrone tetrahydrate|Dtxsid5047241|6010-91-9","logHenry":-8.47,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9823,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.146,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.25,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.3,"MP.Reference":"EPA-CCD-OPERA","MW":214.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6010-91-9"}
{"Compound":"Tetrachlorothiophene","CAS":"6012-97-1","CAS.Checksum":true,"DTXSID":"DTXSID5042451","Formula":"C4Cl4S","All.Compound.Names":"Tetrachlorothiophene|Dtxsid5042451","logHenry":-3.113,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.337,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.484,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.212,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.56,"MP.Reference":"EPA-CCD-OPERA","MW":221.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6012-97-1"}
{"Compound":"Trans-2-methoxycinnamaldehyde","CAS":"60125-24-8","CAS.Checksum":true,"DTXSID":"DTXSID4047206","Formula":"C10H10O2","All.Compound.Names":"Trans-2-methoxycinnamaldehyde|Dtxsid4047206","logHenry":-3.905,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.027,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.812,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.827,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.21,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60125-24-8"}
{"Compound":"1,8-dinitronaphthalene","CAS":"602-38-0","CAS.Checksum":true,"DTXSID":"DTXSID9025166","Formula":"C10H6N2O4","All.Compound.Names":"1,8-dinitronaphthalene|Dtxsid9025166","logHenry":-6.359,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.521,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.729,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.439,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.4,"MP.Reference":"EPA-CCD-OPERA","MW":218.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"602-38-0"}
{"Compound":"Thiocolchicoside","CAS":"602-41-5","CAS.Checksum":true,"DTXSID":"DTXSID5045330","Formula":"C27H33NO10S","All.Compound.Names":"Thiocolchicoside|Dtxsid5045330|602-41-5","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.512,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.011,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.695,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.7,"MP.Reference":"EPA-CCD-OPERA","MW":563.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"602-41-5"}
{"Compound":"9-nitroanthracene","CAS":"602-60-8","CAS.Checksum":true,"DTXSID":"DTXSID5025730","Formula":"C14H9NO2","All.Compound.Names":"9-nitroanthracene|Dtxsid5025730","logHenry":-6.919,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.777,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.593,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.289,"logWSol.Reference":"EPA-CCD-OPERA","MP":146,"MP.Reference":"EPA-CCD-OPERA","MW":223.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"602-60-8"}
{"Compound":"5-nitroacenaphthene","CAS":"602-87-9","CAS.Checksum":true,"DTXSID":"DTXSID3020960","Formula":"C12H9NO2","All.Compound.Names":"5-nitroacenaphthene|Dtxsid3020960","logHenry":-5.047,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.85,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.608,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.341,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.5,"MP.Reference":"EPA-CCD-OPERA","MW":199.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"602-87-9"}
{"Compound":"Clorsulon","CAS":"60200-06-8","CAS.Checksum":true,"DTXSID":"DTXSID8045488","Formula":"C8H8Cl3N3O4S2","All.Compound.Names":"Clorsulon|Dtxsid8045488|60200-06-8","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2173,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.024,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.009,"logWSol.Reference":"EPA-CCD-OPERA","MP":203,"MP.Reference":"EPA-CCD-OPERA","MW":380.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60200-06-8"}
{"Compound":"Azaconazole","CAS":"60207-31-0","CAS.Checksum":true,"DTXSID":"DTXSID3041613","Formula":"C12H11Cl2N3O2","All.Compound.Names":"Azaconazole|Dtxsid3041613|60207-31-0","logHenry":-6.469,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.321,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.671,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3,"logWSol.Reference":"EPA-CCD-OPERA","MP":81.73,"MP.Reference":"EPA-CCD-OPERA","MW":300.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60207-31-0"}
{"Compound":"Etaconazole","CAS":"60207-93-4","CAS.Checksum":true,"DTXSID":"DTXSID2041913","Formula":"C14H15Cl2N3O2","All.Compound.Names":"Etaconazole|Dtxsid2041913|60207-93-4","logHenry":-5.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.1,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.552,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.61,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.99,"MP.Reference":"EPA-CCD-OPERA","MW":328.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60207-93-4"}
{"Compound":"Proxyphylline","CAS":"603-00-9","CAS.Checksum":true,"DTXSID":"DTXSID5023536","Formula":"C10H14N4O3","All.Compound.Names":"Proxyphylline|603-00-9|Dtxsid5023536","logHenry":-9.645,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7691,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.64,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6201,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.6,"MP.Reference":"EPA-CCD-OPERA","MW":238.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"603-00-9"}
{"Compound":"Triphenylbismuth","CAS":"603-33-8","CAS.Checksum":true,"DTXSID":"DTXSID6042498","Formula":"C18H15Bi","All.Compound.Names":"Triphenylbismuth","MW":440.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"603-33-8"}
{"Compound":"Triphenylphosphine","CAS":"603-35-0","CAS.Checksum":true,"DTXSID":"DTXSID5026251","Formula":"C18H15P","All.Compound.Names":"Triphenylphosphine|Dtxsid5026251","logHenry":-5.901,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.689,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.185,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.774,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.23,"MP.Reference":"EPA-CCD-OPERA","MW":262.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"603-35-0"}
{"Compound":"Triphenylstibine","CAS":"603-36-1","CAS.Checksum":true,"DTXSID":"DTXSID4052269","Formula":"C18H15Sb","All.Compound.Names":"Triphenylstibine","MW":353.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"603-36-1"}
{"Compound":"Bisacodyl","CAS":"603-50-9","CAS.Checksum":true,"DTXSID":"DTXSID1022681","Formula":"C22H19NO4","All.Compound.Names":"Bisacodyl|603-50-9|Dtxsid1022681","logHenry":-8.128,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.933,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.774,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.778,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.5,"MP.Reference":"EPA-CCD-OPERA","MW":361.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.15,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"603-50-9"}
{"Compound":"2-methyl-3-nitroaniline","CAS":"603-83-8","CAS.Checksum":true,"DTXSID":"DTXSID8025628","Formula":"C7H8N2O2","All.Compound.Names":"2-methyl-3-nitroaniline|Dtxsid8025628|603-83-8","logHenry":-7.255,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.421,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.169,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.246,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.68,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"603-83-8"}
{"Compound":"Sulprostone","CAS":"60325-46-4","CAS.Checksum":true,"DTXSID":"DTXSID5049029","Formula":"C23H31NO7S","All.Compound.Names":"Sulprostone|Dtxsid5049029|60325-46-4","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.545,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.863,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.766,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.8,"MP.Reference":"EPA-CCD-OPERA","MW":465.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60325-46-4"}
{"Compound":"2,2',4,4',5-pentabromodiphenyl ether","CAS":"60348-60-9","CAS.Checksum":true,"DTXSID":"DTXSID9030048","Formula":"C12H5Br5O","All.Compound.Names":"2,2',4,4',5-pentabromodiphenyl ether|Dtxsid9030048","logHenry":-3.279,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.321,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.027,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.746,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.5,"MP.Reference":"EPA-CCD-OPERA","MW":564.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60348-60-9"}
{"Compound":"Calcium folinate pentahydrate","CAS":"6035-45-6","CAS.Checksum":true,"DTXSID":"DTXSID3036999","Formula":"C20H31CaN7O12","All.Compound.Names":"Calcium folinate pentahydrate|Dtxsid3036999|6035-45-6","logHenry":-10.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7019,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.24,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.35,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.3,"MP.Reference":"EPA-CCD-OPERA","MW":601.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6035-45-6"}
{"Compound":"Hydroxymethanesulfinic acid monosodium salt dihydrate","CAS":"6035-47-8","CAS.Checksum":true,"DTXSID":"DTXSID4049030","Formula":"CH7NaO5S","All.Compound.Names":"Hydroxymethanesulfinic acid monosodium salt dihydrate|Dtxsid4049030|6035-47-8","logHenry":-7.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.624,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.218,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.537,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.7,"MP.Reference":"EPA-CCD-OPERA","MW":154.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6035-47-8"}
{"Compound":"N-(2,4-dimethylphenyl)formamide","CAS":"60397-77-5","CAS.Checksum":true,"DTXSID":"DTXSID6037697","Formula":"C9H11NO","All.Compound.Names":"N-(2,4-dimethylphenyl)formamide|Dtxsid6037697|60397-77-5","logHenry":-7.187,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.468,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.028,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.805,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.3,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60397-77-5"}
{"Compound":"Amiprilose hydrochloride","CAS":"60414-06-4","CAS.Checksum":true,"DTXSID":"DTXSID5045883","Formula":"C14H28ClNO6","All.Compound.Names":"Amiprilose hydrochloride|Dtxsid5045883|60414-06-4","logHenry":-8.794,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4143,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.837,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9147,"logWSol.Reference":"EPA-CCD-OPERA","MP":113,"MP.Reference":"EPA-CCD-OPERA","MW":341.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60414-06-4"}
{"Compound":"2-hydroxyanthraquinone","CAS":"605-32-3","CAS.Checksum":true,"DTXSID":"DTXSID4049327","Formula":"C14H8O3","All.Compound.Names":"2-hydroxyanthraquinone|Dtxsid4049327|605-32-3","logHenry":-9.004,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.371,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.091,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.307,"logWSol.Reference":"EPA-CCD-OPERA","MP":305.8,"MP.Reference":"EPA-CCD-OPERA","MW":224.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"605-32-3"}
{"Compound":"Diisopropyl phthalate","CAS":"605-45-8","CAS.Checksum":true,"DTXSID":"DTXSID2040731","Formula":"C14H18O4","All.Compound.Names":"Diisopropyl phthalate|Dtxsid2040731","logHenry":-7.031,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.831,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.607,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.885,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.259,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"605-45-8"}
{"Compound":"1,5-dinitronaphthalene","CAS":"605-71-0","CAS.Checksum":true,"DTXSID":"DTXSID4025165","Formula":"C10H6N2O4","All.Compound.Names":"1,5-dinitronaphthalene|Dtxsid4025165","logHenry":-6.329,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.58,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.746,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.2,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.5,"MP.Reference":"EPA-CCD-OPERA","MW":218.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"605-71-0"}
{"Compound":"Carbocyanine","CAS":"605-91-4","CAS.Checksum":true,"DTXSID":"DTXSID9046576","Formula":"C25H25IN2","All.Compound.Names":"Carbocyanine|Dtxsid9046576|605-91-4","logHenry":-7.187,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.733,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.956,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.713,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.9,"MP.Reference":"EPA-CCD-OPERA","MW":480.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"605-91-4"}
{"Compound":"Dipentaerythritol pentaacrylate","CAS":"60506-81-2","CAS.Checksum":true,"DTXSID":"DTXSID7041887","Formula":"C25H32O12","All.Compound.Names":"Dipentaerythritol pentaacrylate|Dtxsid7041887|60506-81-2","logHenry":-10.15,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.102,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.172,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.053,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.5,"MP.Reference":"EPA-CCD-OPERA","MW":524.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60506-81-2"}
{"Compound":"5,6-benzoflavone","CAS":"6051-87-2","CAS.Checksum":true,"DTXSID":"DTXSID8030423","Formula":"C19H12O2","All.Compound.Names":"5,6-benzoflavone|Dtxsid8030423","logHenry":-6.916,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.779,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.793,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.613,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.7,"MP.Reference":"EPA-CCD-OPERA","MW":272.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6051-87-2"}
{"Compound":"Olsalazine sodium","CAS":"6054-98-4","CAS.Checksum":true,"DTXSID":"DTXSID3046796","Formula":"C14H8N2Na2O6","All.Compound.Names":"Olsalazine sodium|Dtxsid3046796|6054-98-4","logHenry":-9.412,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8612,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.25,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.562,"logWSol.Reference":"EPA-CCD-OPERA","MP":202,"MP.Reference":"EPA-CCD-OPERA","MW":346.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6054-98-4"}
{"Compound":"Sufentanil citrate","CAS":"60561-17-3","CAS.Checksum":true,"DTXSID":"DTXSID5048928","Formula":"C28H38N2O9S","All.Compound.Names":"Sufentanil citrate|Dtxsid5048928|60561-17-3","logHenry":-6.944,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.837,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.85,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.713,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.8,"MP.Reference":"EPA-CCD-OPERA","MW":578.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60561-17-3"}
{"Compound":"N-nitrosobis(2-oxopropyl)amine","CAS":"60599-38-4","CAS.Checksum":true,"DTXSID":"DTXSID2021022","Formula":"C6H10N2O3","All.Compound.Names":"N-nitrosobis(2-oxopropyl)amine|Dtxsid2021022|1,1'-(nitrosoimino)bis[2-propanone]|60599-38-4","logHenry":-7.066,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.104,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.519,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01484,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.05,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60599-38-4"}
{"Compound":"Iodipamide","CAS":"606-17-7","CAS.Checksum":true,"DTXSID":"DTXSID6023153","Formula":"C20H14I6N2O6","All.Compound.Names":"Iodipamide|Adipic acid di(3-carboxy-2,4,6-triiodoanilide)|Dtxsid6023153|606-17-7","logHenry":-9.226,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.885,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.672,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.354,"logWSol.Reference":"EPA-CCD-OPERA","MP":233.2,"MP.Reference":"EPA-CCD-OPERA","MW":1140,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"606-17-7"}
{"Compound":"1,3-dinitronaphthalene","CAS":"606-37-1","CAS.Checksum":true,"DTXSID":"DTXSID9025164","Formula":"C10H6N2O4","All.Compound.Names":"1,3-dinitronaphthalene|Dtxsid9025164","logHenry":-6.354,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.829,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.42,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.453,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.3,"MP.Reference":"EPA-CCD-OPERA","MW":218.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"606-37-1"}
{"Compound":"Methyl 2-methoxybenzoate","CAS":"606-45-1","CAS.Checksum":true,"DTXSID":"DTXSID5047087","Formula":"C9H10O3","All.Compound.Names":"Methyl 2-methoxybenzoate|Dtxsid5047087","logHenry":-6.079,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.039,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.019,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.139,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.44,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"606-45-1"}
{"Compound":"Oxatomide","CAS":"60607-34-3","CAS.Checksum":true,"DTXSID":"DTXSID4045181","Formula":"C27H30N4O","All.Compound.Names":"Oxatomide|Dtxsid4045181|60607-34-3","logHenry":-8.862,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.403,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.788,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.867,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.6,"MP.Reference":"EPA-CCD-OPERA","MW":426.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.4","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60607-34-3"}
{"Compound":"Selumetinib","CAS":"606143-52-6","CAS.Checksum":true,"DTXSID":"DTXSID3048944","Formula":"C17H15BrClFN4O3","All.Compound.Names":"Selumetinib|Dtxsid3048944|606143-52-6","logHenry":-10.29,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.051,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.284,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.735,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.6,"MP.Reference":"EPA-CCD-OPERA","MW":457.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"606143-52-6"}
{"Compound":"Bifonazole","CAS":"60628-96-8","CAS.Checksum":true,"DTXSID":"DTXSID9045631","Formula":"C22H18N2","All.Compound.Names":"Bifonazole|Dtxsid9045631|60628-96-8","logHenry":-6.219,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.771,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.921,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.948,"logWSol.Reference":"EPA-CCD-OPERA","MP":174,"MP.Reference":"EPA-CCD-OPERA","MW":310.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60628-96-8"}
{"Compound":"Salicylic acid dihydrogen phosphate","CAS":"6064-83-1","CAS.Checksum":true,"DTXSID":"DTXSID9045394","Formula":"C7H7O6P","All.Compound.Names":"Salicylic acid dihydrogen phosphate|Dtxsid9045394|6064-83-1","logHenry":-10.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2672,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.061,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2261,"logWSol.Reference":"EPA-CCD-OPERA","MP":169,"MP.Reference":"EPA-CCD-OPERA","MW":218.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6064-83-1"}
{"Compound":"Diethyl dipropylmalonate","CAS":"6065-63-0","CAS.Checksum":true,"DTXSID":"DTXSID7057783","Formula":"C13H24O4","All.Compound.Names":"Diethyl dipropylmalonate|Dtxsid7057783","logHenry":-6.713,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.512,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.366,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.255,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.281,"MP.Reference":"EPA-CCD-OPERA","MW":244.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6065-63-0"}
{"Compound":"Alafosfalin","CAS":"60668-24-8","CAS.Checksum":true,"DTXSID":"DTXSID6046393","Formula":"C5H13N2O4P","All.Compound.Names":"Alafosfalin|60668-24-8|Dtxsid6046393","logHenry":-10.36,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.505,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.14,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1671,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.1,"MP.Reference":"EPA-CCD-OPERA","MW":196.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"60668-24-8"}
{"Compound":"1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-amine hydrochloride","CAS":"60676-84-8","CAS.Checksum":true,"DTXSID":"DTXSID0048890","Formula":"C11H16ClNO3","All.Compound.Names":"1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-amine hydrochloride|5-methoxy-3,4-methylenedioxyamphetamine hydrochloride|Dtxsid0048890|60676-84-8","logHenry":-9.158,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7071,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.967,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.935,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.5,"MP.Reference":"EPA-CCD-OPERA","MW":245.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.52","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60676-84-8"}
{"Compound":"8-nitroquinoline","CAS":"607-35-2","CAS.Checksum":true,"DTXSID":"DTXSID6020985","Formula":"C9H6N2O2","All.Compound.Names":"8-nitroquinoline|Dtxsid6020985|607-35-2","logHenry":-6.015,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.402,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.733,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.625,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.47,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"607-35-2"}
{"Compound":"2-nitrofluorene","CAS":"607-57-8","CAS.Checksum":true,"DTXSID":"DTXSID2020971","Formula":"C13H9NO2","All.Compound.Names":"2-nitrofluorene|2-nitro fluorene|Dtxsid2020971","logHenry":-5.046,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.381,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.164,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.988,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.5,"MP.Reference":"EPA-CCD-OPERA","MW":211.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9.537","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"1,0,1","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"607-57-8"}
{"Compound":"Salicylic acid p-tolyl ester","CAS":"607-88-5","CAS.Checksum":true,"DTXSID":"DTXSID3047508","Formula":"C14H12O3","All.Compound.Names":"Salicylic acid p-tolyl ester|Dtxsid3047508|607-88-5","logHenry":-8.838,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.296,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.927,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.508,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.32,"MP.Reference":"EPA-CCD-OPERA","MW":228.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"607-88-5"}
{"Compound":"Propyl salicylate","CAS":"607-90-9","CAS.Checksum":true,"DTXSID":"DTXSID3046790","Formula":"C10H12O3","All.Compound.Names":"Propyl salicylate|Dtxsid3046790|607-90-9","logHenry":-8.237,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.793,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.946,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.096,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.61,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"607-90-9"}
{"Compound":"Myristicin","CAS":"607-91-0","CAS.Checksum":true,"DTXSID":"DTXSID1025693","Formula":"C11H12O3","All.Compound.Names":"Myristicin|Dtxsid1025693","logHenry":-5.119,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.93,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.033,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.619,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.82,"MP.Reference":"EPA-CCD-OPERA","MW":192.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"607-91-0"}
{"Compound":"Alaproclate","CAS":"60719-82-6","CAS.Checksum":true,"DTXSID":"DTXSID5045122","Formula":"C13H18ClNO2","All.Compound.Names":"Alaproclate|Dtxsid5045122|60719-82-6","logHenry":-8.794,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.051,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.261,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.252,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.1,"MP.Reference":"EPA-CCD-OPERA","MW":255.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60719-82-6"}
{"Compound":"2-methyl-1,3-benzenediol","CAS":"608-25-3","CAS.Checksum":true,"DTXSID":"DTXSID0025571","Formula":"C7H8O2","All.Compound.Names":"2-methyl-1,3-benzenediol|Dtxsid0025571|608-25-3","logHenry":-6.786,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9614,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.616,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3255,"logWSol.Reference":"EPA-CCD-OPERA","MP":119.9,"MP.Reference":"EPA-CCD-OPERA","MW":124.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"608-25-3"}
{"Compound":"D-galactitol","CAS":"608-66-2","CAS.Checksum":true,"DTXSID":"DTXSID1046051","Formula":"C6H14O6","All.Compound.Names":"D-galactitol|Dtxsid1046051|608-66-2","logHenry":-8.73,"logHenry.Reference":"OPERA29","logP":-2.38,"logP.Reference":"OPERA29","logWSol":0.52,"logWSol.Reference":"OPERA29","MP":168,"MP.Reference":"OPERA29","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"608-66-2"}
{"Compound":"Pentabromophenol","CAS":"608-71-9","CAS.Checksum":true,"DTXSID":"DTXSID9022079","Formula":"C6HBr5O","All.Compound.Names":"Pentabromophenol|Dtxsid9022079|608-71-9","logHenry":-2.154,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.049,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.735,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.115,"logWSol.Reference":"EPA-CCD-OPERA","MP":229.3,"MP.Reference":"EPA-CCD-OPERA","MW":488.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"608-71-9"}
{"Compound":"Decominol hydrochloride","CAS":"60812-23-9","CAS.Checksum":true,"DTXSID":"DTXSID4046529","Formula":"C13H30ClNO2","All.Compound.Names":"Decominol hydrochloride|Dtxsid4046529|60812-23-9","logHenry":-5.473,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3493,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.818,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.529,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.9,"MP.Reference":"EPA-CCD-OPERA","MW":267.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60812-23-9"}
{"Compound":"1-methyl-1-propylpyrrolidinium bromide","CAS":"608140-09-6","CAS.Checksum":true,"DTXSID":"DTXSID9049328","Formula":"C8H18BrN","All.Compound.Names":"1-methyl-1-propylpyrrolidinium bromide|Dtxsid9049328|608140-09-6","logHenry":-1.101,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.062,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.455,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.00873,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.5,"MP.Reference":"EPA-CCD-OPERA","MW":208.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"608140-09-6"}
{"Compound":"1-methyl-1-propylpiperidinium bis(trifluoromethylsulfonyl)imide","CAS":"608140-12-1","CAS.Checksum":true,"DTXSID":"DTXSID4049329","Formula":"C11H20F6N2O4S2","All.Compound.Names":"1-methyl-1-propylpiperidinium bis(trifluoromethylsulfonyl)imide","MW":422.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"608140-12-1"}
{"Compound":"4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzoic acid","CAS":"60875-16-3","CAS.Checksum":true,"DTXSID":"DTXSID8044963","Formula":"C11H10N2O3","All.Compound.Names":"4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzoic acid|Dtxsid8044963|60875-16-3","logHenry":-8.067,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.036,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.002,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.546,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.6,"MP.Reference":"EPA-CCD-OPERA","MW":218.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60875-16-3"}
{"Compound":"6-hydroxy-2-naphthyl disulfide","CAS":"6088-51-3","CAS.Checksum":true,"DTXSID":"DTXSID7025429","Formula":"C20H14O2S2","All.Compound.Names":"6-hydroxy-2-naphthyl disulfide|Dtxsid7025429|6088-51-3","logHenry":-8.836,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.033,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.548,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.208,"logWSol.Reference":"EPA-CCD-OPERA","MP":282.2,"MP.Reference":"EPA-CCD-OPERA","MW":350.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6088-51-3"}
{"Compound":"Ethyl-2-methyl acetoacetate","CAS":"609-14-3","CAS.Checksum":true,"DTXSID":"DTXSID2033493","Formula":"C7H12O3","All.Compound.Names":"Ethyl-2-methyl acetoacetate|Dtxsid2033493","logHenry":-5.753,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7938,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.351,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6845,"logWSol.Reference":"EPA-CCD-OPERA","MP":-33.23,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"609-14-3"}
{"Compound":"Ethyl 2-chloroacetoacetate","CAS":"609-15-4","CAS.Checksum":true,"DTXSID":"DTXSID3049330","Formula":"C6H9ClO3","All.Compound.Names":"Ethyl 2-chloroacetoacetate|Dtxsid3049330","logHenry":-5.968,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9967,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.433,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7604,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.52,"MP.Reference":"EPA-CCD-OPERA","MW":164.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"609-15-4"}
{"Compound":"3,4,5-trichlorophenol","CAS":"609-19-8","CAS.Checksum":true,"DTXSID":"DTXSID4026212","Formula":"C6H3Cl3O","All.Compound.Names":"3,4,5-trichlorophenol|Dtxsid4026212|609-19-8","logHenry":-6.613,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.007,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.725,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.484,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.8,"MP.Reference":"EPA-CCD-OPERA","MW":197.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"609-19-8"}
{"Compound":"2,6-dichloro-1,4-benzenediamine","CAS":"609-20-1","CAS.Checksum":true,"DTXSID":"DTXSID7020427","Formula":"C6H6Cl2N2","All.Compound.Names":"2,6-dichloro-1,4-benzenediamine|Dtxsid7020427|609-20-1","logHenry":-6.873,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.901,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.037,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.504,"logWSol.Reference":"EPA-CCD-OPERA","MP":127.9,"MP.Reference":"EPA-CCD-OPERA","MW":177,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"609-20-1"}
{"Compound":"2,4,6-triiodophenol","CAS":"609-23-4","CAS.Checksum":true,"DTXSID":"DTXSID8022080","Formula":"C6H3I3O","All.Compound.Names":"2,4,6-triiodophenol|Dtxsid8022080|609-23-4","logHenry":-6.531,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.499,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.142,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.585,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.7,"MP.Reference":"EPA-CCD-OPERA","MW":471.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"609-23-4"}
{"Compound":"Proline","CAS":"609-36-9","CAS.Checksum":true,"DTXSID":"DTXSID9041104","Formula":"C5H9NO2","All.Compound.Names":"Proline|Dl-proline|Dtxsid9041104|609-36-9","logHenry":-6.328,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.541,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.906,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4814,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.2,"MP.Reference":"EPA-CCD-OPERA","MW":115.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.86","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"609-36-9"}
{"Compound":"2,5-dimethylbenzenesulfonic acid","CAS":"609-54-1","CAS.Checksum":true,"DTXSID":"DTXSID5041641","Formula":"C8H10O3S","All.Compound.Names":"2,5-dimethylbenzenesulfonic acid|Dtxsid5041641|609-54-1","logHenry":-7.871,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.079,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.305,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1014,"logWSol.Reference":"EPA-CCD-OPERA","MP":68,"MP.Reference":"EPA-CCD-OPERA","MW":186.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"609-54-1"}
{"Compound":"2-chlorobenzamide","CAS":"609-66-5","CAS.Checksum":true,"DTXSID":"DTXSID3052278","Formula":"C7H6ClNO","All.Compound.Names":"2-chlorobenzamide|Dtxsid3052278|609-66-5","logHenry":-8.723,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6452,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.805,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8866,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.5,"MP.Reference":"EPA-CCD-OPERA","MW":155.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"609-66-5"}
{"Compound":"4-methyl-2,6-dinitrophenol","CAS":"609-93-8","CAS.Checksum":true,"DTXSID":"DTXSID9027239","Formula":"C7H6N2O5","All.Compound.Names":"4-methyl-2,6-dinitrophenol|Dtxsid9027239|609-93-8","logHenry":-7.274,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.853,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.617,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.113,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.08,"MP.Reference":"EPA-CCD-OPERA","MW":198.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"609-93-8"}
{"Compound":"Cycotiamine","CAS":"6092-18-8","CAS.Checksum":true,"DTXSID":"DTXSID2057784","Formula":"C13H16N4O3S","All.Compound.Names":"Cycotiamine|Dtxsid2057784|6092-18-8","logHenry":-11,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1488,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.54,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.098,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.2,"MP.Reference":"EPA-CCD-OPERA","MW":308.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6092-18-8"}
{"Compound":"2-methylpent-1-ene","CAS":"6094-02-6","CAS.Checksum":true,"DTXSID":"DTXSID9052505","Formula":"C7H14","All.Compound.Names":"2-methylpent-1-ene|2-methyl-1-hexene|Dtxsid9052505","logHenry":-0.6859,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.72,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5015,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.037,"logWSol.Reference":"EPA-CCD-OPERA","MP":-118.7,"MP.Reference":"EPA-CCD-OPERA","MW":98.19,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6094-02-6"}
{"Compound":"Ebselen","CAS":"60940-34-3","CAS.Checksum":true,"DTXSID":"DTXSID7045150","Formula":"C13H9NOSe","All.Compound.Names":"Ebselen|Dtxsid7045150|60940-34-3","logHenry":-6.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.125,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.253,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.667,"logWSol.Reference":"EPA-CCD-OPERA","MP":99.08,"MP.Reference":"EPA-CCD-OPERA","MW":274.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-4.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60940-34-3"}
{"Compound":"1,3,5-trihydroxybenzene dihydrate","CAS":"6099-90-7","CAS.Checksum":true,"DTXSID":"DTXSID3046586","Formula":"C6H10O5","All.Compound.Names":"1,3,5-trihydroxybenzene dihydrate|Dtxsid3046586|6099-90-7","logHenry":-7.646,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3474,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.911,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.074,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.8,"MP.Reference":"EPA-CCD-OPERA","MW":162.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6099-90-7"}
{"Compound":"Methoxamine hydrochloride","CAS":"61-16-5","CAS.Checksum":true,"DTXSID":"DTXSID7045782","Formula":"C11H18ClNO3","All.Compound.Names":"Methoxamine hydrochloride|Dtxsid7045782|61-16-5","logHenry":-8.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.036,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.127,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.279,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.2,"MP.Reference":"EPA-CCD-OPERA","MW":247.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61-16-5"}
{"Compound":"Adenosine-5-phosphate","CAS":"61-19-8","CAS.Checksum":true,"DTXSID":"DTXSID5022560","Formula":"C10H14N5O7P","All.Compound.Names":"Adenosine-5-phosphate|Adenosine 5'-phosphate|Dtxsid5022560|61-19-8","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.838,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.541,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.7,"MP.Reference":"EPA-CCD-OPERA","MW":347.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61-19-8"}
{"Compound":"Papaverine hydrochloride","CAS":"61-25-6","CAS.Checksum":true,"DTXSID":"DTXSID9025825","Formula":"C20H22ClNO4","All.Compound.Names":"Papaverine hydrochloride|Dtxsid9025825|61-25-6","logHenry":-5.164,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.011,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.51,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.872,"logWSol.Reference":"EPA-CCD-OPERA","MP":115.7,"MP.Reference":"EPA-CCD-OPERA","MW":375.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61-25-6"}
{"Compound":"Sulthiame","CAS":"61-56-3","CAS.Checksum":true,"DTXSID":"DTXSID4023626","Formula":"C10H14N2O4S2","All.Compound.Names":"Sulthiame|Dtxsid4023626|61-56-3","logHenry":-8.239,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.038,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.466,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.525,"logWSol.Reference":"EPA-CCD-OPERA","MP":181,"MP.Reference":"EPA-CCD-OPERA","MW":290.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61-56-3"}
{"Compound":"Niridazole","CAS":"61-57-4","CAS.Checksum":true,"DTXSID":"DTXSID6045244","Formula":"C6H6N4O3S","All.Compound.Names":"Niridazole|Dtxsid6045244|61-57-4","logHenry":-8.42,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9503,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.106,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.217,"logWSol.Reference":"EPA-CCD-OPERA","MP":260.9,"MP.Reference":"EPA-CCD-OPERA","MW":214.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61-57-4"}
{"Compound":"Bretylium tosylate","CAS":"61-75-6","CAS.Checksum":true,"DTXSID":"DTXSID1022685","Formula":"C18H24BrNO3S","All.Compound.Names":"Bretylium tosylate|Dtxsid1022685|61-75-6","logHenry":-3.241,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8159,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.146,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.578,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.9,"MP.Reference":"EPA-CCD-OPERA","MW":414.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61-75-6"}
{"Compound":"Phenylephrine hydrochloride","CAS":"61-76-7","CAS.Checksum":true,"DTXSID":"DTXSID3021142","Formula":"C9H14ClNO2","All.Compound.Names":"Phenylephrine hydrochloride|(-)-phenylephrine hydrochloride|Dtxsid3021142|61-76-7","logHenry":-8.527,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.57,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.693,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6379,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.6,"MP.Reference":"EPA-CCD-OPERA","MW":203.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.76","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61-76-7"}
{"Compound":"Aminohippuric acid","CAS":"61-78-9","CAS.Checksum":true,"DTXSID":"DTXSID7022590","Formula":"C9H10N2O3","All.Compound.Names":"Aminohippuric acid|Dtxsid7022590|61-78-9","logHenry":-10.06,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8864,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.646,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.5,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61-78-9"}
{"Compound":"Zoxazolamine","CAS":"61-80-3","CAS.Checksum":true,"DTXSID":"DTXSID1045245","Formula":"C7H5ClN2O","All.Compound.Names":"Zoxazolamine|5-chloro-2-benzoxazolamine|Dtxsid1045245|61-80-3","logHenry":-8.736,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.459,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.207,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.573,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.4,"MP.Reference":"EPA-CCD-OPERA","MW":168.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61-80-3"}
{"Compound":"Amitrole","CAS":"61-82-5","CAS.Checksum":true,"DTXSID":"DTXSID0020076","Formula":"C2H4N4","All.Compound.Names":"Amitrole|Dtxsid0020076|61-82-5","logHenry":-7.513,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9207,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.006,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5189,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.9,"MP.Reference":"EPA-CCD-OPERA","MW":84.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61-82-5"}
{"Compound":"2-nitrobenzoyl chloride","CAS":"610-14-0","CAS.Checksum":true,"DTXSID":"DTXSID4025741","Formula":"C7H4ClNO3","All.Compound.Names":"2-nitrobenzoyl chloride|Dtxsid4025741|610-14-0","logHenry":-6.53,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.922,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.871,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.163,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.72,"MP.Reference":"EPA-CCD-OPERA","MW":185.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"610-14-0"}
{"Compound":"2-nitrobenzamide","CAS":"610-15-1","CAS.Checksum":true,"DTXSID":"DTXSID0025733","Formula":"C7H6N2O3","All.Compound.Names":"2-nitrobenzamide|Dtxsid0025733|610-15-1","logHenry":-8.629,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1098,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.637,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.007,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.4,"MP.Reference":"EPA-CCD-OPERA","MW":166.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"610-15-1"}
{"Compound":"3,4-dinitrotoluene","CAS":"610-39-9","CAS.Checksum":true,"DTXSID":"DTXSID8027240","Formula":"C7H6N2O4","All.Compound.Names":"3,4-dinitrotoluene|Dtxsid8027240","logHenry":-6.969,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.079,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.976,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.256,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.92,"MP.Reference":"EPA-CCD-OPERA","MW":182.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"610-39-9"}
{"Compound":"(2-nitrophenyl)acetonitrile","CAS":"610-66-2","CAS.Checksum":true,"DTXSID":"DTXSID7025768","Formula":"C8H6N2O2","All.Compound.Names":"(2-nitrophenyl)acetonitrile|Dtxsid7025768|610-66-2","logHenry":-6.013,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.304,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.404,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.857,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.73,"MP.Reference":"EPA-CCD-OPERA","MW":162.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"610-66-2"}
{"Compound":"Methyl 2-chlorobenzoate","CAS":"610-96-8","CAS.Checksum":true,"DTXSID":"DTXSID8044701","Formula":"C8H7ClO2","All.Compound.Names":"Methyl 2-chlorobenzoate|Dtxsid8044701","logHenry":-7.078,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.385,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.67,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.47,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.6,"MP.Reference":"EPA-CCD-OPERA","MW":170.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"610-96-8"}
{"Compound":"Scopolamine n-oxide hydrobromide","CAS":"6106-81-6","CAS.Checksum":true,"DTXSID":"DTXSID2045101","Formula":"C17H22BrNO5","All.Compound.Names":"Scopolamine n-oxide hydrobromide|Dtxsid2045101|6106-81-6","logHenry":-8.751,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.579,"logP.Reference":"EPA-CCD-OPERA","logPwa":13.19,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.8,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.6,"MP.Reference":"EPA-CCD-OPERA","MW":400.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6106-81-6"}
{"Compound":"3-amino-9-ethylcarbazole hydrochloride","CAS":"6109-97-3","CAS.Checksum":true,"DTXSID":"DTXSID2020054","Formula":"C14H15ClN2","All.Compound.Names":"3-amino-9-ethylcarbazole hydrochloride|Dtxsid2020054|6109-97-3","logHenry":-7.511,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6015,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.41,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.207,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.6,"MP.Reference":"EPA-CCD-OPERA","MW":246.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6109-97-3"}
{"Compound":"2,4-dichloronitrobenzene","CAS":"611-06-3","CAS.Checksum":true,"DTXSID":"DTXSID3024998","Formula":"C6H3Cl2NO2","All.Compound.Names":"2,4-dichloronitrobenzene|Dtxsid3024998|2,4-dichloro-1-nitrobenzene","logHenry":-4.99,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.07,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.142,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.67,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.38,"MP.Reference":"EPA-CCD-OPERA","MW":192,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"611-06-3"}
{"Compound":"5-nitroisatin","CAS":"611-09-6","CAS.Checksum":true,"DTXSID":"DTXSID8049331","Formula":"C8H4N2O4","All.Compound.Names":"5-nitroisatin|Dtxsid8049331|611-09-6","logHenry":-8.117,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4721,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.744,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.3,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.4,"MP.Reference":"EPA-CCD-OPERA","MW":192.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"611-09-6"}
{"Compound":"1-ethyl-2-methylbenzene","CAS":"611-14-3","CAS.Checksum":true,"DTXSID":"DTXSID2050403","Formula":"C9H12","All.Compound.Names":"1-ethyl-2-methylbenzene|Dtxsid2050403","logHenry":-2.104,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.532,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.028,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.199,"logWSol.Reference":"EPA-CCD-OPERA","MP":-78.56,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"611-14-3"}
{"Compound":"2-chlorobenzyl chloride","CAS":"611-19-8","CAS.Checksum":true,"DTXSID":"DTXSID3027241","Formula":"C7H6Cl2","All.Compound.Names":"2-chlorobenzyl chloride|Dtxsid3027241","logHenry":-2.653,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.558,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.305,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.213,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.04,"MP.Reference":"EPA-CCD-OPERA","MW":161,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"611-19-8"}
{"Compound":"Benzonitrile, 2-hydroxy-","CAS":"611-20-1","CAS.Checksum":true,"DTXSID":"DTXSID3041661","Formula":"C7H5NO","All.Compound.Names":"Benzonitrile, 2-hydroxy-|2-hydroxybenzonitrile|Dtxsid3041661|611-20-1","logHenry":-6.953,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.61,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.846,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8481,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.83,"MP.Reference":"EPA-CCD-OPERA","MW":119.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"611-20-1"}
{"Compound":"2-nitrosotoluene","CAS":"611-23-4","CAS.Checksum":true,"DTXSID":"DTXSID3021065","Formula":"C7H7NO","All.Compound.Names":"2-nitrosotoluene|Dtxsid3021065|611-23-4","logHenry":-4.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.031,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.971,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.544,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.6,"MP.Reference":"EPA-CCD-OPERA","MW":121.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"611-23-4"}
{"Compound":"8-methylquinoline","CAS":"611-32-5","CAS.Checksum":true,"DTXSID":"DTXSID8020888","Formula":"C10H9N","All.Compound.Names":"8-methylquinoline|Dtxsid8020888|611-32-5","logHenry":-4.349,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.599,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.143,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.175,"logWSol.Reference":"EPA-CCD-OPERA","MP":-24.3,"MP.Reference":"EPA-CCD-OPERA","MW":143.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"611-32-5"}
{"Compound":"1,7-dimethylxanthine","CAS":"611-59-6","CAS.Checksum":true,"DTXSID":"DTXSID2052281","Formula":"C7H8N4O2","All.Compound.Names":"1,7-dimethylxanthine|Dtxsid2052281|611-59-6","logHenry":-8.573,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.221,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.51,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.003,"logWSol.Reference":"EPA-CCD-OPERA","MP":243.9,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"611-59-6"}
{"Compound":"Isopropyl phenyl ketone","CAS":"611-70-1","CAS.Checksum":true,"DTXSID":"DTXSID6048202","Formula":"C10H12O","All.Compound.Names":"Isopropyl phenyl ketone|Dtxsid6048202","logHenry":-4.402,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.73,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.228,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.858,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.458,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"611-70-1"}
{"Compound":"D-(-)-mandelic acid","CAS":"611-71-2","CAS.Checksum":true,"DTXSID":"DTXSID4046523","Formula":"C8H8O3","All.Compound.Names":"D-(-)-mandelic acid|Dtxsid4046523|611-71-2","logHenry":-7.927,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6198,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.991,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.0517,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.6,"MP.Reference":"EPA-CCD-OPERA","MW":152.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"611-71-2"}
{"Compound":"Bromhexine hydrochloride","CAS":"611-75-6","CAS.Checksum":true,"DTXSID":"DTXSID0045886","Formula":"C14H21Br2ClN2","All.Compound.Names":"Bromhexine hydrochloride|Dtxsid0045886|611-75-6","logHenry":-5.245,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.27,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.97,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.492,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.6,"MP.Reference":"EPA-CCD-OPERA","MW":412.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"611-75-6"}
{"Compound":"4,4'-dihydoxybenzophenone","CAS":"611-99-4","CAS.Checksum":true,"DTXSID":"DTXSID1022425","Formula":"C13H10O3","All.Compound.Names":"4,4'-dihydoxybenzophenone|Dtxsid1022425|611-99-4","logHenry":-9.557,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.891,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.493,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.042,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.9,"MP.Reference":"EPA-CCD-OPERA","MW":214.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"611-99-4"}
{"Compound":"6-mercaptopurine monohydrate","CAS":"6112-76-1","CAS.Checksum":true,"DTXSID":"DTXSID9025538","Formula":"C5H8N4OS","All.Compound.Names":"6-mercaptopurine monohydrate|Dtxsid9025538|6112-76-1","logHenry":-9.009,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4417,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.878,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.058,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.9,"MP.Reference":"EPA-CCD-OPERA","MW":172.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.53","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6112-76-1"}
{"Compound":"Zimeldine dihydrochloride hydrate","CAS":"61129-30-4","CAS.Checksum":true,"DTXSID":"DTXSID7045815","Formula":"C16H21BrCl2N2O","All.Compound.Names":"Zimeldine dihydrochloride hydrate|Dtxsid7045815|61129-30-4","logHenry":-7.946,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8597,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.801,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.309,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.3,"MP.Reference":"EPA-CCD-OPERA","MW":408.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61129-30-4"}
{"Compound":"Ethyl linoleate","CAS":"6114-21-2","CAS.Checksum":true,"DTXSID":"DTXSID8046820","Formula":"C20H36O2","All.Compound.Names":"Ethyl linoleate|Ethyl 9,12-octadecadienoic acid (9e,12e)|Dtxsid8046820","logHenry":-6.589,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.25,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.121,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.505,"logWSol.Reference":"EPA-CCD-OPERA","MP":-24.21,"MP.Reference":"EPA-CCD-OPERA","MW":308.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6114-21-2"}
{"Compound":"But-2-en-1-ol","CAS":"6117-91-5","CAS.Checksum":true,"DTXSID":"DTXSID2052283","Formula":"C4H8O","All.Compound.Names":"But-2-en-1-ol|Dtxsid2052283|6117-91-5","logHenry":-5.204,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.25,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.839,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7517,"logWSol.Reference":"EPA-CCD-OPERA","MP":-65.2,"MP.Reference":"EPA-CCD-OPERA","MW":72.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6117-91-5"}
{"Compound":"Clavulanate lithium","CAS":"61177-44-4","CAS.Checksum":true,"DTXSID":"DTXSID0046012","Formula":"C8H8LiNO5","All.Compound.Names":"Clavulanate lithium|Dtxsid0046012|61177-44-4","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.691,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.815,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1773,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.1,"MP.Reference":"EPA-CCD-OPERA","MW":205.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.51","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61177-44-4"}
{"Compound":"Quinine hydrochloride dihydrate","CAS":"6119-47-7","CAS.Checksum":true,"DTXSID":"DTXSID2047694","Formula":"C20H29ClN2O4","All.Compound.Names":"Quinine hydrochloride dihydrate|Dtxsid2047694|6119-47-7","logHenry":-8.574,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.278,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.342,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.009,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.5,"MP.Reference":"EPA-CCD-OPERA","MW":396.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6119-47-7"}
{"Compound":"1,2-bis(chloromethyl)benzene","CAS":"612-12-4","CAS.Checksum":true,"DTXSID":"DTXSID7052284","Formula":"C8H8Cl2","All.Compound.Names":"1,2-bis(chloromethyl)benzene|Dtxsid7052284","logHenry":-2.835,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.097,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.433,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.312,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.2,"MP.Reference":"EPA-CCD-OPERA","MW":175,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"612-12-4"}
{"Compound":"2-nitrobenzyl chloride","CAS":"612-23-7","CAS.Checksum":true,"DTXSID":"DTXSID9025744","Formula":"C7H6ClNO2","All.Compound.Names":"2-nitrobenzyl chloride|Dtxsid9025744","logHenry":-5.033,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.553,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.453,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.933,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.63,"MP.Reference":"EPA-CCD-OPERA","MW":171.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"612-23-7"}
{"Compound":"3,3'-dichlorobenzidine dihydrochloride","CAS":"612-83-9","CAS.Checksum":true,"DTXSID":"DTXSID1020433","Formula":"C12H12Cl4N2","All.Compound.Names":"3,3'-dichlorobenzidine dihydrochloride|Dtxsid1020433|612-83-9","logHenry":-7.188,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9235,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.91,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.4,"MP.Reference":"EPA-CCD-OPERA","MW":326,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"612-83-9"}
{"Compound":"Flurochloridone","CAS":"61213-25-0","CAS.Checksum":true,"DTXSID":"DTXSID0041987","Formula":"C12H10Cl2F3NO","All.Compound.Names":"Flurochloridone|Dtxsid0041987|61213-25-0","logHenry":-8.442,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.36,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.515,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.016,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.78,"MP.Reference":"EPA-CCD-OPERA","MW":312.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61213-25-0"}
{"Compound":"Cefonicid sodium","CAS":"61270-78-8","CAS.Checksum":true,"DTXSID":"DTXSID0046642","Formula":"C18H16N6Na2O8S3","All.Compound.Names":"Cefonicid sodium|Dtxsid0046642|61270-78-8","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1897,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.302,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.583,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.4,"MP.Reference":"EPA-CCD-OPERA","MW":586.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61270-78-8"}
{"Compound":"3-(2-methyl-3-furylthio)-4-heptanone","CAS":"61295-41-8","CAS.Checksum":true,"DTXSID":"DTXSID6047157","Formula":"C12H18O2S","All.Compound.Names":"3-(2-methyl-3-furylthio)-4-heptanone|Dtxsid6047157|61295-41-8","logHenry":-4.852,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.389,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.067,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.796,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.79,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61295-41-8"}
{"Compound":"2-aminoanthracene","CAS":"613-13-8","CAS.Checksum":true,"DTXSID":"DTXSID2024458","Formula":"C14H11N","All.Compound.Names":"2-aminoanthracene|Dtxsid2024458|613-13-8","logHenry":-7.121,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.696,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.247,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.17,"logWSol.Reference":"EPA-CCD-OPERA","MP":235.9,"MP.Reference":"EPA-CCD-OPERA","MW":193.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"613-13-8"}
{"Compound":"6-nitroquinoline","CAS":"613-50-3","CAS.Checksum":true,"DTXSID":"DTXSID1020984","Formula":"C9H6N2O2","All.Compound.Names":"6-nitroquinoline|Dtxsid1020984|613-50-3","logHenry":-6.027,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.841,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.294,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.613,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.7,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"613-50-3"}
{"Compound":"N-methylbenzamide","CAS":"613-93-4","CAS.Checksum":true,"DTXSID":"DTXSID5025570","Formula":"C8H9NO","All.Compound.Names":"N-methylbenzamide|Dtxsid5025570|613-93-4","logHenry":-8.575,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8601,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.594,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9215,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.13,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"613-93-4"}
{"Compound":"Benzoyl hydrazine","CAS":"613-94-5","CAS.Checksum":true,"DTXSID":"DTXSID6020149","Formula":"C7H8N2O","All.Compound.Names":"Benzoyl hydrazine|Dtxsid6020149|613-94-5","logHenry":-7.95,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1915,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.407,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.289,"logWSol.Reference":"EPA-CCD-OPERA","MP":115,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"613-94-5"}
{"Compound":"Sulconazole nitrate","CAS":"61318-91-0","CAS.Checksum":true,"DTXSID":"DTXSID2045490","Formula":"C18H16Cl3N3O3S","All.Compound.Names":"Sulconazole nitrate|Dtxsid2045490|61318-91-0","logHenry":-5.682,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.051,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.64,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.837,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.9,"MP.Reference":"EPA-CCD-OPERA","MW":460.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61318-91-0"}
{"Compound":"Rifapentine","CAS":"61379-65-5","CAS.Checksum":true,"DTXSID":"DTXSID8041115","Formula":"C47H64N4O12","All.Compound.Names":"Rifapentine|61379-65-5|Dtxsid8041115","logHenry":-10.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.274,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.305,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.8,"MP.Reference":"EPA-CCD-OPERA","MW":877,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.7,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"61379-65-5"}
{"Compound":"Trehalose dihydrate","CAS":"6138-23-4","CAS.Checksum":true,"DTXSID":"DTXSID3047972","Formula":"C12H26O13","All.Compound.Names":"Trehalose dihydrate|Dtxsid3047972|6138-23-4","logHenry":-10.68,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.728,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.03635,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.1,"MP.Reference":"EPA-CCD-OPERA","MW":378.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6138-23-4"}
{"Compound":"Tripelennamine citrate","CAS":"6138-56-3","CAS.Checksum":true,"DTXSID":"DTXSID8045989","Formula":"C22H29N3O7","All.Compound.Names":"Tripelennamine citrate|Dtxsid8045989|6138-56-3","logHenry":-5.738,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8372,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.009,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.639,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.9,"MP.Reference":"EPA-CCD-OPERA","MW":447.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6138-56-3"}
{"Compound":"Triprolidine hydrochloride monohydrate","CAS":"6138-79-0","CAS.Checksum":true,"DTXSID":"DTXSID0021410","Formula":"C19H25ClN2O","All.Compound.Names":"Triprolidine hydrochloride monohydrate|Dtxsid0021410|6138-79-0","logHenry":-7.734,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.036,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.166,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.417,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.6,"MP.Reference":"EPA-CCD-OPERA","MW":332.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6138-79-0"}
{"Compound":"Nitrosomethylaniline","CAS":"614-00-6","CAS.Checksum":true,"DTXSID":"DTXSID9021053","Formula":"C7H8N2O","All.Compound.Names":"Nitrosomethylaniline|N-methyl-n-nitrosoaniline|Dtxsid9021053|614-00-6","logHenry":-5.495,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.273,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.198,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9936,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.78,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"614-00-6"}
{"Compound":"Ethyl nicotinate","CAS":"614-18-6","CAS.Checksum":true,"DTXSID":"DTXSID9046526","Formula":"C8H9NO2","All.Compound.Names":"Ethyl nicotinate|Dtxsid9046526|614-18-6","logHenry":-6.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.318,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.652,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4341,"logWSol.Reference":"EPA-CCD-OPERA","MP":10.34,"MP.Reference":"EPA-CCD-OPERA","MW":151.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"614-18-6"}
{"Compound":"Procainamide hydrochloride","CAS":"614-39-1","CAS.Checksum":true,"DTXSID":"DTXSID2049422","Formula":"C13H22ClN3O","All.Compound.Names":"Procainamide hydrochloride|Dtxsid2049422|614-39-1","logHenry":-10.19,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5733,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.614,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.417,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.8,"MP.Reference":"EPA-CCD-OPERA","MW":271.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"614-39-1"}
{"Compound":"Tert-butyl perbenzoate","CAS":"614-45-9","CAS.Checksum":true,"DTXSID":"DTXSID9024699","Formula":"C11H14O3","All.Compound.Names":"Tert-butyl perbenzoate|Dtxsid9024699","logHenry":-6.063,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.236,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.505,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.834,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.512,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"614-45-9"}
{"Compound":"2-acetamidophenol","CAS":"614-80-2","CAS.Checksum":true,"DTXSID":"DTXSID8022082","Formula":"C8H9NO2","All.Compound.Names":"2-acetamidophenol|2-hydroxyacetanilide|Dtxsid8022082","logHenry":-8.312,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7196,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.233,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.233,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.7,"MP.Reference":"EPA-CCD-OPERA","MW":151.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"614-80-2"}
{"Compound":"Carmofur","CAS":"61422-45-5","CAS.Checksum":true,"DTXSID":"DTXSID2045941","Formula":"C11H16FN3O3","All.Compound.Names":"Carmofur|Dtxsid2045941|61422-45-5","logHenry":-10.19,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.627,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.637,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.651,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.6,"MP.Reference":"EPA-CCD-OPERA","MW":257.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.89","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61422-45-5"}
{"Compound":"2,3',4,4'-tetrahydroxybenzophenone","CAS":"61445-50-9","CAS.Checksum":true,"DTXSID":"DTXSID3047974","Formula":"C13H10O5","All.Compound.Names":"2,3',4,4'-tetrahydroxybenzophenone|Dtxsid3047974|61445-50-9","logHenry":-9.284,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.488,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.898,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.909,"logWSol.Reference":"EPA-CCD-OPERA","MP":244.4,"MP.Reference":"EPA-CCD-OPERA","MW":246.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61445-50-9"}
{"Compound":"Tris(2-chloropropyl) phosphate","CAS":"6145-73-9","CAS.Checksum":true,"DTXSID":"DTXSID3027615","Formula":"C9H18Cl3O4P","All.Compound.Names":"Tris(2-chloropropyl) phosphate|Dtxsid3027615","logHenry":-6.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.949,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.898,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.895,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.76,"MP.Reference":"EPA-CCD-OPERA","MW":327.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6145-73-9"}
{"Compound":"Sodium 4-octylbenzenesulfonate","CAS":"6149-03-7","CAS.Checksum":true,"DTXSID":"DTXSID9047594","Formula":"C14H21NaO3S","All.Compound.Names":"Sodium 4-octylbenzenesulfonate|Dtxsid9047594|6149-03-7","logHenry":-6.677,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6357,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.652,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.878,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.97,"MP.Reference":"EPA-CCD-OPERA","MW":292.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6149-03-7"}
{"Compound":"1,3-dihydro-2h-inden-2-one","CAS":"615-13-4","CAS.Checksum":true,"DTXSID":"DTXSID7052288","Formula":"C9H8O","All.Compound.Names":"1,3-dihydro-2h-inden-2-one|Dtxsid7052288","logHenry":-5.688,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.268,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.804,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.79,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.94,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"615-13-4"}
{"Compound":"2-chlorobenzothiazole","CAS":"615-20-3","CAS.Checksum":true,"DTXSID":"DTXSID2052289","Formula":"C7H4ClNS","All.Compound.Names":"2-chlorobenzothiazole|Dtxsid2052289|615-20-3","logHenry":-5.207,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.062,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.726,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.487,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.1,"MP.Reference":"EPA-CCD-OPERA","MW":169.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.04","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"615-20-3"}
{"Compound":"1,2-phenylenediamine dihydrochloride","CAS":"615-28-1","CAS.Checksum":true,"DTXSID":"DTXSID3021140","Formula":"C6H10Cl2N2","All.Compound.Names":"1,2-phenylenediamine dihydrochloride|Dtxsid3021140|615-28-1","logHenry":-7.257,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.39,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.987,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4113,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.8,"MP.Reference":"EPA-CCD-OPERA","MW":181.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"615-28-1"}
{"Compound":"N-nitroso-n-methylurethane","CAS":"615-53-2","CAS.Checksum":true,"DTXSID":"DTXSID4021472","Formula":"C4H8N2O3","All.Compound.Names":"N-nitroso-n-methylurethane|Dtxsid4021472|615-53-2","logHenry":-4.128,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1062,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.827,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5528,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.38,"MP.Reference":"EPA-CCD-OPERA","MW":132.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"615-53-2"}
{"Compound":"1,2,4-tribromobenzene","CAS":"615-54-3","CAS.Checksum":true,"DTXSID":"DTXSID5024346","Formula":"C6H3Br3","All.Compound.Names":"1,2,4-tribromobenzene|Dtxsid5024346","logHenry":-3.722,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.589,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.77,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.747,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.35,"MP.Reference":"EPA-CCD-OPERA","MW":314.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"615-54-3"}
{"Compound":"2-chloro-5-methylphenol","CAS":"615-74-7","CAS.Checksum":true,"DTXSID":"DTXSID1046558","Formula":"C7H7ClO","All.Compound.Names":"2-chloro-5-methylphenol|Dtxsid1046558|615-74-7","logHenry":-5.622,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.899,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.071,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.382,"logWSol.Reference":"EPA-CCD-OPERA","MP":50.81,"MP.Reference":"EPA-CCD-OPERA","MW":142.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"615-74-7"}
{"Compound":"Quercetin dihydrate","CAS":"6151-25-3","CAS.Checksum":true,"DTXSID":"DTXSID9021219","Formula":"C15H14O9","All.Compound.Names":"Quercetin dihydrate|Dtxsid9021219|6151-25-3","logHenry":-10.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.185,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.221,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.653,"logWSol.Reference":"EPA-CCD-OPERA","MP":299.9,"MP.Reference":"EPA-CCD-OPERA","MW":338.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6151-25-3"}
{"Compound":"Quinacrine dihydrochloride dihydrate","CAS":"6151-30-0","CAS.Checksum":true,"DTXSID":"DTXSID8045565","Formula":"C23H36Cl3N3O3","All.Compound.Names":"Quinacrine dihydrochloride dihydrate|Dtxsid8045565|6151-30-0","logHenry":-8.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.542,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.738,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.394,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.7,"MP.Reference":"EPA-CCD-OPERA","MW":508.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6151-30-0"}
{"Compound":"Ethyl 2-oxopyrrolidin-2-ylacetate","CAS":"61516-73-2","CAS.Checksum":true,"DTXSID":"DTXSID7057785","Formula":"C8H13NO3","All.Compound.Names":"Ethyl 2-oxopyrrolidin-2-ylacetate|Dtxsid7057785|61516-73-2","logHenry":-6.424,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1642,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.915,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.648,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.8123,"MP.Reference":"EPA-CCD-OPERA","MW":171.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61516-73-2"}
{"Compound":"Sodium 2-phenylphenate tetrahydrate","CAS":"6152-33-6","CAS.Checksum":true,"DTXSID":"DTXSID1040794","Formula":"C12H17NaO5","All.Compound.Names":"Sodium 2-phenylphenate tetrahydrate|Dtxsid1040794|6152-33-6","logHenry":-7.143,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6912,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.508,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.812,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.57,"MP.Reference":"EPA-CCD-OPERA","MW":264.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6152-33-6"}
{"Compound":"Mebhydrolin 1,5-naphtalenedisulfonate","CAS":"6153-33-9","CAS.Checksum":true,"DTXSID":"DTXSID3045566","Formula":"C48H48N4O6S2","All.Compound.Names":"Mebhydrolin 1,5-naphtalenedisulfonate|Dtxsid3045566|6153-33-9","logHenry":-6.688,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8679,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.502,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.243,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.9,"MP.Reference":"EPA-CCD-OPERA","MW":841,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6153-33-9"}
{"Compound":"1-methyl-3-octylimidazolium bromide","CAS":"61545-99-1","CAS.Checksum":true,"DTXSID":"DTXSID3049332","Formula":"C12H25BrN2","All.Compound.Names":"1-methyl-3-octylimidazolium bromide|Dtxsid3049332|61545-99-1","logHenry":-4.228,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.162,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.476,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.188,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.4,"MP.Reference":"EPA-CCD-OPERA","MW":277.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61545-99-1"}
{"Compound":"1-dodecyl-3-methylimidazolium bromide","CAS":"61546-00-7","CAS.Checksum":true,"DTXSID":"DTXSID8049333","Formula":"C16H31BrN2","All.Compound.Names":"1-dodecyl-3-methylimidazolium bromide|Dtxsid8049333|61546-00-7","logHenry":-5.592,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7417,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.697,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.408,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.4,"MP.Reference":"EPA-CCD-OPERA","MW":331.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61546-00-7"}
{"Compound":"1-hexadecyl-3-methylimidazolium chloride","CAS":"61546-01-8","CAS.Checksum":true,"DTXSID":"DTXSID8047923","Formula":"C20H39ClN2","All.Compound.Names":"1-hexadecyl-3-methylimidazolium chloride|Dtxsid8047923|61546-01-8","logHenry":-6.005,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5752,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.01,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.095,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.4,"MP.Reference":"EPA-CCD-OPERA","MW":343,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61546-01-8"}
{"Compound":"Tioxidazole","CAS":"61570-90-9","CAS.Checksum":true,"DTXSID":"DTXSID7046178","Formula":"C12H14N2O3S","All.Compound.Names":"Tioxidazole|Dtxsid7046178|61570-90-9","logHenry":-8.184,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.609,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.571,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.132,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.2,"MP.Reference":"EPA-CCD-OPERA","MW":266.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61570-90-9"}
{"Compound":"Propanoic acid,2-hydroxy-,propylester","CAS":"616-09-1","CAS.Checksum":true,"DTXSID":"DTXSID3049334","Formula":"C6H12O3","All.Compound.Names":"Propanoic acid,2-hydroxy-,propylester|Dtxsid3049334|616-09-1","logHenry":-6.078,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4389,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.233,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3004,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.4,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"616-09-1"}
{"Compound":"1,2-dichlorobutane","CAS":"616-21-7","CAS.Checksum":true,"DTXSID":"DTXSID8027244","Formula":"C4H8Cl2","All.Compound.Names":"1,2-dichlorobutane|Dtxsid8027244","logHenry":-2.992,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.425,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9251,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.898,"logWSol.Reference":"EPA-CCD-OPERA","MP":-66.31,"MP.Reference":"EPA-CCD-OPERA","MW":127,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"616-21-7"}
{"Compound":"2,3-dichloro-1-propanol","CAS":"616-23-9","CAS.Checksum":true,"DTXSID":"DTXSID2024038","Formula":"C3H6Cl2O","All.Compound.Names":"2,3-dichloro-1-propanol|Dtxsid2024038|616-23-9","logHenry":-5.566,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7811,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.975,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.00857,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.685,"MP.Reference":"EPA-CCD-OPERA","MW":129,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"616-23-9"}
{"Compound":"Dimethyl carbonate","CAS":"616-38-6","CAS.Checksum":true,"DTXSID":"DTXSID9029192","Formula":"C3H6O3","All.Compound.Names":"Dimethyl carbonate|Dtxsid9029192","logHenry":-3.761,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2005,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.932,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1265,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.798,"MP.Reference":"EPA-CCD-OPERA","MW":90.08,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"616-38-6"}
{"Compound":"2-pyrrolidinone","CAS":"616-45-5","CAS.Checksum":true,"DTXSID":"DTXSID8027246","Formula":"C4H7NO","All.Compound.Names":"2-pyrrolidinone|Dtxsid8027246|616-45-5","logHenry":-6.121,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8503,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.748,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.066,"logWSol.Reference":"EPA-CCD-OPERA","MP":23.1,"MP.Reference":"EPA-CCD-OPERA","MW":85.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"616-45-5"}
{"Compound":"1-methylimidazole","CAS":"616-47-7","CAS.Checksum":true,"DTXSID":"DTXSID6052291","Formula":"C4H6N2","All.Compound.Names":"1-methylimidazole|Dtxsid6052291|616-47-7","logHenry":-5.098,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.05872,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.804,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.085,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.861,"MP.Reference":"EPA-CCD-OPERA","MW":82.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"616-47-7"}
{"Compound":"4-ethoxy-2-nitroaniline","CAS":"616-86-4","CAS.Checksum":true,"DTXSID":"DTXSID8022084","Formula":"C8H10N2O3","All.Compound.Names":"4-ethoxy-2-nitroaniline|Dtxsid8022084|616-86-4","logHenry":-6.852,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.495,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.962,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.986,"logWSol.Reference":"EPA-CCD-OPERA","MP":104,"MP.Reference":"EPA-CCD-OPERA","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"616-86-4"}
{"Compound":"Dicethiamine hydrochloride","CAS":"616-96-6","CAS.Checksum":true,"DTXSID":"DTXSID2048793","Formula":"C18H27ClN4O6S","All.Compound.Names":"Dicethiamine hydrochloride|Dtxsid2048793|616-96-6","logHenry":-10.45,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.07696,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.19,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.639,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.7,"MP.Reference":"EPA-CCD-OPERA","MW":463,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"616-96-6"}
{"Compound":"Lorcaserin","CAS":"616202-92-7","CAS.Checksum":true,"DTXSID":"DTXSID3048659","Formula":"C11H14ClN","All.Compound.Names":"Lorcaserin|Dtxsid3048659|616202-92-7","logHenry":-8.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.491,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.193,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.728,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.51,"MP.Reference":"EPA-CCD-OPERA","MW":195.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"616202-92-7"}
{"Compound":"Chlordimeform","CAS":"6164-98-3","CAS.Checksum":true,"DTXSID":"DTXSID2037508","Formula":"C10H13ClN2","All.Compound.Names":"Chlordimeform|Dtxsid2037508|6164-98-3","logHenry":-4.43,"logHenry.Reference":"OPERA29","logP":2.89,"logP.Reference":"OPERA29","logWSol":-2.86,"logWSol.Reference":"OPERA29","MP":35,"MP.Reference":"OPERA29","MW":196.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6164-98-3"}
{"Compound":"Isometheptene hydrochloride","CAS":"6168-86-1","CAS.Checksum":true,"DTXSID":"DTXSID9046869","Formula":"C9H20ClN","All.Compound.Names":"Isometheptene hydrochloride|Dtxsid9046869|6168-86-1","logHenry":-6.603,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1879,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.721,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.76,"logWSol.Reference":"EPA-CCD-OPERA","MP":114,"MP.Reference":"EPA-CCD-OPERA","MW":177.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6168-86-1"}
{"Compound":"2-methylpentanedioic acid","CAS":"617-62-9","CAS.Checksum":true,"DTXSID":"DTXSID4021632","Formula":"C6H10O4","All.Compound.Names":"2-methylpentanedioic acid|Dtxsid4021632|617-62-9","logHenry":-9.979,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.08683,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.51,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4215,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.1,"MP.Reference":"EPA-CCD-OPERA","MW":146.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"617-62-9"}
{"Compound":"Diethylformamide","CAS":"617-84-5","CAS.Checksum":true,"DTXSID":"DTXSID3020463","Formula":"C5H11NO","All.Compound.Names":"Diethylformamide|Dtxsid3020463|617-84-5","logHenry":-7.132,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2463,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.732,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9912,"logWSol.Reference":"EPA-CCD-OPERA","MP":-42.13,"MP.Reference":"EPA-CCD-OPERA","MW":101.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"617-84-5"}
{"Compound":"Furfurylamine","CAS":"617-89-0","CAS.Checksum":true,"DTXSID":"DTXSID6052295","Formula":"C5H7NO","All.Compound.Names":"Furfurylamine|Dtxsid6052295|617-89-0","logHenry":-6.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3698,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.178,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.012,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.63,"MP.Reference":"EPA-CCD-OPERA","MW":97.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"617-89-0"}
{"Compound":"2-phenylpropan-2-ol","CAS":"617-94-7","CAS.Checksum":true,"DTXSID":"DTXSID3027247","Formula":"C9H12O","All.Compound.Names":"2-phenylpropan-2-ol|Dtxsid3027247|617-94-7","logHenry":-6.152,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.329,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.726,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.467,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.96,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"617-94-7"}
{"Compound":"Chloropyramine hydrochloride","CAS":"6170-42-9","CAS.Checksum":true,"DTXSID":"DTXSID9048859","Formula":"C16H21Cl2N3","All.Compound.Names":"Chloropyramine hydrochloride|Dtxsid9048859|6170-42-9","logHenry":-5.896,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4727,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.374,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.403,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.3,"MP.Reference":"EPA-CCD-OPERA","MW":326.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6170-42-9"}
{"Compound":"2-chloro-1,4-diaminobenzene sulfate","CAS":"61702-44-1","CAS.Checksum":true,"DTXSID":"DTXSID0020284","Formula":"C6H9ClN2O4S","All.Compound.Names":"2-chloro-1,4-diaminobenzene sulfate|2-chloro-1,4-diaminobenzene sulfate (1:1)|Dtxsid0020284|61702-44-1","logHenry":-6.619,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7163,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.127,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.333,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.2,"MP.Reference":"EPA-CCD-OPERA","MW":240.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61702-44-1"}
{"Compound":"3-chloro-7-hydroxy-4-methyl-2-benzopyrone","CAS":"6174-86-3","CAS.Checksum":true,"DTXSID":"DTXSID8052724","Formula":"C10H7ClO3","All.Compound.Names":"3-chloro-7-hydroxy-4-methyl-2-benzopyrone|Dtxsid8052724|6174-86-3","logHenry":-9.288,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.082,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.176,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.651,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.5,"MP.Reference":"EPA-CCD-OPERA","MW":210.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6174-86-3"}
{"Compound":"2,2-diethoxy-1-phenylethan-1-one","CAS":"6175-45-7","CAS.Checksum":true,"DTXSID":"DTXSID1052294","Formula":"C12H16O3","All.Compound.Names":"2,2-diethoxy-1-phenylethan-1-one|2,2-diethoxyacetophenone|Dtxsid1052294","logHenry":-6.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.374,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.504,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.495,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.23,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6175-45-7"}
{"Compound":"1-(2-hydroxyethyl)-3-methylimidazolium chloride","CAS":"61755-34-8","CAS.Checksum":true,"DTXSID":"DTXSID0047872","Formula":"C6H11ClN2O","All.Compound.Names":"1-(2-hydroxyethyl)-3-methylimidazolium chloride|Dtxsid0047872|61755-34-8","logHenry":-6.323,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.261,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.966,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9286,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.2,"MP.Reference":"EPA-CCD-OPERA","MW":162.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61755-34-8"}
{"Compound":"Cremophor(r) el","CAS":"61791-12-6","CAS.Checksum":true,"DTXSID":"DTXSID2047696","All.Compound.Names":"Cremophor(r) el|Cremophor el","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61791-12-6"}
{"Compound":"5-nitroisophthalic acid","CAS":"618-88-2","CAS.Checksum":true,"DTXSID":"DTXSID7041540","Formula":"C8H5NO6","All.Compound.Names":"5-nitroisophthalic acid|Dtxsid7041540|618-88-2","logHenry":-9.792,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.127,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.945,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.539,"logWSol.Reference":"EPA-CCD-OPERA","MP":226.1,"MP.Reference":"EPA-CCD-OPERA","MW":211.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"618-88-2"}
{"Compound":"Epoprostenol sodium","CAS":"61849-14-7","CAS.Checksum":true,"DTXSID":"DTXSID3046617","Formula":"C20H31NaO5","All.Compound.Names":"Epoprostenol sodium|Dtxsid3046617|61849-14-7","logHenry":-10.14,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.106,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.186,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.907,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.5,"MP.Reference":"EPA-CCD-OPERA","MW":374.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61849-14-7"}
{"Compound":"4-nitroanthranilic acid","CAS":"619-17-0","CAS.Checksum":true,"DTXSID":"DTXSID8020963","Formula":"C7H6N2O4","All.Compound.Names":"4-nitroanthranilic acid|Dtxsid8020963|619-17-0","logHenry":-7.968,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.906,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.045,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.272,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.4,"MP.Reference":"EPA-CCD-OPERA","MW":182.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"619-17-0"}
{"Compound":"3-nitrobenzyl chloride","CAS":"619-23-8","CAS.Checksum":true,"DTXSID":"DTXSID4025743","Formula":"C7H6ClNO2","All.Compound.Names":"3-nitrobenzyl chloride|Dtxsid4025743","logHenry":-5.08,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.728,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.278,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.923,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.9,"MP.Reference":"EPA-CCD-OPERA","MW":171.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"619-23-8"}
{"Compound":"Methyl p-nitrobenzoate","CAS":"619-50-1","CAS.Checksum":true,"DTXSID":"DTXSID3022085","Formula":"C8H7NO4","All.Compound.Names":"Methyl p-nitrobenzoate|Dtxsid3022085|619-50-1","logHenry":-5.346,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.887,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.344,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.99,"logWSol.Reference":"EPA-CCD-OPERA","MP":81.56,"MP.Reference":"EPA-CCD-OPERA","MW":181.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"619-50-1"}
{"Compound":"Benzoic acid, 4-cyano-","CAS":"619-65-8","CAS.Checksum":true,"DTXSID":"DTXSID9041659","Formula":"C8H5NO2","All.Compound.Names":"Benzoic acid, 4-cyano-|4-cyanobenzoic acid|Dtxsid9041659|619-65-8","logHenry":-8.62,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.559,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.887,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.087,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.4,"MP.Reference":"EPA-CCD-OPERA","MW":147.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"619-65-8"}
{"Compound":"4-carboxybenzaldehyde","CAS":"619-66-9","CAS.Checksum":true,"DTXSID":"DTXSID3027249","Formula":"C8H6O3","All.Compound.Names":"4-carboxybenzaldehyde|Dtxsid3027249|619-66-9","logHenry":-8.297,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.758,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.724,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.396,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.9,"MP.Reference":"EPA-CCD-OPERA","MW":150.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"619-66-9"}
{"Compound":"4-hydrazinobenzoic acid","CAS":"619-67-0","CAS.Checksum":true,"DTXSID":"DTXSID3020708","Formula":"C7H8N2O2","All.Compound.Names":"4-hydrazinobenzoic acid|Dtxsid3020708|619-67-0","logHenry":-9.375,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5888,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.479,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.149,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.3,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"619-67-0"}
{"Compound":"4-nitrobenzyl alcohol","CAS":"619-73-8","CAS.Checksum":true,"DTXSID":"DTXSID1052298","Formula":"C7H7NO3","All.Compound.Names":"4-nitrobenzyl alcohol|Dtxsid1052298|619-73-8","logHenry":-7.128,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.259,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.503,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.886,"logWSol.Reference":"EPA-CCD-OPERA","MP":91.67,"MP.Reference":"EPA-CCD-OPERA","MW":153.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"619-73-8"}
{"Compound":"4-nitrobenzamide","CAS":"619-80-7","CAS.Checksum":true,"DTXSID":"DTXSID8022086","Formula":"C7H6N2O3","All.Compound.Names":"4-nitrobenzamide|Dtxsid8022086|619-80-7","logHenry":-8.647,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.815,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.712,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.502,"logWSol.Reference":"EPA-CCD-OPERA","MP":199,"MP.Reference":"EPA-CCD-OPERA","MW":166.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"619-80-7"}
{"Compound":"Glucuronamide","CAS":"61914-43-0","CAS.Checksum":true,"DTXSID":"DTXSID1046261","Formula":"C6H11NO6","All.Compound.Names":"Glucuronamide|Dtxsid1046261|61914-43-0","logHenry":-9.588,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.446,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.89,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2045,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.6,"MP.Reference":"EPA-CCD-OPERA","MW":193.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61914-43-0"}
{"Compound":"4-methylbenzenesulfonic acid hydrate","CAS":"6192-52-5","CAS.Checksum":true,"DTXSID":"DTXSID5044316","Formula":"C7H10O4S","All.Compound.Names":"4-methylbenzenesulfonic acid hydrate|Dtxsid5044316|6192-52-5","logHenry":-7.872,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.148,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.862,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5553,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.89,"MP.Reference":"EPA-CCD-OPERA","MW":190.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6192-52-5"}
{"Compound":"Tomatidine hydrochloride","CAS":"6192-62-7","CAS.Checksum":true,"DTXSID":"DTXSID9045978","Formula":"C27H46ClNO2","All.Compound.Names":"Tomatidine hydrochloride|Dtxsid9045978|6192-62-7","logHenry":-6.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.858,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.654,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.905,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.6,"MP.Reference":"EPA-CCD-OPERA","MW":452.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6192-62-7"}
{"Compound":"N-(4-methylpentan-2-yl)-n-phenylbenzene-1,4-diamine","CAS":"61931-82-6","CAS.Checksum":true,"DTXSID":"DTXSID3044966","Formula":"C18H24N2","All.Compound.Names":"N-(4-methylpentan-2-yl)-n-phenylbenzene-1,4-diamine|Dtxsid3044966|61931-82-6","logHenry":-5.597,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.073,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.497,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.341,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.5,"MP.Reference":"EPA-CCD-OPERA","MW":268.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61931-82-6"}
{"Compound":"Amfenac sodium","CAS":"61941-56-8","CAS.Checksum":true,"DTXSID":"DTXSID8048658","Formula":"C15H12NNaO3","All.Compound.Names":"Amfenac sodium|Dtxsid8048658|61941-56-8","logHenry":-9.787,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.172,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.36,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.118,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.7,"MP.Reference":"EPA-CCD-OPERA","MW":277.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"30.2,13.4,68","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"61941-56-8"}
{"Compound":"2-ethylhexyl-2-cyano-3,3-diphenylacrylate","CAS":"6197-30-4","CAS.Checksum":true,"DTXSID":"DTXSID9025299","Formula":"C24H27NO2","All.Compound.Names":"2-ethylhexyl-2-cyano-3,3-diphenylacrylate|Dtxsid9025299","logHenry":-7.595,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.85,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.887,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.794,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.8,"MP.Reference":"EPA-CCD-OPERA","MW":361.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6197-30-4"}
{"Compound":"4-nitrobenzoic acid","CAS":"62-23-7","CAS.Checksum":true,"DTXSID":"DTXSID3020966","Formula":"C7H5NO4","All.Compound.Names":"4-nitrobenzoic acid|Dtxsid3020966|62-23-7","logHenry":-8.597,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.884,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.683,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.852,"logWSol.Reference":"EPA-CCD-OPERA","MP":232.8,"MP.Reference":"EPA-CCD-OPERA","MW":167.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62-23-7"}
{"Compound":"Dopamine hydrochloride","CAS":"62-31-7","CAS.Checksum":true,"DTXSID":"DTXSID7020550","Formula":"C8H12ClNO2","All.Compound.Names":"Dopamine hydrochloride|Dtxsid7020550|62-31-7","logHenry":-9.081,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.377,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.5,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.368,"logWSol.Reference":"EPA-CCD-OPERA","MP":248.9,"MP.Reference":"EPA-CCD-OPERA","MW":189.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62-31-7"}
{"Compound":"Calcium disodium ethylenediaminetetraacetate","CAS":"62-33-9","CAS.Checksum":true,"DTXSID":"DTXSID2036409","Formula":"C10H12CaN2Na2O8","All.Compound.Names":"Calcium disodium ethylenediaminetetraacetate|Dtxsid2036409|62-33-9","logHenry":-10.64,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.511,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.89,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.466,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.3,"MP.Reference":"EPA-CCD-OPERA","MW":374.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62-33-9"}
{"Compound":"Phenylmercuric acetate","CAS":"62-38-4","CAS.Checksum":true,"DTXSID":"DTXSID7021150","Formula":"C8H8HgO2","All.Compound.Names":"Phenylmercuric acetate","MW":336.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62-38-4"}
{"Compound":"Ethyl methanesulfonate","CAS":"62-50-0","CAS.Checksum":true,"DTXSID":"DTXSID6025309","Formula":"C3H8O3S","All.Compound.Names":"Ethyl methanesulfonate|Dtxsid6025309","logHenry":-3.415,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6705,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.11,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2574,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.729,"MP.Reference":"EPA-CCD-OPERA","MW":124.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62-50-0"}
{"Compound":"Methacholine chloride","CAS":"62-51-1","CAS.Checksum":true,"DTXSID":"DTXSID7023271","Formula":"C8H18ClNO2","All.Compound.Names":"Methacholine chloride|Dtxsid7023271|62-51-1","logHenry":-3.331,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5789,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.2,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.259,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.6,"MP.Reference":"EPA-CCD-OPERA","MW":195.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62-51-1"}
{"Compound":"Aniline","CAS":"62-53-3","CAS.Checksum":true,"DTXSID":"DTXSID8020090","Formula":"C6H7N","All.Compound.Names":"Aniline|Dtxsid8020090|62-53-3","logHenry":-5.695,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9019,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.034,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4138,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.915,"MP.Reference":"EPA-CCD-OPERA","MW":93.13,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62-53-3"}
{"Compound":"Thioacetamide","CAS":"62-55-5","CAS.Checksum":true,"DTXSID":"DTXSID9021340","Formula":"C2H5NS","All.Compound.Names":"Thioacetamide|Dtxsid9021340|62-55-5","logHenry":-7.667,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2592,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.427,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.339,"logWSol.Reference":"EPA-CCD-OPERA","MP":115.4,"MP.Reference":"EPA-CCD-OPERA","MW":75.13,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.54","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62-55-5"}
{"Compound":"Thiourea","CAS":"62-56-6","CAS.Checksum":true,"DTXSID":"DTXSID9021348","Formula":"CH4N2S","All.Compound.Names":"Thiourea|Dtxsid9021348|62-56-6","logHenry":-8.447,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.049,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.942,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2713,"logWSol.Reference":"EPA-CCD-OPERA","MP":182,"MP.Reference":"EPA-CCD-OPERA","MW":76.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62-56-6"}
{"Compound":"Proadifen hydrochloride","CAS":"62-68-0","CAS.Checksum":true,"DTXSID":"DTXSID1045792","Formula":"C23H32ClNO2","All.Compound.Names":"Proadifen hydrochloride|Dtxsid1045792|62-68-0","logHenry":-6.946,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.383,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.083,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.375,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.1,"MP.Reference":"EPA-CCD-OPERA","MW":390,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62-68-0"}
{"Compound":"Sodium fluoroacetate","CAS":"62-74-8","CAS.Checksum":true,"DTXSID":"DTXSID8024311","Formula":"C2H2FNaO2","All.Compound.Names":"Sodium fluoroacetate|Dtxsid8024311|62-74-8","logHenry":-7.905,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.458,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.159,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.077,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.9,"MP.Reference":"EPA-CCD-OPERA","MW":100,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62-74-8"}
{"Compound":"N-nitrosodimethylamine","CAS":"62-75-9","CAS.Checksum":true,"DTXSID":"DTXSID7021029","Formula":"C2H6N2O","All.Compound.Names":"N-nitrosodimethylamine|Dtxsid7021029|62-75-9","logHenry":-4.438,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.57,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.946,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.126,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.9273,"MP.Reference":"EPA-CCD-OPERA","MW":74.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62-75-9"}
{"Compound":"Nandrolone phenpropionate","CAS":"62-90-8","CAS.Checksum":true,"DTXSID":"DTXSID2023353","Formula":"C27H34O3","All.Compound.Names":"Nandrolone phenpropionate|Dtxsid2023353","logHenry":-7.161,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.981,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.708,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.8,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.67,"MP.Reference":"EPA-CCD-OPERA","MW":406.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62-90-8"}
{"Compound":"Diphemanil methylsulfate","CAS":"62-97-5","CAS.Checksum":true,"DTXSID":"DTXSID9022948","Formula":"C21H27NO4S","All.Compound.Names":"Diphemanil methylsulfate|Dtxsid9022948|62-97-5","logHenry":-4.279,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.613,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.106,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.641,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.9,"MP.Reference":"EPA-CCD-OPERA","MW":389.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62-97-5"}
{"Compound":"3-ethyltoluene","CAS":"620-14-4","CAS.Checksum":true,"DTXSID":"DTXSID6050386","Formula":"C9H12","All.Compound.Names":"3-ethyltoluene|Dtxsid6050386","logHenry":-2.084,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.974,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5862,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.184,"logWSol.Reference":"EPA-CCD-OPERA","MP":-78.56,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"620-14-4"}
{"Compound":"1-chloro-3-(chloromethyl)-benzene","CAS":"620-20-2","CAS.Checksum":true,"DTXSID":"DTXSID2057786","Formula":"C7H6Cl2","All.Compound.Names":"1-chloro-3-(chloromethyl)-benzene|Alpha,3-dichlorotoluene|Dtxsid2057786","logHenry":-2.648,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.484,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.379,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.194,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.431,"MP.Reference":"EPA-CCD-OPERA","MW":161,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"620-20-2"}
{"Compound":"3-methylbenzonitrile","CAS":"620-22-4","CAS.Checksum":true,"DTXSID":"DTXSID6026167","Formula":"C8H7N","All.Compound.Names":"3-methylbenzonitrile|Dtxsid6026167","logHenry":-4.474,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.758,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.548,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7965,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.574,"MP.Reference":"EPA-CCD-OPERA","MW":117.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"620-22-4"}
{"Compound":"Tribenzylamine","CAS":"620-40-6","CAS.Checksum":true,"DTXSID":"DTXSID5047031","Formula":"C21H21N","All.Compound.Names":"Tribenzylamine|Dtxsid5047031|620-40-6","logHenry":-6.133,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.678,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.944,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.119,"logWSol.Reference":"EPA-CCD-OPERA","MP":91.49,"MP.Reference":"EPA-CCD-OPERA","MW":287.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"620-40-6"}
{"Compound":"Phenacaine hydrochloride","CAS":"620-99-5","CAS.Checksum":true,"DTXSID":"DTXSID0048769","Formula":"C18H23ClN2O2","All.Compound.Names":"Phenacaine hydrochloride|Dtxsid0048769|620-99-5","logHenry":-9.381,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.009,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.963,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.3,"MP.Reference":"EPA-CCD-OPERA","MW":334.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"620-99-5"}
{"Compound":"5-amino-3-sulfosalicylic acid","CAS":"6201-87-2","CAS.Checksum":true,"DTXSID":"DTXSID0024507","Formula":"C7H7NO6S","All.Compound.Names":"5-amino-3-sulfosalicylic acid|Dtxsid0024507|6201-87-2","logHenry":-9.831,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.744,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8498,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.9,"MP.Reference":"EPA-CCD-OPERA","MW":233.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6201-87-2"}
{"Compound":"Dirithromycin","CAS":"62013-04-1","CAS.Checksum":true,"DTXSID":"DTXSID7048956","Formula":"C42H78N2O14","All.Compound.Names":"Dirithromycin|62013-04-1|Dtxsid7048956","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.449,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.098,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.962,"logWSol.Reference":"EPA-CCD-OPERA","MP":139,"MP.Reference":"EPA-CCD-OPERA","MW":835.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.1,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"62013-04-1"}
{"Compound":"Cyclobenzaprine hydrochloride","CAS":"6202-23-9","CAS.Checksum":true,"DTXSID":"DTXSID2045105","Formula":"C20H22ClN","All.Compound.Names":"Cyclobenzaprine hydrochloride|Dtxsid2045105|6202-23-9","logHenry":-7.5,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7703,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.812,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.557,"logWSol.Reference":"EPA-CCD-OPERA","MP":175,"MP.Reference":"EPA-CCD-OPERA","MW":311.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6202-23-9"}
{"Compound":"N-benzyl-n-hydroxy-1-phenylmethanamine","CAS":"621-07-8","CAS.Checksum":true,"DTXSID":"DTXSID3044702","Formula":"C14H15NO","All.Compound.Names":"N-benzyl-n-hydroxy-1-phenylmethanamine|Dtxsid3044702|621-07-8","logHenry":-6.087,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.783,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.014,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.455,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.04,"MP.Reference":"EPA-CCD-OPERA","MW":213.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"621-07-8"}
{"Compound":"1,3,5-trimethoxybenzene","CAS":"621-23-8","CAS.Checksum":true,"DTXSID":"DTXSID0045963","Formula":"C9H12O3","All.Compound.Names":"1,3,5-trimethoxybenzene|Dtxsid0045963","logHenry":-4.844,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.352,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.721,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.865,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.44,"MP.Reference":"EPA-CCD-OPERA","MW":168.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"621-23-8"}
{"Compound":"3-ethoxyaniline","CAS":"621-33-0","CAS.Checksum":true,"DTXSID":"DTXSID0025862","Formula":"C8H11NO","All.Compound.Names":"3-ethoxyaniline|Dtxsid0025862|621-33-0","logHenry":-6.652,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.041,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.407,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9632,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.09,"MP.Reference":"EPA-CCD-OPERA","MW":137.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"621-33-0"}
{"Compound":"3-acetamidophenol","CAS":"621-42-1","CAS.Checksum":true,"DTXSID":"DTXSID3022089","Formula":"C8H9NO2","All.Compound.Names":"3-acetamidophenol|Dtxsid3022089","logHenry":-8.686,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7276,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.228,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.446,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.2,"MP.Reference":"EPA-CCD-OPERA","MW":151.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"621-42-1"}
{"Compound":"Benzaldehyde,3-hydroxy-4-methoxy-","CAS":"621-59-0","CAS.Checksum":true,"DTXSID":"DTXSID7049423","Formula":"C8H8O3","All.Compound.Names":"Benzaldehyde,3-hydroxy-4-methoxy-|3-hydroxy-4-methoxy-benzaldehyde|Dtxsid7049423|621-59-0","logHenry":-6.887,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9889,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.491,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.49,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.4,"MP.Reference":"EPA-CCD-OPERA","MW":152.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"621-59-0"}
{"Compound":"N-nitrosodipropylamine","CAS":"621-64-7","CAS.Checksum":true,"DTXSID":"DTXSID6021032","Formula":"C6H14N2O","All.Compound.Names":"N-nitrosodipropylamine|N-nitrosodi-n-propylamine|Dtxsid6021032|621-64-7","logHenry":-3.488,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.362,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.964,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.95,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"621-64-7"}
{"Compound":"Tripropyl orthoformate","CAS":"621-76-1","CAS.Checksum":true,"DTXSID":"DTXSID4044450","Formula":"C10H22O3","All.Compound.Names":"Tripropyl orthoformate|Dtxsid4044450","logHenry":-4.087,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.294,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.239,"logWSol.Reference":"EPA-CCD-OPERA","MP":-32.13,"MP.Reference":"EPA-CCD-OPERA","MW":190.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"621-76-1"}
{"Compound":"Morphine sulfate pentahydrate","CAS":"6211-15-0","CAS.Checksum":true,"DTXSID":"DTXSID1048914","Formula":"C34H50N2O15S","All.Compound.Names":"Morphine sulfate pentahydrate|Dtxsid1048914|6211-15-0","logHenry":-10.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8897,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.279,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.1,"MP.Reference":"EPA-CCD-OPERA","MW":758.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6211-15-0"}
{"Compound":"Methyl 5-(ethylsulfonyl)-o-anisate","CAS":"62140-67-4","CAS.Checksum":true,"DTXSID":"DTXSID7057787","Formula":"C11H14O5S","All.Compound.Names":"Methyl 5-(ethylsulfonyl)-o-anisate|Dtxsid7057787","logHenry":-7.718,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.89,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.556,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.963,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.7,"MP.Reference":"EPA-CCD-OPERA","MW":258.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62140-67-4"}
{"Compound":"Docosahexaenoic acid","CAS":"6217-54-5","CAS.Checksum":true,"DTXSID":"DTXSID5040465","Formula":"C22H32O2","All.Compound.Names":"Docosahexaenoic acid|Cervonic acid|Dtxsid5040465|6217-54-5","logHenry":-7.36,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.981,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.746,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.479,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.601,"MP.Reference":"EPA-CCD-OPERA","MW":328.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6217-54-5"}
{"Compound":"4-amino-4'-hydroxy-3-methyldiphenylamine","CAS":"6219-89-2","CAS.Checksum":true,"DTXSID":"DTXSID9024483","Formula":"C13H14N2O","All.Compound.Names":"4-amino-4'-hydroxy-3-methyldiphenylamine|4-(4-amino-3-methylanilino)phenol|Dtxsid9024483|6219-89-2","logHenry":-7.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.516,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.712,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.899,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.7,"MP.Reference":"EPA-CCD-OPERA","MW":214.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6219-89-2"}
{"Compound":"1,2-bis(phenylthio)ethane","CAS":"622-20-8","CAS.Checksum":true,"DTXSID":"DTXSID1024625","Formula":"C14H14S2","All.Compound.Names":"1,2-bis(phenylthio)ethane|Dtxsid1024625","logHenry":-4.924,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.189,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.326,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.636,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.91,"MP.Reference":"EPA-CCD-OPERA","MW":246.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"622-20-8"}
{"Compound":"4-(2-hydroxyethyl)morpholine","CAS":"622-40-2","CAS.Checksum":true,"DTXSID":"DTXSID2022090","Formula":"C6H13NO2","All.Compound.Names":"4-(2-hydroxyethyl)morpholine|Dtxsid2022090|622-40-2","logHenry":-8.534,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1191,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.751,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.917,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.52,"MP.Reference":"EPA-CCD-OPERA","MW":131.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"622-40-2"}
{"Compound":"Cyclohexyl acetate","CAS":"622-45-7","CAS.Checksum":true,"DTXSID":"DTXSID6052299","Formula":"C8H14O2","All.Compound.Names":"Cyclohexyl acetate|Dtxsid6052299","logHenry":-3.421,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.054,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.418,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.675,"logWSol.Reference":"EPA-CCD-OPERA","MP":-64.6,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"622-45-7"}
{"Compound":"P-tolylurea","CAS":"622-51-5","CAS.Checksum":true,"DTXSID":"DTXSID7021366","Formula":"C8H10N2O","All.Compound.Names":"P-tolylurea|Dtxsid7021366|622-51-5","logHenry":-7.969,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.255,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.865,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.447,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.6,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"622-51-5"}
{"Compound":"4-ethoxyphenol","CAS":"622-62-8","CAS.Checksum":true,"DTXSID":"DTXSID3044251","Formula":"C8H10O2","All.Compound.Names":"4-ethoxyphenol|Dtxsid3044251|622-62-8","logHenry":-6.48,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.811,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.909,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.356,"logWSol.Reference":"EPA-CCD-OPERA","MP":66.32,"MP.Reference":"EPA-CCD-OPERA","MW":138.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"622-62-8"}
{"Compound":"Benzyl isothiocyanate","CAS":"622-78-6","CAS.Checksum":true,"DTXSID":"DTXSID0020155","Formula":"C8H7NS","All.Compound.Names":"Benzyl isothiocyanate|Dtxsid0020155|622-78-6","logHenry":-4.338,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.159,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.356,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.14,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.5,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"622-78-6"}
{"Compound":"4-ethyltoluene","CAS":"622-96-8","CAS.Checksum":true,"DTXSID":"DTXSID9029194","Formula":"C9H12","All.Compound.Names":"4-ethyltoluene|Dtxsid9029194","logHenry":-2.078,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.634,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9261,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.117,"logWSol.Reference":"EPA-CCD-OPERA","MP":-78.56,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"622-96-8"}
{"Compound":"4-methylstyrene","CAS":"622-97-9","CAS.Checksum":true,"DTXSID":"DTXSID3020889","Formula":"C9H10","All.Compound.Names":"4-methylstyrene|Dtxsid3020889","logHenry":-2.529,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.655,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8367,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.121,"logWSol.Reference":"EPA-CCD-OPERA","MP":-52.98,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"622-97-9"}
{"Compound":"1-hexylpyridinium chloride","CAS":"6220-15-1","CAS.Checksum":true,"DTXSID":"DTXSID2047935","Formula":"C11H18ClN","All.Compound.Names":"1-hexylpyridinium chloride|Dtxsid2047935|6220-15-1","logHenry":-2.982,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1769,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.547,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.494,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.4,"MP.Reference":"EPA-CCD-OPERA","MW":199.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6220-15-1"}
{"Compound":"N,n-dimethylpentanamide","CAS":"6225-06-5","CAS.Checksum":true,"DTXSID":"DTXSID1025063","Formula":"C7H15NO","All.Compound.Names":"N,n-dimethylpentanamide|Dtxsid1025063|6225-06-5","logHenry":-7.309,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7471,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.569,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.556,"logWSol.Reference":"EPA-CCD-OPERA","MP":-50.77,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6225-06-5"}
{"Compound":"1,3-dioxane-5,5-diyldimethanol","CAS":"6228-25-7","CAS.Checksum":true,"DTXSID":"DTXSID8044967","Formula":"C6H12O4","All.Compound.Names":"1,3-dioxane-5,5-diyldimethanol|Dtxsid8044967|6228-25-7","logHenry":-6.693,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6342,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.281,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4077,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.96,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6228-25-7"}
{"Compound":"Desmopressin acetate","CAS":"62288-83-9","CAS.Checksum":true,"DTXSID":"DTXSID4046864","Formula":"C48H68N14O14S2","All.Compound.Names":"Desmopressin acetate|Dtxsid4046864|62288-83-9","logHenry":-11.81,"logHenry.Reference":"OPERA29","logP":-1.79,"logP.Reference":"OPERA29","logWSol":-3.76,"logWSol.Reference":"OPERA29","MP":334,"MP.Reference":"OPERA29","MW":1129,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62288-83-9"}
{"Compound":"4-chlorobenzonitrile","CAS":"623-03-0","CAS.Checksum":true,"DTXSID":"DTXSID8044703","Formula":"C7H4ClN","All.Compound.Names":"4-chlorobenzonitrile|Dtxsid8044703","logHenry":-5.326,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.468,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.354,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.314,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.36,"MP.Reference":"EPA-CCD-OPERA","MW":137.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"623-03-0"}
{"Compound":"4-chloromercuriphenol","CAS":"623-07-4","CAS.Checksum":true,"DTXSID":"DTXSID8046872","Formula":"C6H5ClHgO","All.Compound.Names":"4-chloromercuriphenol","MW":329.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"623-07-4"}
{"Compound":"Furfural acetone","CAS":"623-15-4","CAS.Checksum":true,"DTXSID":"DTXSID2025345","Formula":"C8H8O2","All.Compound.Names":"Furfural acetone|Dtxsid2025345|623-15-4","logHenry":-7.365,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.352,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.078,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.038,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.48,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"623-15-4"}
{"Compound":"Furfuryl acetate","CAS":"623-17-6","CAS.Checksum":true,"DTXSID":"DTXSID7025346","Formula":"C7H8O3","All.Compound.Names":"Furfuryl acetate|Dtxsid7025346|623-17-6","logHenry":-4.6,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.725,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.833,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.45,"MP.Reference":"EPA-CCD-OPERA","MW":140.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"623-17-6"}
{"Compound":"Ethyl glycinate hydrochloride","CAS":"623-33-6","CAS.Checksum":true,"DTXSID":"DTXSID8052300","Formula":"C4H10ClNO2","All.Compound.Names":"Ethyl glycinate hydrochloride|Dtxsid8052300|623-33-6","logHenry":-6.52,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.36,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.711,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.253,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.1,"MP.Reference":"EPA-CCD-OPERA","MW":139.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"623-33-6"}
{"Compound":"2-methylpent-2-enal","CAS":"623-36-9","CAS.Checksum":true,"DTXSID":"DTXSID3052301","Formula":"C6H10O","All.Compound.Names":"2-methylpent-2-enal|Dtxsid3052301","logHenry":-4.709,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.07,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.32,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7595,"logWSol.Reference":"EPA-CCD-OPERA","MP":-64.05,"MP.Reference":"EPA-CCD-OPERA","MW":98.14,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"623-36-9"}
{"Compound":"1-o-methylglycerol","CAS":"623-39-2","CAS.Checksum":true,"DTXSID":"DTXSID3049336","Formula":"C4H10O3","All.Compound.Names":"1-o-methylglycerol|Dtxsid3049336|623-39-2","logHenry":-7.442,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.079,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.174,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6769,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.51,"MP.Reference":"EPA-CCD-OPERA","MW":106.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"623-39-2"}
{"Compound":"Methyl butyrate","CAS":"623-42-7","CAS.Checksum":true,"DTXSID":"DTXSID5047083","Formula":"C5H10O2","All.Compound.Names":"Methyl butyrate|Dtxsid5047083","logHenry":-3.686,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.29,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.898,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8242,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.87,"MP.Reference":"EPA-CCD-OPERA","MW":102.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"623-42-7"}
{"Compound":"Acetic acid,mercapto-,ethylester","CAS":"623-51-8","CAS.Checksum":true,"DTXSID":"DTXSID8049337","Formula":"C4H8O2S","All.Compound.Names":"Acetic acid,mercapto-,ethylester|Dtxsid8049337|Ethyl mercaptoacetate|623-51-8","logHenry":-7.57,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5986,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.521,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9362,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.71,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"623-51-8"}
{"Compound":"Propane-1,2-diyl diacetate","CAS":"623-84-7","CAS.Checksum":true,"DTXSID":"DTXSID9044827","Formula":"C7H12O4","All.Compound.Names":"Propane-1,2-diyl diacetate|Propylene glycol diacetate|Dtxsid9044827","logHenry":-4.937,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8883,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.24,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2091,"logWSol.Reference":"EPA-CCD-OPERA","MP":-24.84,"MP.Reference":"EPA-CCD-OPERA","MW":160.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"623-84-7"}
{"Compound":"Diethyl (2e)-but-2-enedioate","CAS":"623-91-6","CAS.Checksum":true,"DTXSID":"DTXSID7027253","Formula":"C8H12O4","All.Compound.Names":"Diethyl (2e)-but-2-enedioate|(2e)-2-butenedioic acid diethyl ester|Dtxsid7027253","logHenry":-5.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8195,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.761,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.089,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.545,"MP.Reference":"EPA-CCD-OPERA","MW":172.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"623-91-6"}
{"Compound":"1-hexylpyridinium trifluoromethanesulfonate","CAS":"623167-81-7","CAS.Checksum":true,"DTXSID":"DTXSID8049335","Formula":"C12H18F3NO3S","All.Compound.Names":"1-hexylpyridinium trifluoromethanesulfonate|Dtxsid8049335|623167-81-7","logHenry":-2.982,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7494,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.975,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.494,"logWSol.Reference":"EPA-CCD-OPERA","MP":159,"MP.Reference":"EPA-CCD-OPERA","MW":313.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"623167-81-7"}
{"Compound":"Oxytocin acetate","CAS":"6233-83-6","CAS.Checksum":true,"DTXSID":"DTXSID1046552","Formula":"C45H70N12O14S2","All.Compound.Names":"Oxytocin acetate|Dtxsid1046552|6233-83-6","logHenry":-10.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9034,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.724,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8564,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.2,"MP.Reference":"EPA-CCD-OPERA","MW":1067,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6233-83-6"}
{"Compound":"1-butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide","CAS":"623580-02-9","CAS.Checksum":true,"DTXSID":"DTXSID3049338","Formula":"C12H22F6N2O4S2","All.Compound.Names":"1-butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide","MW":436.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"623580-02-9"}
{"Compound":"Nifuroxime","CAS":"6236-05-1","CAS.Checksum":true,"DTXSID":"DTXSID8046402","Formula":"C5H4N2O4","All.Compound.Names":"Nifuroxime|Dtxsid8046402|6236-05-1","logHenry":-6.907,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3023,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.667,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.191,"logWSol.Reference":"EPA-CCD-OPERA","MP":163,"MP.Reference":"EPA-CCD-OPERA","MW":156.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6236-05-1"}
{"Compound":"1,4-benzenediamine dihydrochloride","CAS":"624-18-0","CAS.Checksum":true,"DTXSID":"DTXSID8021141","Formula":"C6H10Cl2N2","All.Compound.Names":"1,4-benzenediamine dihydrochloride|Dtxsid8021141|624-18-0","logHenry":-7.246,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.124,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.791,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.407,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.2,"MP.Reference":"EPA-CCD-OPERA","MW":181.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"624-18-0"}
{"Compound":"2-methylbutyl acetate","CAS":"624-41-9","CAS.Checksum":true,"DTXSID":"DTXSID2027254","Formula":"C7H14O2","All.Compound.Names":"2-methylbutyl acetate|Dtxsid2027254","logHenry":-3.389,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.306,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.581,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.848,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.73,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"624-41-9"}
{"Compound":"Dimethyl maleate","CAS":"624-48-6","CAS.Checksum":true,"DTXSID":"DTXSID4040765","Formula":"C6H8O4","All.Compound.Names":"Dimethyl maleate|Dtxsid4040765","logHenry":-4.936,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2198,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.66,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2573,"logWSol.Reference":"EPA-CCD-OPERA","MP":-12.94,"MP.Reference":"EPA-CCD-OPERA","MW":144.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"624-48-6"}
{"Compound":"Methyl isocyanate","CAS":"624-83-9","CAS.Checksum":true,"DTXSID":"DTXSID1023786","Formula":"C2H3NO","All.Compound.Names":"Methyl isocyanate|Dtxsid1023786|624-83-9","logHenry":-4.25,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3325,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.3,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1272,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.93,"MP.Reference":"EPA-CCD-OPERA","MW":57.05,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"624-83-9"}
{"Compound":"Methyl disulfide","CAS":"624-92-0","CAS.Checksum":true,"DTXSID":"DTXSID4025117","Formula":"C2H6S2","All.Compound.Names":"Methyl disulfide|Dtxsid4025117","logHenry":-2.918,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.771,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.578,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.479,"logWSol.Reference":"EPA-CCD-OPERA","MP":-84.8,"MP.Reference":"EPA-CCD-OPERA","MW":94.19,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"624-92-0"}
{"Compound":"Acifluorfen-sodium","CAS":"62476-59-9","CAS.Checksum":true,"DTXSID":"DTXSID7023853","Formula":"C14H6ClF3NNaO5","All.Compound.Names":"Acifluorfen-sodium|Acifluorfen sodium|Dtxsid7023853|62476-59-9","logHenry":-7.967,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.24,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.393,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.084,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.5,"MP.Reference":"EPA-CCD-OPERA","MW":383.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62476-59-9"}
{"Compound":"Isovaleronitrile","CAS":"625-28-5","CAS.Checksum":true,"DTXSID":"DTXSID0021620","Formula":"C5H9N","All.Compound.Names":"Isovaleronitrile|Dtxsid0021620","logHenry":-4.549,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.071,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.994,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.153,"logWSol.Reference":"EPA-CCD-OPERA","MP":-99.85,"MP.Reference":"EPA-CCD-OPERA","MW":83.13,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"625-28-5"}
{"Compound":"2-nitroethanol","CAS":"625-48-9","CAS.Checksum":true,"DTXSID":"DTXSID8025751","Formula":"C2H5NO3","All.Compound.Names":"2-nitroethanol|Dtxsid8025751|625-48-9","logHenry":-5.896,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4238,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.508,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.041,"logWSol.Reference":"EPA-CCD-OPERA","MP":-79.83,"MP.Reference":"EPA-CCD-OPERA","MW":91.07,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"625-48-9"}
{"Compound":"Isopropyl formate","CAS":"625-55-8","CAS.Checksum":true,"DTXSID":"DTXSID2027258","Formula":"C4H8O2","All.Compound.Names":"Isopropyl formate|Dtxsid2027258","logHenry":-3.556,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7638,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.489,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6276,"logWSol.Reference":"EPA-CCD-OPERA","MP":-80.25,"MP.Reference":"EPA-CCD-OPERA","MW":88.11,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"625-55-8"}
{"Compound":"2,4-pentanediol","CAS":"625-69-4","CAS.Checksum":true,"DTXSID":"DTXSID9032878","Formula":"C5H12O2","All.Compound.Names":"2,4-pentanediol|Dtxsid9032878|625-69-4","logHenry":-7.042,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.00971,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.073,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.025,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.29,"MP.Reference":"EPA-CCD-OPERA","MW":104.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"625-69-4"}
{"Compound":"2,5-dimethylfuran","CAS":"625-86-5","CAS.Checksum":true,"DTXSID":"DTXSID7022093","Formula":"C6H8O","All.Compound.Names":"2,5-dimethylfuran|Dtxsid7022093|625-86-5","logHenry":-3.848,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.239,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9429,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.709,"logWSol.Reference":"EPA-CCD-OPERA","MP":-63.07,"MP.Reference":"EPA-CCD-OPERA","MW":96.13,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"625-86-5"}
{"Compound":"Hexyl salicylate","CAS":"6259-76-3","CAS.Checksum":true,"DTXSID":"DTXSID4038924","Formula":"C13H18O3","All.Compound.Names":"Hexyl salicylate|Dtxsid4038924|6259-76-3","logHenry":-8.047,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.185,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.926,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.548,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.54,"MP.Reference":"EPA-CCD-OPERA","MW":222.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"191.4","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0,0,0","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"6259-76-3"}
{"Compound":"1,3-benzenedicarbonitrile","CAS":"626-17-5","CAS.Checksum":true,"DTXSID":"DTXSID7027259","Formula":"C8H4N2","All.Compound.Names":"1,3-benzenedicarbonitrile|Dtxsid7027259","logHenry":-6.893,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.803,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.272,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.083,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.3,"MP.Reference":"EPA-CCD-OPERA","MW":128.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"626-17-5"}
{"Compound":"6-methyluracil","CAS":"626-48-2","CAS.Checksum":true,"DTXSID":"DTXSID8052308","Formula":"C5H6N2O2","All.Compound.Names":"6-methyluracil|Dtxsid8052308|626-48-2","logHenry":-7.601,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7698,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.486,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.258,"logWSol.Reference":"EPA-CCD-OPERA","MP":299.8,"MP.Reference":"EPA-CCD-OPERA","MW":126.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.75","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"626-48-2"}
{"Compound":"3-methylpiperidine","CAS":"626-56-2","CAS.Checksum":true,"DTXSID":"DTXSID4029195","Formula":"C6H13N","All.Compound.Names":"3-methylpiperidine|Dtxsid4029195|626-56-2","logHenry":-5.117,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.308,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.183,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2826,"logWSol.Reference":"EPA-CCD-OPERA","MP":-23.59,"MP.Reference":"EPA-CCD-OPERA","MW":99.18,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"626-56-2"}
{"Compound":"3-chloropyridine","CAS":"626-60-8","CAS.Checksum":true,"DTXSID":"DTXSID3052309","Formula":"C5H4ClN","All.Compound.Names":"3-chloropyridine|Dtxsid3052309|626-60-8","logHenry":-4.405,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.331,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.622,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1601,"logWSol.Reference":"EPA-CCD-OPERA","MP":-27.18,"MP.Reference":"EPA-CCD-OPERA","MW":113.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"626-60-8"}
{"Compound":"4-pyridinol","CAS":"626-64-2","CAS.Checksum":true,"DTXSID":"DTXSID2052310","Formula":"C5H5NO","All.Compound.Names":"4-pyridinol|Dtxsid2052310|626-64-2","logHenry":-6.747,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.292,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.189,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.005,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.4,"MP.Reference":"EPA-CCD-OPERA","MW":95.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.1","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"626-64-2"}
{"Compound":"4-methylpentan-1-ol","CAS":"626-89-1","CAS.Checksum":true,"DTXSID":"DTXSID0044313","Formula":"C6H14O","All.Compound.Names":"4-methylpentan-1-ol|Dtxsid0044313|626-89-1","logHenry":-4.697,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.846,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.521,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.138,"logWSol.Reference":"EPA-CCD-OPERA","MP":-62.99,"MP.Reference":"EPA-CCD-OPERA","MW":102.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"626-89-1"}
{"Compound":"Tetrachlorocyclopropene","CAS":"6262-42-6","CAS.Checksum":true,"DTXSID":"DTXSID6021660","Formula":"C3Cl4","All.Compound.Names":"Tetrachlorocyclopropene|Dtxsid6021660","logHenry":-2.507,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.043,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.515,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.416,"logWSol.Reference":"EPA-CCD-OPERA","MP":-37.67,"MP.Reference":"EPA-CCD-OPERA","MW":177.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6262-42-6"}
{"Compound":"3,4,4'-triaminodiphenyl ether","CAS":"6264-66-0","CAS.Checksum":true,"DTXSID":"DTXSID1021372","Formula":"C12H13N3O","All.Compound.Names":"3,4,4'-triaminodiphenyl ether|Dtxsid1021372|6264-66-0","logHenry":-7.999,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.921,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.287,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.009,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.2,"MP.Reference":"EPA-CCD-OPERA","MW":215.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6264-66-0"}
{"Compound":"Bopindolol","CAS":"62658-63-3","CAS.Checksum":true,"DTXSID":"DTXSID6022684","Formula":"C23H28N2O3","All.Compound.Names":"Bopindolol|Dtxsid6022684|62658-63-3","logHenry":-8.414,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.112,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.422,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.89,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.5,"MP.Reference":"EPA-CCD-OPERA","MW":380.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62658-63-3"}
{"Compound":"Cholic acid piperazine (1:1)","CAS":"6266-73-5","CAS.Checksum":true,"DTXSID":"DTXSID0045094","Formula":"C28H50N2O5","All.Compound.Names":"Cholic acid piperazine (1:1)|Dtxsid0045094|6266-73-5","logHenry":-11.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5544,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.871,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.37,"logWSol.Reference":"EPA-CCD-OPERA","MP":179,"MP.Reference":"EPA-CCD-OPERA","MW":494.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6266-73-5"}
{"Compound":"Ethoxyacetic acid","CAS":"627-03-2","CAS.Checksum":true,"DTXSID":"DTXSID7031294","Formula":"C4H8O3","All.Compound.Names":"Ethoxyacetic acid|Dtxsid7031294|627-03-2","logHenry":-6.609,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.0584,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.113,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5927,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.75,"MP.Reference":"EPA-CCD-OPERA","MW":104.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"627-03-2"}
{"Compound":"1-nitrobutane","CAS":"627-05-4","CAS.Checksum":true,"DTXSID":"DTXSID8020967","Formula":"C4H9NO2","All.Compound.Names":"1-nitrobutane|Dtxsid8020967","logHenry":-4.469,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.469,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.565,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.346,"logWSol.Reference":"EPA-CCD-OPERA","MP":-80.63,"MP.Reference":"EPA-CCD-OPERA","MW":103.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"627-05-4"}
{"Compound":"3-bromo-1-propanol","CAS":"627-18-9","CAS.Checksum":true,"DTXSID":"DTXSID3024657","Formula":"C3H7BrO","All.Compound.Names":"3-bromo-1-propanol|Dtxsid3024657|627-18-9","logHenry":-5.937,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.024,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.352,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01149,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.65,"MP.Reference":"EPA-CCD-OPERA","MW":139,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"627-18-9"}
{"Compound":"3-chloro-1-propanol","CAS":"627-30-5","CAS.Checksum":true,"DTXSID":"DTXSID9024809","Formula":"C3H7ClO","All.Compound.Names":"3-chloro-1-propanol|Dtxsid9024809|627-30-5","logHenry":-5.227,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5006,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.746,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4221,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.82,"MP.Reference":"EPA-CCD-OPERA","MW":94.54,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"627-30-5"}
{"Compound":"Fumaryl chloride","CAS":"627-63-4","CAS.Checksum":true,"DTXSID":"DTXSID3033519","Formula":"C4H2Cl2O2","All.Compound.Names":"Fumaryl chloride|Dtxsid3033519","logHenry":-6.544,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1337,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.173,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.04302,"logWSol.Reference":"EPA-CCD-OPERA","MP":23.02,"MP.Reference":"EPA-CCD-OPERA","MW":153,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"627-63-4"}
{"Compound":"Methyl hexanedioate","CAS":"627-91-8","CAS.Checksum":true,"DTXSID":"DTXSID9044451","Formula":"C7H12O4","All.Compound.Names":"Methyl hexanedioate|Methyl hydrogen adipate|Dtxsid9044451|627-91-8","logHenry":-7.785,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3027,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.091,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8547,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.066,"MP.Reference":"EPA-CCD-OPERA","MW":160.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"627-91-8"}
{"Compound":"Dimethyl adipate","CAS":"627-93-0","CAS.Checksum":true,"DTXSID":"DTXSID8025096","Formula":"C8H14O4","All.Compound.Names":"Dimethyl adipate|Dtxsid8025096","logHenry":-5.658,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.03,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.711,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.451,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.442,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"627-93-0"}
{"Compound":"Hexanamide","CAS":"628-02-4","CAS.Checksum":true,"DTXSID":"DTXSID6020696","Formula":"C6H13NO","All.Compound.Names":"Hexanamide|Dtxsid6020696|628-02-4","logHenry":-6.883,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.458,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.837,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7939,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.1,"MP.Reference":"EPA-CCD-OPERA","MW":115.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"628-02-4"}
{"Compound":"Pyridine hydrochloride","CAS":"628-13-7","CAS.Checksum":true,"DTXSID":"DTXSID6027262","Formula":"C5H6ClN","All.Compound.Names":"Pyridine hydrochloride|Dtxsid6027262|628-13-7","logHenry":-4.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.236,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.558,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9758,"logWSol.Reference":"EPA-CCD-OPERA","MP":132,"MP.Reference":"EPA-CCD-OPERA","MW":115.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"628-13-7"}
{"Compound":"1,2-diformylhydrazine","CAS":"628-36-4","CAS.Checksum":true,"DTXSID":"DTXSID8020468","Formula":"C2H4N2O2","All.Compound.Names":"1,2-diformylhydrazine|Dtxsid8020468|628-36-4","logHenry":-7.363,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.579,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.469,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3118,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.9,"MP.Reference":"EPA-CCD-OPERA","MW":88.07,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"628-36-4"}
{"Compound":"5-methylhexanoic acid","CAS":"628-46-6","CAS.Checksum":true,"DTXSID":"DTXSID8044252","Formula":"C7H14O2","All.Compound.Names":"5-methylhexanoic acid|Dtxsid8044252|628-46-6","logHenry":-6.088,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.417,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.562,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.598,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.302,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"628-46-6"}
{"Compound":"Pentyl acetate","CAS":"628-63-7","CAS.Checksum":true,"DTXSID":"DTXSID1027263","Formula":"C7H14O2","All.Compound.Names":"Pentyl acetate|Dtxsid1027263","logHenry":-3.411,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.295,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.794,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.886,"logWSol.Reference":"EPA-CCD-OPERA","MP":-73.45,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"628-63-7"}
{"Compound":"1-ethoxybutane","CAS":"628-81-9","CAS.Checksum":true,"DTXSID":"DTXSID7052311","Formula":"C6H14O","All.Compound.Names":"1-ethoxybutane|Dtxsid7052311","logHenry":-2.739,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.028,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.059,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.4,"logWSol.Reference":"EPA-CCD-OPERA","MP":-123.7,"MP.Reference":"EPA-CCD-OPERA","MW":102.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"628-81-9"}
{"Compound":"Iminodiacetonitrile","CAS":"628-87-5","CAS.Checksum":true,"DTXSID":"DTXSID3041580","Formula":"C4H5N3","All.Compound.Names":"Iminodiacetonitrile|Dtxsid3041580|628-87-5","logHenry":-6.903,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7306,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.627,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2092,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.14,"MP.Reference":"EPA-CCD-OPERA","MW":95.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"628-87-5"}
{"Compound":"Adipamide","CAS":"628-94-4","CAS.Checksum":true,"DTXSID":"DTXSID4020032","Formula":"C6H12N2O2","All.Compound.Names":"Adipamide|Dtxsid4020032|628-94-4","logHenry":-9.366,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.086,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.16,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4826,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.6,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"628-94-4"}
{"Compound":"Ethyl hexadecanoate","CAS":"628-97-7","CAS.Checksum":true,"DTXSID":"DTXSID2047511","Formula":"C18H36O2","All.Compound.Names":"Ethyl hexadecanoate|Dtxsid2047511","logHenry":-6.506,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.613,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.251,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.629,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.59,"MP.Reference":"EPA-CCD-OPERA","MW":284.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"628-97-7"}
{"Compound":"1-(2-aminoethyl)imidazolidin-2-one","CAS":"6281-42-1","CAS.Checksum":true,"DTXSID":"DTXSID3044706","Formula":"C5H11N3O","All.Compound.Names":"1-(2-aminoethyl)imidazolidin-2-one|Dtxsid3044706|6281-42-1","logHenry":-7.588,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.072,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.993,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.09016,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.6,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6281-42-1"}
{"Compound":"2-chloro-5-nitroaniline","CAS":"6283-25-6","CAS.Checksum":true,"DTXSID":"DTXSID6038827","Formula":"C6H5ClN2O2","All.Compound.Names":"2-chloro-5-nitroaniline|Dtxsid6038827|6283-25-6","logHenry":-7.167,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.228,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.487,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.58,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.8,"MP.Reference":"EPA-CCD-OPERA","MW":172.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6283-25-6"}
{"Compound":"Meglumine","CAS":"6284-40-8","CAS.Checksum":true,"DTXSID":"DTXSID0023244","Formula":"C7H17NO5","All.Compound.Names":"Meglumine|(2r,3r,4r,5s)-6-(methylamino)hexane-1,2,3,4,5-pentol|Dtxsid0023244|6284-40-8","logHenry":-10.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.22,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.68,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4828,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.5,"MP.Reference":"EPA-CCD-OPERA","MW":195.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6284-40-8"}
{"Compound":"Ethyl 4-chlorophenyl ketone","CAS":"6285-05-8","CAS.Checksum":true,"DTXSID":"DTXSID1048203","Formula":"C9H9ClO","All.Compound.Names":"Ethyl 4-chlorophenyl ketone|Dtxsid1048203","logHenry":-5.484,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.399,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.415,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.369,"logWSol.Reference":"EPA-CCD-OPERA","MP":36.9,"MP.Reference":"EPA-CCD-OPERA","MW":168.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6285-05-8"}
{"Compound":"2-amino-6-nitrobenzothiazole","CAS":"6285-57-0","CAS.Checksum":true,"DTXSID":"DTXSID3024491","Formula":"C7H5N3O2S","All.Compound.Names":"2-amino-6-nitrobenzothiazole|Dtxsid3024491|6285-57-0","logHenry":-7.357,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.407,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.556,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.023,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.1,"MP.Reference":"EPA-CCD-OPERA","MW":195.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6285-57-0"}
{"Compound":"3,4-dichlorobenzaldehyde","CAS":"6287-38-3","CAS.Checksum":true,"DTXSID":"DTXSID0024971","Formula":"C7H4Cl2O","All.Compound.Names":"3,4-dichlorobenzaldehyde|Dtxsid0024971","logHenry":-3.627,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.8,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.761,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.72,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.73,"MP.Reference":"EPA-CCD-OPERA","MW":175,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6287-38-3"}
{"Compound":"1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester","CAS":"6289-46-9","CAS.Checksum":true,"DTXSID":"DTXSID3027617","Formula":"C10H12O6","All.Compound.Names":"1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester|Dimethyl succinylsuccinate|Dtxsid3027617","logHenry":-8.722,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.01655,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.753,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.655,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.45,"MP.Reference":"EPA-CCD-OPERA","MW":228.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6289-46-9"}
{"Compound":"Cefoperazone sodium","CAS":"62893-20-3","CAS.Checksum":true,"DTXSID":"DTXSID6045874","Formula":"C25H26N9NaO8S2","All.Compound.Names":"Cefoperazone sodium|Dtxsid6045874|62893-20-3","logHenry":-10.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9832,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.574,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.999,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.5,"MP.Reference":"EPA-CCD-OPERA","MW":667.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.72","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62893-20-3"}
{"Compound":"1,6-dibromohexane","CAS":"629-03-8","CAS.Checksum":true,"DTXSID":"DTXSID4044452","Formula":"C6H12Br2","All.Compound.Names":"1,6-dibromohexane|Dtxsid4044452","logHenry":-3.153,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.887,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.167,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.955,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.493,"MP.Reference":"EPA-CCD-OPERA","MW":244,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"629-03-8"}
{"Compound":"Heptanenitrile","CAS":"629-08-3","CAS.Checksum":true,"DTXSID":"DTXSID0021599","Formula":"C7H13N","All.Compound.Names":"Heptanenitrile|Dtxsid0021599","logHenry":-4.27,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.674,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.166,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.479,"logWSol.Reference":"EPA-CCD-OPERA","MP":-48.74,"MP.Reference":"EPA-CCD-OPERA","MW":111.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"629-08-3"}
{"Compound":"1,6-hexanediol","CAS":"629-11-8","CAS.Checksum":true,"DTXSID":"DTXSID1027265","Formula":"C6H14O2","All.Compound.Names":"1,6-hexanediol|Dtxsid1027265|629-11-8","logHenry":-7.089,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.088,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.366,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8641,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.91,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"629-11-8"}
{"Compound":"Ethylene glycol diethyl ether","CAS":"629-14-1","CAS.Checksum":true,"DTXSID":"DTXSID5025285","Formula":"C6H14O2","All.Compound.Names":"Ethylene glycol diethyl ether|Dtxsid5025285","logHenry":-4.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6603,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.355,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4579,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.22,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"629-14-1"}
{"Compound":"Dipropyl disulfide","CAS":"629-19-6","CAS.Checksum":true,"DTXSID":"DTXSID2022096","Formula":"C6H14S2","All.Compound.Names":"Dipropyl disulfide|Dtxsid2022096","logHenry":-2.419,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.486,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.516,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.09,"logWSol.Reference":"EPA-CCD-OPERA","MP":-84.43,"MP.Reference":"EPA-CCD-OPERA","MW":150.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"629-19-6"}
{"Compound":"Tridecane","CAS":"629-50-5","CAS.Checksum":true,"DTXSID":"DTXSID6027266","Formula":"C13H28","All.Compound.Names":"Tridecane|Dtxsid6027266","logHenry":-0.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.202,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3849,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.594,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.997,"MP.Reference":"EPA-CCD-OPERA","MW":184.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"629-50-5"}
{"Compound":"Tetradecane","CAS":"629-59-4","CAS.Checksum":true,"DTXSID":"DTXSID1027267","Formula":"C14H30","All.Compound.Names":"Tetradecane|Dtxsid1027267","logHenry":-1.733,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.599,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8949,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.874,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.558,"MP.Reference":"EPA-CCD-OPERA","MW":198.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"629-59-4"}
{"Compound":"Pentadecane","CAS":"629-62-9","CAS.Checksum":true,"DTXSID":"DTXSID6027268","Formula":"C15H32","All.Compound.Names":"Pentadecane|Dtxsid6027268","logHenry":-2.509,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.454,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1947,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-9.441,"logWSol.Reference":"EPA-CCD-OPERA","MP":10.14,"MP.Reference":"EPA-CCD-OPERA","MW":212.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"629-62-9"}
{"Compound":"Pentadecane,1-bromo-","CAS":"629-72-1","CAS.Checksum":true,"DTXSID":"DTXSID8049339","Formula":"C15H31Br","All.Compound.Names":"Pentadecane,1-bromo-|1-bromopentadecane|Dtxsid8049339","logHenry":-4.436,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.084,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2455,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.388,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.72,"MP.Reference":"EPA-CCD-OPERA","MW":291.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"629-72-1"}
{"Compound":"1-hexadecene","CAS":"629-73-2","CAS.Checksum":true,"DTXSID":"DTXSID1027269","Formula":"C16H32","All.Compound.Names":"1-hexadecene|Dtxsid1027269","logHenry":-2.889,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.929,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4745,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.469,"logWSol.Reference":"EPA-CCD-OPERA","MP":4.257,"MP.Reference":"EPA-CCD-OPERA","MW":224.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"629-73-2"}
{"Compound":"1-pentadecanol","CAS":"629-76-5","CAS.Checksum":true,"DTXSID":"DTXSID0027270","Formula":"C15H32O","All.Compound.Names":"1-pentadecanol|Dtxsid0027270|629-76-5","logHenry":-4.675,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.329,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.804,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.347,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.29,"MP.Reference":"EPA-CCD-OPERA","MW":228.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"629-76-5"}
{"Compound":"Heptadecane","CAS":"629-78-7","CAS.Checksum":true,"DTXSID":"DTXSID7047061","Formula":"C17H36","All.Compound.Names":"Heptadecane|Dtxsid7047061","logHenry":-4.212,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.475,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.06086,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.252,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.18,"MP.Reference":"EPA-CCD-OPERA","MW":240.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"629-78-7"}
{"Compound":"Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate","CAS":"6290-17-1","CAS.Checksum":true,"DTXSID":"DTXSID4047549","Formula":"C9H16O4","All.Compound.Names":"Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate|Dtxsid4047549","logHenry":-4.684,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8425,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.218,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4956,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.03,"MP.Reference":"EPA-CCD-OPERA","MW":188.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6290-17-1"}
{"Compound":"2-phenylethyl hexanoate","CAS":"6290-37-5","CAS.Checksum":true,"DTXSID":"DTXSID5047584","Formula":"C14H20O2","All.Compound.Names":"2-phenylethyl hexanoate|Dtxsid5047584","logHenry":-5.098,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.638,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.781,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.042,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.51,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6290-37-5"}
{"Compound":"1,3-benzodioxole-5-ethanamine, alpha-methyl-, hydrochloride (1:1)","CAS":"6292-91-7","CAS.Checksum":true,"DTXSID":"DTXSID1049017","Formula":"C10H14ClNO2","All.Compound.Names":"1,3-benzodioxole-5-ethanamine, alpha-methyl-, hydrochloride (1:1)|Tenamfetamine hydrochloride|Dtxsid1049017|6292-91-7","logHenry":-9.15,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9951,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.52,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.828,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.4,"MP.Reference":"EPA-CCD-OPERA","MW":215.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6292-91-7"}
{"Compound":"Methyl carbazate","CAS":"6294-89-9","CAS.Checksum":true,"DTXSID":"DTXSID3020835","Formula":"C2H6N2O2","All.Compound.Names":"Methyl carbazate|Dtxsid3020835|6294-89-9","logHenry":-7.374,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.842,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.303,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3723,"logWSol.Reference":"EPA-CCD-OPERA","MP":73,"MP.Reference":"EPA-CCD-OPERA","MW":90.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6294-89-9"}
{"Compound":"Benzquinamide","CAS":"63-12-7","CAS.Checksum":true,"DTXSID":"DTXSID9022657","Formula":"C22H32N2O5","All.Compound.Names":"Benzquinamide|63-12-7|Dtxsid9022657","logHenry":-8.477,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6929,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.01,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.948,"logWSol.Reference":"EPA-CCD-OPERA","MP":131,"MP.Reference":"EPA-CCD-OPERA","MW":404.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.36,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"63-12-7"}
{"Compound":"Lactose","CAS":"63-42-3","CAS.Checksum":true,"DTXSID":"DTXSID2023193","Formula":"C12H22O11","All.Compound.Names":"Lactose|Dtxsid2023193|63-42-3","logHenry":-10.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.262,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.83,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2343,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.1,"MP.Reference":"EPA-CCD-OPERA","MW":342.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63-42-3"}
{"Compound":"Primaquine diphosphate","CAS":"63-45-6","CAS.Checksum":true,"DTXSID":"DTXSID6045248","Formula":"C15H27N3O9P2","All.Compound.Names":"Primaquine diphosphate|Dtxsid6045248|63-45-6","logHenry":-8.498,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2429,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.923,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.068,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.7,"MP.Reference":"EPA-CCD-OPERA","MW":455.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.69","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"13.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63-45-6"}
{"Compound":"Thonzylamine hydrochloride","CAS":"63-56-9","CAS.Checksum":true,"DTXSID":"DTXSID8026147","Formula":"C16H23ClN4O","All.Compound.Names":"Thonzylamine hydrochloride|Dtxsid8026147|63-56-9","logHenry":-5.211,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4876,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.368,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.237,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.5,"MP.Reference":"EPA-CCD-OPERA","MW":322.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63-56-9"}
{"Compound":"Sulfanilamide","CAS":"63-74-1","CAS.Checksum":true,"DTXSID":"DTXSID4023622","Formula":"C6H8N2O2S","All.Compound.Names":"Sulfanilamide|Dtxsid4023622|63-74-1","logHenry":-10.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6149,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.463,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.359,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.5,"MP.Reference":"EPA-CCD-OPERA","MW":172.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"13.2,5.85,29.7","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"63-74-1"}
{"Compound":"Arecoline","CAS":"63-75-2","CAS.Checksum":true,"DTXSID":"DTXSID3022617","Formula":"C8H13NO2","All.Compound.Names":"Arecoline|Dtxsid3022617|63-75-2","logHenry":-5.556,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3484,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.103,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8077,"logWSol.Reference":"EPA-CCD-OPERA","MP":7.241,"MP.Reference":"EPA-CCD-OPERA","MW":155.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63-75-2"}
{"Compound":"Colfosceril palmitate","CAS":"63-89-8","CAS.Checksum":true,"DTXSID":"DTXSID5046720","Formula":"C40H80NO8P","All.Compound.Names":"Colfosceril palmitate|Dtxsid5046720|63-89-8","logHenry":-6.331,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.341,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.332,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.367,"logWSol.Reference":"EPA-CCD-OPERA","MP":233.8,"MP.Reference":"EPA-CCD-OPERA","MW":734.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63-89-8"}
{"Compound":"Phenoxybenzamine hydrochloride","CAS":"63-92-3","CAS.Checksum":true,"DTXSID":"DTXSID0021127","Formula":"C18H23Cl2NO","All.Compound.Names":"Phenoxybenzamine hydrochloride|Dtxsid0021127|63-92-3","logHenry":-6.417,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8298,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.562,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.113,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.7,"MP.Reference":"EPA-CCD-OPERA","MW":340.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63-92-3"}
{"Compound":"Phenacemide","CAS":"63-98-9","CAS.Checksum":true,"DTXSID":"DTXSID6023442","Formula":"C9H10N2O2","All.Compound.Names":"Phenacemide|Dtxsid6023442|63-98-9","logHenry":-9.213,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8698,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.53,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.277,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.9,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63-98-9"}
{"Compound":"Selenourea","CAS":"630-10-4","CAS.Checksum":true,"DTXSID":"DTXSID4024303","Formula":"CH4N2Se","All.Compound.Names":"Selenourea|Dtxsid4024303|630-10-4","logHenry":-8.461,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.09889,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.622,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7172,"logWSol.Reference":"EPA-CCD-OPERA","MP":126,"MP.Reference":"EPA-CCD-OPERA","MW":123,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"630-10-4"}
{"Compound":"1,1,1,2-tetrabromoethane","CAS":"630-16-0","CAS.Checksum":true,"DTXSID":"DTXSID6026082","Formula":"C2H2Br4","All.Compound.Names":"1,1,1,2-tetrabromoethane|Dtxsid6026082","logHenry":-3.867,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.664,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.396,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.723,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.3209,"MP.Reference":"EPA-CCD-OPERA","MW":345.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"630-16-0"}
{"Compound":"1,1,1,2-tetrachloroethane","CAS":"630-20-6","CAS.Checksum":true,"DTXSID":"DTXSID2021317","Formula":"C2H2Cl4","All.Compound.Names":"1,1,1,2-tetrachloroethane|Dtxsid2021317","logHenry":-2.604,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.619,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.314,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.19,"logWSol.Reference":"EPA-CCD-OPERA","MP":-69.75,"MP.Reference":"EPA-CCD-OPERA","MW":167.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"630-20-6"}
{"Compound":"Ouabain","CAS":"630-60-4","CAS.Checksum":true,"DTXSID":"DTXSID0043765","Formula":"C29H44O12","All.Compound.Names":"Ouabain|630-60-4|Dtxsid0043765","logHenry":-10.68,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.998,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.58,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.589,"logWSol.Reference":"EPA-CCD-OPERA","MP":200,"MP.Reference":"EPA-CCD-OPERA","MW":584.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"630-60-4"}
{"Compound":"Diphenylhydantoin sodium","CAS":"630-93-3","CAS.Checksum":true,"DTXSID":"DTXSID2023775","Formula":"C15H11N2NaO2","All.Compound.Names":"Diphenylhydantoin sodium|Dtxsid2023775|630-93-3","logHenry":-9.202,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5714,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.756,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.97,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.5,"MP.Reference":"EPA-CCD-OPERA","MW":274.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"630-93-3"}
{"Compound":"7-methylbenzo(a)pyrene","CAS":"63041-77-0","CAS.Checksum":true,"DTXSID":"DTXSID7049340","Formula":"C21H14","All.Compound.Names":"7-methylbenzo(a)pyrene|Dtxsid7049340","logHenry":-5.636,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.791,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.038,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.35,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.4,"MP.Reference":"EPA-CCD-OPERA","MW":266.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63041-77-0"}
{"Compound":"(2,4-dichlorophenyl)acetonitrile","CAS":"6306-60-1","CAS.Checksum":true,"DTXSID":"DTXSID6041185","Formula":"C8H5Cl2N","All.Compound.Names":"(2,4-dichlorophenyl)acetonitrile|Dtxsid6041185","logHenry":-3.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.37,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.592,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.317,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.35,"MP.Reference":"EPA-CCD-OPERA","MW":186,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6306-60-1"}
{"Compound":"Terazosin hydrochloride","CAS":"63074-08-8","CAS.Checksum":true,"DTXSID":"DTXSID7045493","Formula":"C19H26ClN5O4","All.Compound.Names":"Terazosin hydrochloride|Dtxsid7045493|63074-08-8","logHenry":-10.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.151,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.101,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.239,"logWSol.Reference":"EPA-CCD-OPERA","MP":234.8,"MP.Reference":"EPA-CCD-OPERA","MW":423.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63074-08-8"}
{"Compound":"Glyclopyramide","CAS":"631-27-6","CAS.Checksum":true,"DTXSID":"DTXSID2048822","Formula":"C11H14ClN3O3S","All.Compound.Names":"Glyclopyramide|Dtxsid2048822|631-27-6","logHenry":-7.965,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.158,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.915,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.411,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.1,"MP.Reference":"EPA-CCD-OPERA","MW":303.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"631-27-6"}
{"Compound":"Dibromoacetic acid","CAS":"631-64-1","CAS.Checksum":true,"DTXSID":"DTXSID1023815","Formula":"C2H2Br2O2","All.Compound.Names":"Dibromoacetic acid|Dtxsid1023815|631-64-1","logHenry":-8.354,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.763,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.189,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9826,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.02,"MP.Reference":"EPA-CCD-OPERA","MW":217.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"631-64-1"}
{"Compound":"Acetonitrile, [ethyl(3-methylphenyl)amino]-","CAS":"63133-74-4","CAS.Checksum":true,"DTXSID":"DTXSID5028114","Formula":"C11H14N2","All.Compound.Names":"Acetonitrile, [ethyl(3-methylphenyl)amino]-|2-(ethyl(3-methylphenyl)amino)acetonitrile|Dtxsid5028114|63133-74-4","logHenry":-4.017,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.766,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.138,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.002,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.7,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63133-74-4"}
{"Compound":"2-chloro-4,6-dimethylaniline","CAS":"63133-82-4","CAS.Checksum":true,"DTXSID":"DTXSID9040714","Formula":"C8H10ClN","All.Compound.Names":"2-chloro-4,6-dimethylaniline|Dtxsid9040714|63133-82-4","logHenry":-6.769,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.188,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.257,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.913,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.98,"MP.Reference":"EPA-CCD-OPERA","MW":155.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63133-82-4"}
{"Compound":"Bps-mpe4","CAS":"63134-33-8","CAS.Checksum":true,"DTXSID":"DTXSID4058655","Formula":"C19H16O4S","All.Compound.Names":"Bps-mpe4|Dtxsid4058655|63134-33-8","logHenry":-6.609,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.951,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.559,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.115,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.9,"MP.Reference":"EPA-CCD-OPERA","MW":340.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63134-33-8"}
{"Compound":"Methylene bis(thiocyanate)","CAS":"6317-18-6","CAS.Checksum":true,"DTXSID":"DTXSID8025599","Formula":"C3H2N2S2","All.Compound.Names":"Methylene bis(thiocyanate)|Dtxsid8025599","logHenry":-6.972,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.137,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.918,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5025,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.9,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6317-18-6"}
{"Compound":"Noreximide","CAS":"6319-06-8","CAS.Checksum":true,"DTXSID":"DTXSID8046298","Formula":"C9H9NO2","All.Compound.Names":"Noreximide|Dtxsid8046298|6319-06-8","logHenry":-7.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.314,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.951,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.768,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.8,"MP.Reference":"EPA-CCD-OPERA","MW":163.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6319-06-8"}
{"Compound":"Rose bengal sodium","CAS":"632-69-9","CAS.Checksum":true,"DTXSID":"DTXSID4022814","Formula":"C20H2Cl4I4Na2O5","All.Compound.Names":"Rose bengal sodium|Acid red 94 disodium salt|Dtxsid4022814|632-69-9","logHenry":-6.51,"logHenry.Reference":"OPERA29","logP":3.94,"logP.Reference":"OPERA29","logWSol":-6.86,"logWSol.Reference":"OPERA29","MP":270,"MP.Reference":"OPERA29","MW":1018,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"632-69-9"}
{"Compound":"Tetrabromophthalic anhydride","CAS":"632-79-1","CAS.Checksum":true,"DTXSID":"DTXSID6026084","Formula":"C8Br4O3","All.Compound.Names":"Tetrabromophthalic anhydride|4,5,6,7-tetrabromo-1,3-isobenzofurandione|Dtxsid6026084","logHenry":-4.353,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.101,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.819,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.999,"logWSol.Reference":"EPA-CCD-OPERA","MP":274.9,"MP.Reference":"EPA-CCD-OPERA","MW":463.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"632-79-1"}
{"Compound":"C.i. basic violet 14","CAS":"632-99-5","CAS.Checksum":true,"DTXSID":"DTXSID6021246","Formula":"C20H20ClN3","All.Compound.Names":"C.i. basic violet 14|Dtxsid6021246|632-99-5","logHenry":-9.637,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8301,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.12,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.174,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.2,"MP.Reference":"EPA-CCD-OPERA","MW":337.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"632-99-5"}
{"Compound":"O-chlorothiophenol","CAS":"6320-03-2","CAS.Checksum":true,"DTXSID":"DTXSID2057788","Formula":"C6H5ClS","All.Compound.Names":"O-chlorothiophenol|Dtxsid2057788|6320-03-2","logHenry":-3.409,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.027,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.534,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.505,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.96,"MP.Reference":"EPA-CCD-OPERA","MW":144.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6320-03-2"}
{"Compound":"2,4,5-triethoxyacetophenone","CAS":"63213-29-6","CAS.Checksum":true,"DTXSID":"DTXSID8026220","Formula":"C14H20O4","All.Compound.Names":"2,4,5-triethoxyacetophenone|Dtxsid8026220","logHenry":-8.342,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.993,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.5,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.485,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.43,"MP.Reference":"EPA-CCD-OPERA","MW":252.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63213-29-6"}
{"Compound":"Etifenin","CAS":"63245-28-3","CAS.Checksum":true,"DTXSID":"DTXSID2045492","Formula":"C16H22N2O5","All.Compound.Names":"Etifenin|Dtxsid2045492|63245-28-3","logHenry":-10.64,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1682,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.124,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.892,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.6,"MP.Reference":"EPA-CCD-OPERA","MW":322.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63245-28-3"}
{"Compound":"Nuarimol","CAS":"63284-71-9","CAS.Checksum":true,"DTXSID":"DTXSID2042220","Formula":"C17H12ClFN2O","All.Compound.Names":"Nuarimol|Dtxsid2042220|63284-71-9","logHenry":-8.738,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.18,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.013,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.081,"logWSol.Reference":"EPA-CCD-OPERA","MP":126,"MP.Reference":"EPA-CCD-OPERA","MW":314.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63284-71-9"}
{"Compound":"Brilliant green","CAS":"633-03-4","CAS.Checksum":true,"DTXSID":"DTXSID1048700","Formula":"C27H34N2O4S","All.Compound.Names":"Brilliant green|Dtxsid1048700|633-03-4","logHenry":-5.531,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5792,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.11,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.789,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.9,"MP.Reference":"EPA-CCD-OPERA","MW":482.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"633-03-4"}
{"Compound":"Berberine chloride","CAS":"633-65-8","CAS.Checksum":true,"DTXSID":"DTXSID8024602","Formula":"C20H18ClNO4","All.Compound.Names":"Berberine chloride|Dtxsid8024602|633-65-8","logHenry":-8.547,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.707,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.633,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.885,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.3,"MP.Reference":"EPA-CCD-OPERA","MW":371.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"633-65-8"}
{"Compound":"C.i. acid orange 7","CAS":"633-96-5","CAS.Checksum":true,"DTXSID":"DTXSID0038881","Formula":"C16H11N2NaO4S","All.Compound.Names":"C.i. acid orange 7|Dtxsid0038881","logHenry":-7.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.604,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.688,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.76,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.9,"MP.Reference":"EPA-CCD-OPERA","MW":350.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"633-96-5"}
{"Compound":"5-(hydroxymethyl)-2-furoic acid","CAS":"6338-41-6","CAS.Checksum":true,"DTXSID":"DTXSID5033098","Formula":"C6H6O4","All.Compound.Names":"5-(hydroxymethyl)-2-furoic acid|Dtxsid5033098|6338-41-6","logHenry":-9.356,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3577,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.24,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.773,"logWSol.Reference":"EPA-CCD-OPERA","MP":167,"MP.Reference":"EPA-CCD-OPERA","MW":142.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6338-41-6"}
{"Compound":"1,2,3,5-tetrachlorobenzene","CAS":"634-90-2","CAS.Checksum":true,"DTXSID":"DTXSID1026089","Formula":"C6H2Cl4","All.Compound.Names":"1,2,3,5-tetrachlorobenzene|Dtxsid1026089","logHenry":-2.804,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.61,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9551,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.658,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.35,"MP.Reference":"EPA-CCD-OPERA","MW":215.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"634-90-2"}
{"Compound":"2,4,6-trichloroaniline","CAS":"634-93-5","CAS.Checksum":true,"DTXSID":"DTXSID6021379","Formula":"C6H4Cl3N","All.Compound.Names":"2,4,6-trichloroaniline|Dtxsid6021379|634-93-5","logHenry":-6.794,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.517,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.872,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.689,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.71,"MP.Reference":"EPA-CCD-OPERA","MW":196.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"634-93-5"}
{"Compound":"Trans-2-ethoxy-5-(1-propenyl)phenol","CAS":"63477-41-8","CAS.Checksum":true,"DTXSID":"DTXSID7047726","Formula":"C11H14O2","All.Compound.Names":"Trans-2-ethoxy-5-(1-propenyl)phenol|Dtxsid7047726|63477-41-8","logHenry":-6.594,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.895,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.56,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.309,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.5,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63477-41-8"}
{"Compound":"4-chloro-3-nitroaniline","CAS":"635-22-3","CAS.Checksum":true,"DTXSID":"DTXSID7052319","Formula":"C6H5ClN2O2","All.Compound.Names":"4-chloro-3-nitroaniline|Dtxsid7052319|635-22-3","logHenry":-7.173,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.064,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.651,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.533,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.2,"MP.Reference":"EPA-CCD-OPERA","MW":172.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"635-22-3"}
{"Compound":"Trimetozine","CAS":"635-41-6","CAS.Checksum":true,"DTXSID":"DTXSID8023713","Formula":"C14H19NO5","All.Compound.Names":"Trimetozine|Dtxsid8023713|635-41-6","logHenry":-7.681,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9538,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.914,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.149,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.9,"MP.Reference":"EPA-CCD-OPERA","MW":281.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"635-41-6"}
{"Compound":"Flutropium bromide","CAS":"63516-07-4","CAS.Checksum":true,"DTXSID":"DTXSID3048655","Formula":"C24H29BrFNO3","All.Compound.Names":"Flutropium bromide|Dtxsid3048655|63516-07-4","logHenry":-7.836,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.529,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.09,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.743,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.6,"MP.Reference":"EPA-CCD-OPERA","MW":478.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63516-07-4"}
{"Compound":"Adrafinil","CAS":"63547-13-7","CAS.Checksum":true,"DTXSID":"DTXSID4046498","Formula":"C15H15NO3S","All.Compound.Names":"Adrafinil|Dtxsid4046498|63547-13-7","logHenry":-9.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.35,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.02,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.749,"logWSol.Reference":"EPA-CCD-OPERA","MP":232.8,"MP.Reference":"EPA-CCD-OPERA","MW":289.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63547-13-7"}
{"Compound":"2-amino-4-chloro-5-nitrophenol","CAS":"6358-07-2","CAS.Checksum":true,"DTXSID":"DTXSID5024471","Formula":"C6H5ClN2O3","All.Compound.Names":"2-amino-4-chloro-5-nitrophenol|Dtxsid5024471|6358-07-2","logHenry":-8.232,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.062,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.871,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.941,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.1,"MP.Reference":"EPA-CCD-OPERA","MW":188.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6358-07-2"}
{"Compound":"2-amino-6-chloro-4-nitrophenol","CAS":"6358-09-4","CAS.Checksum":true,"DTXSID":"DTXSID9043855","Formula":"C6H5ClN2O3","All.Compound.Names":"2-amino-6-chloro-4-nitrophenol|Dtxsid9043855|6358-09-4","logHenry":-7.634,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.533,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.307,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.73,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.5,"MP.Reference":"EPA-CCD-OPERA","MW":188.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"133,59.1,300","Human.Caco2.Pab.Reference":"Obringer","Chemical.Class":"","_row":"6358-09-4"}
{"Compound":"C.i. solvent red 80","CAS":"6358-53-8","CAS.Checksum":true,"DTXSID":"DTXSID6024838","Formula":"C18H16N2O3","All.Compound.Names":"C.i. solvent red 80|Dtxsid6024838|6358-53-8","logHenry":-7.063,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.475,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.954,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.594,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.3,"MP.Reference":"EPA-CCD-OPERA","MW":308.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6358-53-8"}
{"Compound":"2,5-dimethoxy-4-chloroaniline","CAS":"6358-64-1","CAS.Checksum":true,"DTXSID":"DTXSID9040718","Formula":"C8H10ClNO2","All.Compound.Names":"2,5-dimethoxy-4-chloroaniline|Dtxsid9040718|6358-64-1","logHenry":-6.758,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.497,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.912,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.878,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.18,"MP.Reference":"EPA-CCD-OPERA","MW":187.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6358-64-1"}
{"Compound":"Foscarnet trisodium","CAS":"63585-09-1","CAS.Checksum":true,"DTXSID":"DTXSID6023078","Formula":"CNa3O5P","All.Compound.Names":"Foscarnet trisodium|63585-09-1|Dtxsid6023078","logHenry":-8.396,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.523,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.782,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2654,"logWSol.Reference":"EPA-CCD-OPERA","MP":130,"MP.Reference":"EPA-CCD-OPERA","MW":191.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Dog","Dog.Foral":0.1,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.131,"Human.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"63585-09-1"}
{"Compound":"Acid yellow 11","CAS":"6359-82-6","CAS.Checksum":true,"DTXSID":"DTXSID5047451","Formula":"C16H13N4NaO4S","All.Compound.Names":"Acid yellow 11|C.i. acid yellow 11, sodium salt|Dtxsid5047451|6359-82-6","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.838,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.114,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.312,"logWSol.Reference":"EPA-CCD-OPERA","MP":188,"MP.Reference":"EPA-CCD-OPERA","MW":380.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6359-82-6"}
{"Compound":"C.i. acid yellow 34, monosodium salt","CAS":"6359-90-6","CAS.Checksum":true,"DTXSID":"DTXSID0041646","Formula":"C16H12ClN4NaO4S","All.Compound.Names":"C.i. acid yellow 34, monosodium salt|Dtxsid0041646|6359-90-6","logHenry":-10.92,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.567,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.066,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.522,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.3,"MP.Reference":"EPA-CCD-OPERA","MW":414.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6359-90-6"}
{"Compound":"C.i. acid yellow 17, disodium salt","CAS":"6359-98-4","CAS.Checksum":true,"DTXSID":"DTXSID6041719","Formula":"C16H10Cl2N4Na2O7S2","All.Compound.Names":"C.i. acid yellow 17, disodium salt|Dtxsid6041719|6359-98-4","logHenry":-10.62,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.576,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.994,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.301,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.7,"MP.Reference":"EPA-CCD-OPERA","MW":551.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6359-98-4"}
{"Compound":"2-methylaniline hydrochloride","CAS":"636-21-5","CAS.Checksum":true,"DTXSID":"DTXSID7021364","Formula":"C7H10ClN","All.Compound.Names":"2-methylaniline hydrochloride|Dtxsid7021364|636-21-5","logHenry":-5.704,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9045,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.815,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8268,"logWSol.Reference":"EPA-CCD-OPERA","MP":215,"MP.Reference":"EPA-CCD-OPERA","MW":143.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"636-21-5"}
{"Compound":"5-methyl-2-thiouracil","CAS":"636-26-0","CAS.Checksum":true,"DTXSID":"DTXSID9025665","Formula":"C5H6N2OS","All.Compound.Names":"5-methyl-2-thiouracil|Dtxsid9025665|636-26-0","logHenry":-8.72,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3004,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.73,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.447,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.7,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"636-26-0"}
{"Compound":"Stallimycin","CAS":"636-47-5","CAS.Checksum":true,"DTXSID":"DTXSID9045637","Formula":"C22H27N9O4","All.Compound.Names":"Stallimycin|Dtxsid9045637|636-47-5","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.677,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.874,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.684,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.4,"MP.Reference":"EPA-CCD-OPERA","MW":481.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"636-47-5"}
{"Compound":"Clopamide","CAS":"636-54-4","CAS.Checksum":true,"DTXSID":"DTXSID1022847","Formula":"C14H20ClN3O3S","All.Compound.Names":"Clopamide|Dtxsid1022847|636-54-4","logHenry":-9.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2467,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.905,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.892,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.4,"MP.Reference":"EPA-CCD-OPERA","MW":345.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"636-54-4"}
{"Compound":"Indobufen","CAS":"63610-08-2","CAS.Checksum":true,"DTXSID":"DTXSID7057789","Formula":"C18H17NO3","All.Compound.Names":"Indobufen|63610-08-2|Dtxsid7057789","logHenry":-8.651,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.276,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.271,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.305,"logWSol.Reference":"EPA-CCD-OPERA","MP":183,"MP.Reference":"EPA-CCD-OPERA","MW":295.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"40.7,18.1,91.8","Human.Caco2.Pab.Reference":"Lanevskij","Human.Foral":0.85,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"63610-08-2"}
{"Compound":"Sodium 5-sulfoisophthalate","CAS":"6362-79-4","CAS.Checksum":true,"DTXSID":"DTXSID9029279","Formula":"C8H5NaO7S","All.Compound.Names":"Sodium 5-sulfoisophthalate|Dtxsid9029279|6362-79-4","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.588,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.92,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3396,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.2,"MP.Reference":"EPA-CCD-OPERA","MW":268.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6362-79-4"}
{"Compound":"Phenylarsine oxide","CAS":"637-03-6","CAS.Checksum":true,"DTXSID":"DTXSID5042249","Formula":"C6H5AsO","All.Compound.Names":"Phenylarsine oxide","MW":168,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"637-03-6"}
{"Compound":"Proguanil hydrochloride","CAS":"637-32-1","CAS.Checksum":true,"DTXSID":"DTXSID7047776","Formula":"C11H17Cl2N5","All.Compound.Names":"Proguanil hydrochloride|Dtxsid7047776|637-32-1","logHenry":-8.659,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1271,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.568,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.253,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.2,"MP.Reference":"EPA-CCD-OPERA","MW":290.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"637-32-1"}
{"Compound":"Pramoxine hydrochloride","CAS":"637-58-1","CAS.Checksum":true,"DTXSID":"DTXSID2047777","Formula":"C17H28ClNO3","All.Compound.Names":"Pramoxine hydrochloride|Dtxsid2047777|637-58-1","logHenry":-5.919,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4563,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.97,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.187,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.2,"MP.Reference":"EPA-CCD-OPERA","MW":329.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"637-58-1"}
{"Compound":"2-methyl-2-ethoxypropane","CAS":"637-92-3","CAS.Checksum":true,"DTXSID":"DTXSID0025604","Formula":"C6H14O","All.Compound.Names":"2-methyl-2-ethoxypropane|Ethyl t-butyl ether|Dtxsid0025604","logHenry":-2.783,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.479,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.66,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9337,"logWSol.Reference":"EPA-CCD-OPERA","MP":-93.85,"MP.Reference":"EPA-CCD-OPERA","MW":102.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.027","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.7626","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"4.712","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.4755","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"637-92-3"}
{"Compound":"Methyl 3,3-dimethylpent-4-enoate","CAS":"63721-05-1","CAS.Checksum":true,"DTXSID":"DTXSID9028120","Formula":"C8H14O2","All.Compound.Names":"Methyl 3,3-dimethylpent-4-enoate|Dtxsid9028120","logHenry":-3.405,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.714,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.288,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.079,"logWSol.Reference":"EPA-CCD-OPERA","MP":-63.89,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63721-05-1"}
{"Compound":"C.i. acid orange 3","CAS":"6373-74-6","CAS.Checksum":true,"DTXSID":"DTXSID1021081","Formula":"C18H13N4NaO7S","All.Compound.Names":"C.i. acid orange 3|Dtxsid1021081|6373-74-6","logHenry":-10.4,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.842,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.595,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.729,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.2,"MP.Reference":"EPA-CCD-OPERA","MW":452.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6373-74-6"}
{"Compound":"N-(2,5-dimethoxyphenyl)-3-oxobutanamide","CAS":"6375-27-5","CAS.Checksum":true,"DTXSID":"DTXSID8044709","Formula":"C12H15NO4","All.Compound.Names":"N-(2,5-dimethoxyphenyl)-3-oxobutanamide|Dtxsid8044709|6375-27-5","logHenry":-9.203,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.758,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.481,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.773,"logWSol.Reference":"EPA-CCD-OPERA","MP":115.8,"MP.Reference":"EPA-CCD-OPERA","MW":237.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6375-27-5"}
{"Compound":"N-(3-amino-4-methoxyphenyl)acetamide","CAS":"6375-47-9","CAS.Checksum":true,"DTXSID":"DTXSID2027620","Formula":"C9H12N2O2","All.Compound.Names":"N-(3-amino-4-methoxyphenyl)acetamide|3'-amino-4'-methoxyacetanilide|Dtxsid2027620|6375-47-9","logHenry":-9.106,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.453,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.695,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.011,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.6,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6375-47-9"}
{"Compound":"2,4,5-trichlorobenzenesulfonic acid","CAS":"6378-25-2","CAS.Checksum":true,"DTXSID":"DTXSID2045072","Formula":"C6H3Cl3O3S","All.Compound.Names":"2,4,5-trichlorobenzenesulfonic acid|Dtxsid2045072|6378-25-2","logHenry":-9.293,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.761,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4099,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.07,"MP.Reference":"EPA-CCD-OPERA","MW":261.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6378-25-2"}
{"Compound":"Hexyl hexanoate","CAS":"6378-65-0","CAS.Checksum":true,"DTXSID":"DTXSID3047552","Formula":"C12H24O2","All.Compound.Names":"Hexyl hexanoate|Dtxsid3047552","logHenry":-3.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.489,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.586,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.291,"logWSol.Reference":"EPA-CCD-OPERA","MP":-51.67,"MP.Reference":"EPA-CCD-OPERA","MW":200.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6378-65-0"}
{"Compound":"Carvacryl methyl ether","CAS":"6379-73-3","CAS.Checksum":true,"DTXSID":"DTXSID0047400","Formula":"C11H16O","All.Compound.Names":"Carvacryl methyl ether|5-isopropyl-2-methylanisole|Dtxsid0047400","logHenry":-3.984,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.45,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7778,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.836,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.28,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6379-73-3"}
{"Compound":"3-methylaniline hydrochloride","CAS":"638-03-9","CAS.Checksum":true,"DTXSID":"DTXSID2021363","Formula":"C7H10ClN","All.Compound.Names":"3-methylaniline hydrochloride|Dtxsid2021363|638-03-9","logHenry":-5.775,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9016,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.812,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.075,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.5,"MP.Reference":"EPA-CCD-OPERA","MW":143.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"638-03-9"}
{"Compound":"Ethyl 4-chloro-3-oxobutanoate","CAS":"638-07-3","CAS.Checksum":true,"DTXSID":"DTXSID4044454","Formula":"C6H9ClO3","All.Compound.Names":"Ethyl 4-chloro-3-oxobutanoate|Dtxsid4044454","logHenry":-5.967,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2538,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.19,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7498,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.014,"MP.Reference":"EPA-CCD-OPERA","MW":164.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"638-07-3"}
{"Compound":"Valeryl chloride","CAS":"638-29-9","CAS.Checksum":true,"DTXSID":"DTXSID2034091","Formula":"C5H9ClO","All.Compound.Names":"Valeryl chloride|Dtxsid2034091","logHenry":-4.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.254,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.232,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.423,"logWSol.Reference":"EPA-CCD-OPERA","MP":-109.7,"MP.Reference":"EPA-CCD-OPERA","MW":120.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"638-29-9"}
{"Compound":"Manganese(ii) acetate","CAS":"638-38-0","CAS.Checksum":true,"DTXSID":"DTXSID5027279","Formula":"C4H6MnO4","All.Compound.Names":"Manganese(ii) acetate|Dtxsid5027279|638-38-0","logHenry":-6.998,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.55,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.78,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":245.3,"MP.Reference":"EPA-CCD-OPERA","MW":173,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"638-38-0"}
{"Compound":"Hexane,1-iodo-","CAS":"638-45-9","CAS.Checksum":true,"DTXSID":"DTXSID2049341","Formula":"C6H13I","All.Compound.Names":"Hexane,1-iodo-|1-iodohexane|Dtxsid2049341","logHenry":-1.55,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.998,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.4407,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.265,"logWSol.Reference":"EPA-CCD-OPERA","MP":-73.86,"MP.Reference":"EPA-CCD-OPERA","MW":212.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"638-45-9"}
{"Compound":"Tridecanoic acid","CAS":"638-53-9","CAS.Checksum":true,"DTXSID":"DTXSID4021684","Formula":"C13H26O2","All.Compound.Names":"Tridecanoic acid|Dtxsid4021684|638-53-9","logHenry":-6.659,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.04,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.241,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.816,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.56,"MP.Reference":"EPA-CCD-OPERA","MW":214.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"638-53-9"}
{"Compound":"Octadecanenitrile","CAS":"638-65-3","CAS.Checksum":true,"DTXSID":"DTXSID4027280","Formula":"C18H35N","All.Compound.Names":"Octadecanenitrile|Dtxsid4027280","logHenry":-6.2,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.976,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5502,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.316,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.48,"MP.Reference":"EPA-CCD-OPERA","MW":265.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"638-65-3"}
{"Compound":"Desonide","CAS":"638-94-8","CAS.Checksum":true,"DTXSID":"DTXSID7046756","Formula":"C24H32O6","All.Compound.Names":"Desonide|Dtxsid7046756|638-94-8","logHenry":-10.25,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.689,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.826,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.493,"logWSol.Reference":"EPA-CCD-OPERA","MP":273.9,"MP.Reference":"EPA-CCD-OPERA","MW":416.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"638-94-8"}
{"Compound":"Sodium erythorbate (1:1)","CAS":"6381-77-7","CAS.Checksum":true,"DTXSID":"DTXSID5020570","Formula":"C6H7NaO6","All.Compound.Names":"Sodium erythorbate (1:1)|Sodium erythorbate|Dtxsid5020570|6381-77-7","logHenry":-9.073,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.164,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3165,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.7,"MP.Reference":"EPA-CCD-OPERA","MW":198.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6381-77-7"}
{"Compound":"Calcium saccharin hydrate","CAS":"6381-91-5","CAS.Checksum":true,"DTXSID":"DTXSID5047459","Formula":"C14H10CaN2O7S2","All.Compound.Names":"Calcium saccharin hydrate|Dtxsid5047459|6381-91-5","logHenry":-8.641,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.308,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.79,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.026,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.8,"MP.Reference":"EPA-CCD-OPERA","MW":422.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6381-91-5"}
{"Compound":"Diofenolan","CAS":"63837-33-2","CAS.Checksum":true,"DTXSID":"DTXSID2041884","Formula":"C18H20O4","All.Compound.Names":"Diofenolan|Dtxsid2041884","logHenry":-5.337,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.347,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.54,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.792,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.3,"MP.Reference":"EPA-CCD-OPERA","MW":300.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63837-33-2"}
{"Compound":"Indalpine hydrochloride","CAS":"63845-42-1","CAS.Checksum":true,"DTXSID":"DTXSID6048832","Formula":"C15H21ClN2","All.Compound.Names":"Indalpine hydrochloride|Dtxsid6048832|63845-42-1","logHenry":-6.604,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3869,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.969,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.867,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.5,"MP.Reference":"EPA-CCD-OPERA","MW":264.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63845-42-1"}
{"Compound":"Meclofenamate sodium","CAS":"6385-02-0","CAS.Checksum":true,"DTXSID":"DTXSID8045567","Formula":"C14H10Cl2NNaO2","All.Compound.Names":"Meclofenamate sodium|Sodium 2-((2,6-dichloro-3-methylphenyl)amino)benzoate|Dtxsid8045567|6385-02-0","logHenry":-9.771,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1592,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.155,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.152,"logWSol.Reference":"EPA-CCD-OPERA","MP":246.1,"MP.Reference":"EPA-CCD-OPERA","MW":318.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6385-02-0"}
{"Compound":"Sodium bithionolate","CAS":"6385-58-6","CAS.Checksum":true,"DTXSID":"DTXSID8021270","Formula":"C12H4Cl4Na2O2S","All.Compound.Names":"Sodium bithionolate|Dtxsid8021270|6385-58-6","logHenry":-8.828,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.814,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.432,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.949,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.6,"MP.Reference":"EPA-CCD-OPERA","MW":400,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6385-58-6"}
{"Compound":"Triphenyltin chloride","CAS":"639-58-7","CAS.Checksum":true,"DTXSID":"DTXSID2040733","Formula":"C18H15ClSn","All.Compound.Names":"Triphenyltin chloride","MW":385.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"639-58-7"}
{"Compound":"(+)-phenazocine hydrobromide","CAS":"63903-74-2","CAS.Checksum":true,"DTXSID":"DTXSID0048925","Formula":"C22H28BrNO","All.Compound.Names":"(+)-phenazocine hydrobromide|Dtxsid0048925|63903-74-2","logHenry":-7.179,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.885,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.598,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.9,"MP.Reference":"EPA-CCD-OPERA","MW":402.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63903-74-2"}
{"Compound":"Thiocyanoacetic acid sodium salt","CAS":"63906-52-5","CAS.Checksum":true,"DTXSID":"DTXSID6057790","Formula":"C3H2NNaO2S","All.Compound.Names":"Thiocyanoacetic acid sodium salt|Dtxsid6057790|63906-52-5","logHenry":-8.125,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.225,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.008,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1135,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.6,"MP.Reference":"EPA-CCD-OPERA","MW":139.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63906-52-5"}
{"Compound":"Artemisinin","CAS":"63968-64-9","CAS.Checksum":true,"DTXSID":"DTXSID2040652","Formula":"C15H22O5","All.Compound.Names":"Artemisinin|Dtxsid2040652","logHenry":-7.983,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.898,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.055,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.558,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.1,"MP.Reference":"EPA-CCD-OPERA","MW":282.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"30.2,13.4,68","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"63968-64-9"}
{"Compound":"Amodiaquin dihydrochloride dihydrate","CAS":"6398-98-7","CAS.Checksum":true,"DTXSID":"DTXSID3045568","Formula":"C20H28Cl3N3O3","All.Compound.Names":"Amodiaquin dihydrochloride dihydrate|Dtxsid3045568|6398-98-7","logHenry":-8.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.842,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.723,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.234,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.3,"MP.Reference":"EPA-CCD-OPERA","MW":464.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6398-98-7"}
{"Compound":"M-cumenyl methylcarbamate","CAS":"64-00-6","CAS.Checksum":true,"DTXSID":"DTXSID1040324","Formula":"C11H15NO2","All.Compound.Names":"M-cumenyl methylcarbamate|Dtxsid1040324|64-00-6","logHenry":-7.787,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.629,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.062,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.351,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.41,"MP.Reference":"EPA-CCD-OPERA","MW":193.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64-00-6"}
{"Compound":"Urea, phenyl-","CAS":"64-10-8","CAS.Checksum":true,"DTXSID":"DTXSID8042507","Formula":"C7H8N2O","All.Compound.Names":"Urea, phenyl-|1-phenylurea|Dtxsid8042507|64-10-8","logHenry":-7.957,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8308,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.243,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8994,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.1,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64-10-8"}
{"Compound":"Ethanol","CAS":"64-17-5","CAS.Checksum":true,"DTXSID":"DTXSID9020584","Formula":"C2H6O","All.Compound.Names":"Ethanol|64-17-5|Dtxsid9020584","logHenry":-5.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3097,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.555,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.258,"logWSol.Reference":"EPA-CCD-OPERA","MP":-114,"MP.Reference":"EPA-CCD-OPERA","MW":46.07,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"19.98","Human.Clint.Reference":"Linakis 2020","Human.Foral":0.8,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.9338","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"31.1","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.842","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"64-17-5"}
{"Compound":"Acetic acid","CAS":"64-19-7","CAS.Checksum":true,"DTXSID":"DTXSID5024394","Formula":"C2H4O2","All.Compound.Names":"Acetic acid|Dtxsid5024394|64-19-7","logHenry":-6.998,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1702,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.401,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.62,"MP.Reference":"EPA-CCD-OPERA","MW":60.05,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64-19-7"}
{"Compound":"1-(2-phenylethyl)-4-phenyl-4-acetoxypiperidine","CAS":"64-52-8","CAS.Checksum":true,"DTXSID":"DTXSID5048922","Formula":"C21H25NO2","All.Compound.Names":"1-(2-phenylethyl)-4-phenyl-4-acetoxypiperidine|Dtxsid5048922|64-52-8","logHenry":-6.99,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.295,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.355,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.055,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.03,"MP.Reference":"EPA-CCD-OPERA","MW":323.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64-52-8"}
{"Compound":"Mebutamate","CAS":"64-55-1","CAS.Checksum":true,"DTXSID":"DTXSID1023239","Formula":"C10H20N2O4","All.Compound.Names":"Mebutamate|Dtxsid1023239|64-55-1","logHenry":-9.11,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.485,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.708,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.365,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.07,"MP.Reference":"EPA-CCD-OPERA","MW":232.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64-55-1"}
{"Compound":"Bemegride","CAS":"64-65-3","CAS.Checksum":true,"DTXSID":"DTXSID0045250","Formula":"C8H13NO2","All.Compound.Names":"Bemegride|Dtxsid0045250|64-65-3","logHenry":-7.215,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8578,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.709,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.086,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.4,"MP.Reference":"EPA-CCD-OPERA","MW":155.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64-65-3"}
{"Compound":"Diethyl sulfate","CAS":"64-67-5","CAS.Checksum":true,"DTXSID":"DTXSID1024045","Formula":"C4H10O4S","All.Compound.Names":"Diethyl sulfate|Dtxsid1024045|Ethyl sulfate (et2so4)","logHenry":-6.734,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.138,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.702,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.34,"logWSol.Reference":"EPA-CCD-OPERA","MP":-23.93,"MP.Reference":"EPA-CCD-OPERA","MW":154.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64-67-5"}
{"Compound":"Chlortetracycline hydrochloride","CAS":"64-72-2","CAS.Checksum":true,"DTXSID":"DTXSID2045076","Formula":"C22H24Cl2N2O8","All.Compound.Names":"Chlortetracycline hydrochloride|Dtxsid2045076|64-72-2","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.335,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.796,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.891,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.5,"MP.Reference":"EPA-CCD-OPERA","MW":515.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64-72-2"}
{"Compound":"Demeclocycline hydrochloride","CAS":"64-73-3","CAS.Checksum":true,"DTXSID":"DTXSID0045252","Formula":"C21H22Cl2N2O8","All.Compound.Names":"Demeclocycline hydrochloride|Dtxsid0045252|64-73-3","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.032,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.49,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.504,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.9,"MP.Reference":"EPA-CCD-OPERA","MW":501.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64-73-3"}
{"Compound":"Tetracycline hydrochloride","CAS":"64-75-5","CAS.Checksum":true,"DTXSID":"DTXSID6021321","Formula":"C22H25ClN2O8","All.Compound.Names":"Tetracycline hydrochloride|Dtxsid6021321|64-75-5","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5688,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.02,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.023,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.5,"MP.Reference":"EPA-CCD-OPERA","MW":480.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64-75-5"}
{"Compound":"21-hydroxyprogesterone","CAS":"64-85-7","CAS.Checksum":true,"DTXSID":"DTXSID0045254","Formula":"C21H30O3","All.Compound.Names":"21-hydroxyprogesterone|Dtxsid0045254|64-85-7","logHenry":-8.1,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.882,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.802,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.551,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.7,"MP.Reference":"EPA-CCD-OPERA","MW":330.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64-85-7"}
{"Compound":"2-fluoroacetamide","CAS":"640-19-7","CAS.Checksum":true,"DTXSID":"DTXSID2034255","Formula":"C2H4FNO","All.Compound.Names":"2-fluoroacetamide|Dtxsid2034255|640-19-7","logHenry":-7.142,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.051,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.303,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.111,"logWSol.Reference":"EPA-CCD-OPERA","MP":107.9,"MP.Reference":"EPA-CCD-OPERA","MW":77.06,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"640-19-7"}
{"Compound":"D-valine","CAS":"640-68-6","CAS.Checksum":true,"DTXSID":"DTXSID0046064","Formula":"C5H11NO2","All.Compound.Names":"D-valine|Dtxsid0046064|640-68-6","logHenry":-6.278,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.257,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.438,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2441,"logWSol.Reference":"EPA-CCD-OPERA","MP":314.9,"MP.Reference":"EPA-CCD-OPERA","MW":117.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.86","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"640-68-6"}
{"Compound":"Dipivefrin hydrochloride","CAS":"64019-93-8","CAS.Checksum":true,"DTXSID":"DTXSID2045494","Formula":"C19H30ClNO5","All.Compound.Names":"Dipivefrin hydrochloride|Dtxsid2045494|64019-93-8","logHenry":-10.21,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4222,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.782,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.937,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.8,"MP.Reference":"EPA-CCD-OPERA","MW":387.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64019-93-8"}
{"Compound":"Ethacridine lactate hydrate","CAS":"6402-23-9","CAS.Checksum":true,"DTXSID":"DTXSID0046274","Formula":"C18H23N3O5","All.Compound.Names":"Ethacridine lactate hydrate|Dtxsid0046274|6402-23-9","logHenry":-9.566,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4017,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.701,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5833,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.8,"MP.Reference":"EPA-CCD-OPERA","MW":361.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6402-23-9"}
{"Compound":"1-(1,3-benzodioxol-5-yl)-n-methylpropan-2-amine hydrochloride","CAS":"64057-70-1","CAS.Checksum":true,"DTXSID":"DTXSID5048893","Formula":"C11H16ClNO2","All.Compound.Names":"1-(1,3-benzodioxol-5-yl)-n-methylpropan-2-amine hydrochloride|(+/-)-3,4-methylenedioxymethamphetamine hydrochloride|Dtxsid5048893|64057-70-1","logHenry":-8.937,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6339,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.21,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.937,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.4,"MP.Reference":"EPA-CCD-OPERA","MW":229.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64057-70-1"}
{"Compound":"2,6-dichloro-3-methylaniline","CAS":"64063-37-2","CAS.Checksum":true,"DTXSID":"DTXSID7044710","Formula":"C7H7Cl2N","All.Compound.Names":"2,6-dichloro-3-methylaniline|Dtxsid7044710|64063-37-2","logHenry":-6.291,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.16,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.569,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.993,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.96,"MP.Reference":"EPA-CCD-OPERA","MW":176,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64063-37-2"}
{"Compound":"4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone","CAS":"64091-91-4","CAS.Checksum":true,"DTXSID":"DTXSID3020881","Formula":"C10H13N3O2","All.Compound.Names":"4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone|4-(methylnitroso amino)-1-(3-pyridinyl)-1-butanone|Dtxsid3020881|64091-91-4","logHenry":-8.414,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.082,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.015,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8867,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.09,"MP.Reference":"EPA-CCD-OPERA","MW":207.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.538","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0.9647,0.9276,1","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"64091-91-4"}
{"Compound":"Sodium zomepirac","CAS":"64092-48-4","CAS.Checksum":true,"DTXSID":"DTXSID3033989","Formula":"C15H13ClNNaO3","All.Compound.Names":"Sodium zomepirac|Dtxsid3033989|64092-48-4","logHenry":-8.986,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.03773,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.31,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.145,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.7,"MP.Reference":"EPA-CCD-OPERA","MW":313.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64092-48-4"}
{"Compound":"2-aminoheptane sulfate","CAS":"6411-75-2","CAS.Checksum":true,"DTXSID":"DTXSID9045845","Formula":"C14H36N2O4S","All.Compound.Names":"2-aminoheptane sulfate|Dtxsid9045845|6411-75-2","logHenry":-4.636,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6021,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.317,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.403,"logWSol.Reference":"EPA-CCD-OPERA","MP":145,"MP.Reference":"EPA-CCD-OPERA","MW":328.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6411-75-2"}
{"Compound":"Aminotrimethylene phosphonic acid","CAS":"6419-19-8","CAS.Checksum":true,"DTXSID":"DTXSID2027624","Formula":"C3H12NO9P3","All.Compound.Names":"Aminotrimethylene phosphonic acid|Dtxsid2027624|6419-19-8","logHenry":-10.8,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.529,"logP.Reference":"EPA-CCD-OPERA","logPwa":13.05,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5238,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.3,"MP.Reference":"EPA-CCD-OPERA","MW":299,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6419-19-8"}
{"Compound":"Cloxacillin sodium","CAS":"642-78-4","CAS.Checksum":true,"DTXSID":"DTXSID4045551","Formula":"C19H17ClN3NaO5S","All.Compound.Names":"Cloxacillin sodium|Dtxsid4045551|642-78-4","logHenry":-11.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.157,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.485,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.502,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.7,"MP.Reference":"EPA-CCD-OPERA","MW":457.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"642-78-4"}
{"Compound":"Aceglatone","CAS":"642-83-1","CAS.Checksum":true,"DTXSID":"DTXSID0048848","Formula":"C10H10O8","All.Compound.Names":"Aceglatone|Dtxsid0048848","logHenry":-8.869,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3362,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.747,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.328,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.09,"MP.Reference":"EPA-CCD-OPERA","MW":258.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"642-83-1"}
{"Compound":"Esaprazole","CAS":"64204-55-3","CAS.Checksum":true,"DTXSID":"DTXSID0046147","Formula":"C12H23N3O","All.Compound.Names":"Esaprazole|Dtxsid0046147|64204-55-3","logHenry":-9.783,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8438,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.558,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.572,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.8,"MP.Reference":"EPA-CCD-OPERA","MW":225.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64204-55-3"}
{"Compound":"Oxiconazole nitrate","CAS":"64211-46-7","CAS.Checksum":true,"DTXSID":"DTXSID2045943","Formula":"C18H14Cl4N4O4","All.Compound.Names":"Oxiconazole nitrate|Dtxsid2045943|64211-46-7","logHenry":-7.969,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.066,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.63,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.654,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.5,"MP.Reference":"EPA-CCD-OPERA","MW":492.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64211-46-7"}
{"Compound":"Bis(2-ethylhexyl) terephthalate","CAS":"6422-86-2","CAS.Checksum":true,"DTXSID":"DTXSID7027625","Formula":"C24H38O4","All.Compound.Names":"Bis(2-ethylhexyl) terephthalate|Dtxsid7027625","logHenry":-6.589,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.551,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.135,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5,"logWSol.Reference":"EPA-CCD-OPERA","MP":-48.07,"MP.Reference":"EPA-CCD-OPERA","MW":390.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6422-86-2"}
{"Compound":"Atracurium besylate","CAS":"64228-81-5","CAS.Checksum":true,"DTXSID":"DTXSID6022630","Formula":"C65H82N2O18S2","All.Compound.Names":"Atracurium besylate|Dtxsid6022630|64228-81-5","logHenry":-7.927,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8005,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.87,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.933,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.4,"MP.Reference":"EPA-CCD-OPERA","MW":1243,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64228-81-5"}
{"Compound":"Cadralazine","CAS":"64241-34-5","CAS.Checksum":true,"DTXSID":"DTXSID4048725","Formula":"C12H21N5O3","All.Compound.Names":"Cadralazine|Dtxsid4048725|64241-34-5","logHenry":-9.609,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.046,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.189,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.848,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.4,"MP.Reference":"EPA-CCD-OPERA","MW":283.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.79","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64241-34-5"}
{"Compound":"4,4'-(oxydiethylene)bis(morpholine)","CAS":"6425-39-4","CAS.Checksum":true,"DTXSID":"DTXSID9042170","Formula":"C12H24N2O3","All.Compound.Names":"4,4'-(oxydiethylene)bis(morpholine)|4,4'-(oxydi-2,1-ethanediyl) bismorpholine|Dtxsid9042170|6425-39-4","logHenry":-5.656,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.01817,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.365,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7897,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.43,"MP.Reference":"EPA-CCD-OPERA","MW":244.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.573","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"1,0.9597,1","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"6425-39-4"}
{"Compound":"Cis-5-octen-1-ol","CAS":"64275-73-6","CAS.Checksum":true,"DTXSID":"DTXSID9047700","Formula":"C8H16O","All.Compound.Names":"Cis-5-octen-1-ol|(z)-5-octen-1-ol|Dtxsid9047700|64275-73-6","logHenry":-4.603,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.316,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.624,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.924,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.57,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64275-73-6"}
{"Compound":"2-isopropylaniline","CAS":"643-28-7","CAS.Checksum":true,"DTXSID":"DTXSID6052328","Formula":"C9H13N","All.Compound.Names":"2-isopropylaniline|Dtxsid6052328|643-28-7","logHenry":-5.672,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.123,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.215,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.018,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.09,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"643-28-7"}
{"Compound":"2,3-quinolinedicarboxylic acid","CAS":"643-38-9","CAS.Checksum":true,"DTXSID":"DTXSID9027281","Formula":"C11H7NO4","All.Compound.Names":"2,3-quinolinedicarboxylic acid|Dtxsid9027281|643-38-9","logHenry":-9.242,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.19,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.172,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.665,"logWSol.Reference":"EPA-CCD-OPERA","MP":256,"MP.Reference":"EPA-CCD-OPERA","MW":217.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"643-38-9"}
{"Compound":"1,2-benzenedicarboxaldehyde","CAS":"643-79-8","CAS.Checksum":true,"DTXSID":"DTXSID6032514","Formula":"C8H6O2","All.Compound.Names":"1,2-benzenedicarboxaldehyde|Dtxsid6032514","logHenry":-6.271,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9687,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.026,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.392,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.55,"MP.Reference":"EPA-CCD-OPERA","MW":134.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"643-79-8"}
{"Compound":"4,5-dichloro-2-octyl-3(2h)-isothiazolone","CAS":"64359-81-5","CAS.Checksum":true,"DTXSID":"DTXSID5032315","Formula":"C11H17Cl2NOS","All.Compound.Names":"4,5-dichloro-2-octyl-3(2h)-isothiazolone|Dtxsid5032315|64359-81-5","logHenry":-4.921,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.781,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.995,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.116,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.51,"MP.Reference":"EPA-CCD-OPERA","MW":282.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64359-81-5"}
{"Compound":"Cinflumide","CAS":"64379-93-7","CAS.Checksum":true,"DTXSID":"DTXSID9046154","Formula":"C12H12FNO","All.Compound.Names":"Cinflumide|Dtxsid9046154|64379-93-7","logHenry":-9.692,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.355,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.36,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.439,"logWSol.Reference":"EPA-CCD-OPERA","MP":113,"MP.Reference":"EPA-CCD-OPERA","MW":205.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64379-93-7"}
{"Compound":"4-phenyltoluene","CAS":"644-08-6","CAS.Checksum":true,"DTXSID":"DTXSID4047177","Formula":"C13H12","All.Compound.Names":"4-phenyltoluene|Dtxsid4047177","logHenry":-3.289,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.629,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.097,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.622,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.94,"MP.Reference":"EPA-CCD-OPERA","MW":168.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"644-08-6"}
{"Compound":"2-propylphenol","CAS":"644-35-9","CAS.Checksum":true,"DTXSID":"DTXSID9047702","Formula":"C9H12O","All.Compound.Names":"2-propylphenol|Dtxsid9047702|644-35-9","logHenry":-6.212,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.93,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.218,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.985,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.468,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"644-35-9"}
{"Compound":"Dimetilan","CAS":"644-64-4","CAS.Checksum":true,"DTXSID":"DTXSID2041880","Formula":"C10H16N4O3","All.Compound.Names":"Dimetilan|Dtxsid2041880|644-64-4","logHenry":-8.312,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3337,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.047,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.06792,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.56,"MP.Reference":"EPA-CCD-OPERA","MW":240.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"644-64-4"}
{"Compound":"Phenyl phosphorus dichloride","CAS":"644-97-3","CAS.Checksum":true,"DTXSID":"DTXSID4027282","Formula":"C6H5Cl2P","All.Compound.Names":"Phenyl phosphorus dichloride|Dtxsid4027282","logHenry":-4.071,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.824,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.482,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.04,"logWSol.Reference":"EPA-CCD-OPERA","MP":-50.85,"MP.Reference":"EPA-CCD-OPERA","MW":179,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"644-97-3"}
{"Compound":"1,3-dimethylol-5,5-dimethylhydantoin","CAS":"6440-58-0","CAS.Checksum":true,"DTXSID":"DTXSID8035217","Formula":"C7H12N2O4","All.Compound.Names":"1,3-dimethylol-5,5-dimethylhydantoin|Dtxsid8035217","logHenry":-8.552,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6886,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.875,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7958,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.9,"MP.Reference":"EPA-CCD-OPERA","MW":188.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6440-58-0"}
{"Compound":"Arsenobetaine","CAS":"64436-13-1","CAS.Checksum":true,"DTXSID":"DTXSID0052833","Formula":"C5H11AsO2","All.Compound.Names":"Arsenobetaine","MW":178.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64436-13-1"}
{"Compound":"Cefotaxime sodium","CAS":"64485-93-4","CAS.Checksum":true,"DTXSID":"DTXSID4046991","Formula":"C16H16N5NaO7S2","All.Compound.Names":"Cefotaxime sodium|Dtxsid4046991|64485-93-4","logHenry":-10.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2378,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.198,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.921,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.2,"MP.Reference":"EPA-CCD-OPERA","MW":477.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.34","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64485-93-4"}
{"Compound":"4-thiazoleacetic acid, 2-[(chloroacetyl)amino]-.-(methoxyimino)-, (z)-","CAS":"64486-18-6","CAS.Checksum":true,"DTXSID":"DTXSID1057791","Formula":"C8H8ClN3O4S","All.Compound.Names":"4-thiazoleacetic acid, 2-[(chloroacetyl)amino]-.-(methoxyimino)-, (z)-|(2z)-{2-[(chloroacetyl)amino]-1,3-thiazol-4-yl}(methoxyimino)acetic acid|Dtxsid1057791|64486-18-6","logHenry":-11.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6782,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.382,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.501,"logWSol.Reference":"EPA-CCD-OPERA","MP":201,"MP.Reference":"EPA-CCD-OPERA","MW":277.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64486-18-6"}
{"Compound":"Tolmetin sodium","CAS":"64490-92-2","CAS.Checksum":true,"DTXSID":"DTXSID5045594","Formula":"C15H18NNaO5","All.Compound.Names":"Tolmetin sodium|Tolmetin sodium dihydrate|Dtxsid5045594|64490-92-2","logHenry":-8.893,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9191,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.72,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.56,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.6,"MP.Reference":"EPA-CCD-OPERA","MW":315.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64490-92-2"}
{"Compound":"1-iodo-3-nitrobenzene","CAS":"645-00-1","CAS.Checksum":true,"DTXSID":"DTXSID5025449","Formula":"C6H4INO2","All.Compound.Names":"1-iodo-3-nitrobenzene|Dtxsid5025449","logHenry":-5.047,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.94,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.751,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.581,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.13,"MP.Reference":"EPA-CCD-OPERA","MW":249,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"645-00-1"}
{"Compound":"Hexamethylmelamine","CAS":"645-05-6","CAS.Checksum":true,"DTXSID":"DTXSID4022579","Formula":"C9H18N6","All.Compound.Names":"Hexamethylmelamine|Dtxsid4022579|645-05-6","logHenry":-6.557,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.729,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.215,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.362,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.9,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"645-05-6"}
{"Compound":"3-nitrobenzamide","CAS":"645-09-0","CAS.Checksum":true,"DTXSID":"DTXSID5025732","Formula":"C7H6N2O3","All.Compound.Names":"3-nitrobenzamide|Dtxsid5025732|645-09-0","logHenry":-8.248,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7676,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.759,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.463,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.8,"MP.Reference":"EPA-CCD-OPERA","MW":166.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"645-09-0"}
{"Compound":"L-histidine hydrochloride","CAS":"645-35-2","CAS.Checksum":true,"DTXSID":"DTXSID3020700","Formula":"C6H10ClN3O2","All.Compound.Names":"L-histidine hydrochloride|Dtxsid3020700|645-35-2","logHenry":-8.402,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.3,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.424,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5305,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.6,"MP.Reference":"EPA-CCD-OPERA","MW":191.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.1","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"1.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"645-35-2"}
{"Compound":"Cis-stilbene","CAS":"645-49-8","CAS.Checksum":true,"DTXSID":"DTXSID5026049","Formula":"C14H12","All.Compound.Names":"Cis-stilbene|Dtxsid5026049","logHenry":-3.893,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.808,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.453,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.784,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.11,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"645-49-8"}
{"Compound":"4-propylphenol","CAS":"645-56-7","CAS.Checksum":true,"DTXSID":"DTXSID9022100","Formula":"C9H12O","All.Compound.Names":"4-propylphenol|Dtxsid9022100|645-56-7","logHenry":-5.949,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.198,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.95,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.029,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.02,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"645-56-7"}
{"Compound":"2-ethyl-2-hexenal","CAS":"645-62-5","CAS.Checksum":true,"DTXSID":"DTXSID4025296","Formula":"C8H14O","All.Compound.Names":"2-ethyl-2-hexenal|Dtxsid4025296","logHenry":-4.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.317,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.205,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.328,"logWSol.Reference":"EPA-CCD-OPERA","MP":-23.29,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"645-62-5"}
{"Compound":"Sofalcone","CAS":"64506-49-6","CAS.Checksum":true,"DTXSID":"DTXSID5023586","Formula":"C27H30O6","All.Compound.Names":"Sofalcone|Dtxsid5023586|64506-49-6","logHenry":-7.416,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.309,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.931,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.104,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.4,"MP.Reference":"EPA-CCD-OPERA","MW":450.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64506-49-6"}
{"Compound":"Isomalt","CAS":"64519-82-0","CAS.Checksum":true,"DTXSID":"DTXSID8020753","Formula":"C12H24O11","All.Compound.Names":"Isomalt|Dtxsid8020753|64519-82-0","logHenry":-10.68,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.069,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.65,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6721,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.1,"MP.Reference":"EPA-CCD-OPERA","MW":344.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64519-82-0"}
{"Compound":"Oxprenolol hydrochloride","CAS":"6452-73-9","CAS.Checksum":true,"DTXSID":"DTXSID5021093","Formula":"C15H24ClNO3","All.Compound.Names":"Oxprenolol hydrochloride|Dtxsid5021093|6452-73-9","logHenry":-8.216,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3934,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.986,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.982,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.7,"MP.Reference":"EPA-CCD-OPERA","MW":301.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6452-73-9"}
{"Compound":"C.i. acid red 114","CAS":"6459-94-5","CAS.Checksum":true,"DTXSID":"DTXSID8021224","Formula":"C37H28N4Na2O10S3","All.Compound.Names":"C.i. acid red 114|Dtxsid8021224|6459-94-5","logHenry":-10.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.252,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.346,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.031,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.2,"MP.Reference":"EPA-CCD-OPERA","MW":830.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6459-94-5"}
{"Compound":"1,3-dioxolane","CAS":"646-06-0","CAS.Checksum":true,"DTXSID":"DTXSID4027284","Formula":"C3H6O2","All.Compound.Names":"1,3-dioxolane|Dtxsid4027284","logHenry":-4.609,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3701,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.073,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.129,"logWSol.Reference":"EPA-CCD-OPERA","MP":-94.97,"MP.Reference":"EPA-CCD-OPERA","MW":74.08,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"646-06-0"}
{"Compound":"1-nitrohexane","CAS":"646-14-0","CAS.Checksum":true,"DTXSID":"DTXSID3025758","Formula":"C6H13NO2","All.Compound.Names":"1-nitrohexane|Dtxsid3025758","logHenry":-4.811,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.696,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7835,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.122,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.9353,"MP.Reference":"EPA-CCD-OPERA","MW":131.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"646-14-0"}
{"Compound":"Gaboxadol","CAS":"64603-91-4","CAS.Checksum":true,"DTXSID":"DTXSID0045206","Formula":"C6H8N2O2","All.Compound.Names":"Gaboxadol|Dtxsid0045206|64603-91-4","logHenry":-7.932,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3559,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.121,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.0664,"logWSol.Reference":"EPA-CCD-OPERA","MP":172,"MP.Reference":"EPA-CCD-OPERA","MW":140.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64603-91-4"}
{"Compound":"Ibuprofen piconol","CAS":"64622-45-3","CAS.Checksum":true,"DTXSID":"DTXSID7023140","Formula":"C19H23NO2","All.Compound.Names":"Ibuprofen piconol|Dtxsid7023140|64622-45-3","logHenry":-7.081,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.226,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.231,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.94,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.81,"MP.Reference":"EPA-CCD-OPERA","MW":297.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64622-45-3"}
{"Compound":"Triflumuron","CAS":"64628-44-0","CAS.Checksum":true,"DTXSID":"DTXSID5034355","Formula":"C15H10ClF3N2O3","All.Compound.Names":"Triflumuron|Dtxsid5034355|64628-44-0","logHenry":-9.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.907,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.509,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.049,"logWSol.Reference":"EPA-CCD-OPERA","MP":195,"MP.Reference":"EPA-CCD-OPERA","MW":358.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64628-44-0"}
{"Compound":"1-methyl-3-octylimidazolium chloride","CAS":"64697-40-1","CAS.Checksum":true,"DTXSID":"DTXSID5047873","Formula":"C12H23ClN2","All.Compound.Names":"1-methyl-3-octylimidazolium chloride|Dtxsid5047873|64697-40-1","logHenry":-2.993,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.07348,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.334,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.679,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.7,"MP.Reference":"EPA-CCD-OPERA","MW":230.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64697-40-1"}
{"Compound":"3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol","CAS":"647-42-7","CAS.Checksum":true,"DTXSID":"DTXSID5044572","Formula":"C8H5F13O","All.Compound.Names":"3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol|6:2 fluorotelomer alcohol|2-(perfluorohexyl)ethanol|Dtxsid5044572|Fluorotelomer alcohol 6:2|647-42-7","logHenry":-9.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.573,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4768,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.319,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.64,"MP.Reference":"EPA-CCD-OPERA","MW":364.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"647-42-7"}
{"Compound":"Mesulergine","CAS":"64795-35-3","CAS.Checksum":true,"DTXSID":"DTXSID3046324","Formula":"C18H26N4O2S","All.Compound.Names":"Mesulergine|Dtxsid3046324|64795-35-3","logHenry":-7.052,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.085,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.58,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.589,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.7,"MP.Reference":"EPA-CCD-OPERA","MW":362.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64795-35-3"}
{"Compound":"Lobenzarit sodium","CAS":"64808-48-6","CAS.Checksum":true,"DTXSID":"DTXSID8048606","Formula":"C14H8ClNNa2O4","All.Compound.Names":"Lobenzarit sodium|Dtxsid8048606|64808-48-6","logHenry":-8.702,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8492,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.14,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.211,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.4,"MP.Reference":"EPA-CCD-OPERA","MW":335.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64808-48-6"}
{"Compound":"Ammonium nitrate","CAS":"6484-52-2","CAS.Checksum":true,"DTXSID":"DTXSID2029668","Formula":"H4N2O3","All.Compound.Names":"Ammonium nitrate","MW":80.04,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6484-52-2"}
{"Compound":"R-(-)-carvone","CAS":"6485-40-1","CAS.Checksum":true,"DTXSID":"DTXSID7041413","Formula":"C10H14O","All.Compound.Names":"R-(-)-carvone|Dtxsid7041413","logHenry":-3.483,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.362,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.695,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.059,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.782,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6485-40-1"}
{"Compound":"Butoconazole nitrate","CAS":"64872-77-1","CAS.Checksum":true,"DTXSID":"DTXSID6045452","Formula":"C19H18Cl3N3O3S","All.Compound.Names":"Butoconazole nitrate|Dtxsid6045452|64872-77-1","logHenry":-5.617,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.037,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.65,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.981,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.5,"MP.Reference":"EPA-CCD-OPERA","MW":474.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64872-77-1"}
{"Compound":"Urapidil hydrochloride","CAS":"64887-14-5","CAS.Checksum":true,"DTXSID":"DTXSID2045812","Formula":"C20H30ClN5O3","All.Compound.Names":"Urapidil hydrochloride|Dtxsid2045812|64887-14-5","logHenry":-7.444,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.617,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.437,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.6,"MP.Reference":"EPA-CCD-OPERA","MW":423.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64887-14-5"}
{"Compound":"Metampicillin sodium","CAS":"6489-61-8","CAS.Checksum":true,"DTXSID":"DTXSID6045872","Formula":"C17H18N3NaO4S","All.Compound.Names":"Metampicillin sodium|Dtxsid6045872|6489-61-8","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.725,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.739,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.618,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.2,"MP.Reference":"EPA-CCD-OPERA","MW":383.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6489-61-8"}
{"Compound":"Ave2865","CAS":"648917-13-9","CAS.Checksum":true,"DTXSID":"DTXSID5047376","Formula":"C20H17ClF3N3O4","All.Compound.Names":"Ave2865|Dtxsid5047376|648917-13-9","logHenry":-10.94,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.73,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.706,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.462,"logWSol.Reference":"EPA-CCD-OPERA","MP":224.5,"MP.Reference":"EPA-CCD-OPERA","MW":455.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"648917-13-9"}
{"Compound":"Chlorsulfuron","CAS":"64902-72-3","CAS.Checksum":true,"DTXSID":"DTXSID7023980","Formula":"C12H12ClN5O4S","All.Compound.Names":"Chlorsulfuron|Dtxsid7023980|64902-72-3","logHenry":-9.999,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.999,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.497,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.29,"logWSol.Reference":"EPA-CCD-OPERA","MP":176,"MP.Reference":"EPA-CCD-OPERA","MW":357.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64902-72-3"}
{"Compound":"Ethyl 2-oxo-4-phenylbutyrate","CAS":"64920-29-2","CAS.Checksum":true,"DTXSID":"DTXSID1057793","Formula":"C12H14O3","All.Compound.Names":"Ethyl 2-oxo-4-phenylbutyrate|Dtxsid1057793","logHenry":-7.548,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.887,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.179,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.842,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.08,"MP.Reference":"EPA-CCD-OPERA","MW":206.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64920-29-2"}
{"Compound":"Lisofylline","CAS":"6493-06-7","CAS.Checksum":true,"DTXSID":"DTXSID6046343","Formula":"C13H20N4O3","All.Compound.Names":"Lisofylline|(+/-)-lisofylline|Dtxsid6046343|6493-06-7","logHenry":-7.997,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6791,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.778,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6192,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.8,"MP.Reference":"EPA-CCD-OPERA","MW":280.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6493-06-7"}
{"Compound":"Moxalactam disodium","CAS":"64953-12-4","CAS.Checksum":true,"DTXSID":"DTXSID0045595","Formula":"C20H18N6Na2O9S","All.Compound.Names":"Moxalactam disodium|Dtxsid0045595|64953-12-4","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3803,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.106,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.641,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.5,"MP.Reference":"EPA-CCD-OPERA","MW":564.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64953-12-4"}
{"Compound":"Ethyl (2-formamido-1,3-thiazol-4-yl)glyoxylate","CAS":"64987-03-7","CAS.Checksum":true,"DTXSID":"DTXSID6057794","Formula":"C8H8N2O4S","All.Compound.Names":"Ethyl (2-formamido-1,3-thiazol-4-yl)glyoxylate|Dtxsid6057794|64987-03-7","logHenry":-9.875,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1294,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.09,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.309,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.9,"MP.Reference":"EPA-CCD-OPERA","MW":228.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64987-03-7"}
{"Compound":"Gallamine triethiodide","CAS":"65-29-2","CAS.Checksum":true,"DTXSID":"DTXSID5023089","Formula":"C30H60I3N3O3","All.Compound.Names":"Gallamine triethiodide|Dtxsid5023089|65-29-2","logHenry":-6.259,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.398,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.289,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.427,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.3,"MP.Reference":"EPA-CCD-OPERA","MW":891.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65-29-2"}
{"Compound":"Nicotine sulfate","CAS":"65-30-5","CAS.Checksum":true,"DTXSID":"DTXSID8021725","Formula":"C20H30N4O4S","All.Compound.Names":"Nicotine sulfate|Nicotine sulfate (2:1)|Dtxsid8021725|65-30-5","logHenry":-4.559,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4299,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.376,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7891,"logWSol.Reference":"EPA-CCD-OPERA","MP":152,"MP.Reference":"EPA-CCD-OPERA","MW":422.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65-30-5"}
{"Compound":"Salicylamide","CAS":"65-45-2","CAS.Checksum":true,"DTXSID":"DTXSID3021726","Formula":"C7H7NO2","All.Compound.Names":"Salicylamide|Dtxsid3021726","logHenry":-7.953,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.278,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.562,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.817,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.1,"MP.Reference":"EPA-CCD-OPERA","MW":137.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65-45-2"}
{"Compound":"Thymine","CAS":"65-71-4","CAS.Checksum":true,"DTXSID":"DTXSID4052342","Formula":"C5H6N2O2","All.Compound.Names":"Thymine|Dtxsid4052342|65-71-4","logHenry":-6.659,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6207,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.084,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.511,"logWSol.Reference":"EPA-CCD-OPERA","MP":315.9,"MP.Reference":"EPA-CCD-OPERA","MW":126.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.34","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65-71-4"}
{"Compound":"Orotic acid","CAS":"65-86-1","CAS.Checksum":true,"DTXSID":"DTXSID0025814","Formula":"C5H4N2O4","All.Compound.Names":"Orotic acid|Dtxsid0025814|65-86-1","logHenry":-8.641,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8301,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.953,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.933,"logWSol.Reference":"EPA-CCD-OPERA","MP":344.8,"MP.Reference":"EPA-CCD-OPERA","MW":156.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-3.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65-86-1"}
{"Compound":"Sodium trichloroacetate","CAS":"650-51-1","CAS.Checksum":true,"DTXSID":"DTXSID6034924","Formula":"C2Cl3NaO2","All.Compound.Names":"Sodium trichloroacetate|Dtxsid6034924|650-51-1","logHenry":-7.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.484,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.278,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3773,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.66,"MP.Reference":"EPA-CCD-OPERA","MW":185.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"650-51-1"}
{"Compound":"Bucillamine","CAS":"65002-17-7","CAS.Checksum":true,"DTXSID":"DTXSID2048587","Formula":"C7H13NO3S2","All.Compound.Names":"Bucillamine|Dtxsid2048587|65002-17-7","logHenry":-9.913,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.015,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.045,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.586,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.7,"MP.Reference":"EPA-CCD-OPERA","MW":223.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65002-17-7"}
{"Compound":"1-butyl-3-methylimidazolium iodide","CAS":"65039-05-6","CAS.Checksum":true,"DTXSID":"DTXSID7049342","Formula":"C8H15IN2","All.Compound.Names":"1-butyl-3-methylimidazolium iodide|Dtxsid7049342|65039-05-6","logHenry":-2.096,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.625,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.634,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.5,"MP.Reference":"EPA-CCD-OPERA","MW":266.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65039-05-6"}
{"Compound":"1-ethyl-3-methylmidazolium bromide","CAS":"65039-08-9","CAS.Checksum":true,"DTXSID":"DTXSID2049343","Formula":"C6H11BrN2","All.Compound.Names":"1-ethyl-3-methylmidazolium bromide|Dtxsid2049343|65039-08-9","logHenry":-2.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.385,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.531,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01646,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.3,"MP.Reference":"EPA-CCD-OPERA","MW":191.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65039-08-9"}
{"Compound":"1-ethyl-3-methylimidazolium chloride","CAS":"65039-09-0","CAS.Checksum":true,"DTXSID":"DTXSID1041180","Formula":"C6H11ClN2","All.Compound.Names":"1-ethyl-3-methylimidazolium chloride|Dtxsid1041180|65039-09-0","logHenry":-2.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.892,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.038,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01646,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.36,"MP.Reference":"EPA-CCD-OPERA","MW":146.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65039-09-0"}
{"Compound":"1-allyl-3-methylimidazolium chloride","CAS":"65039-10-3","CAS.Checksum":true,"DTXSID":"DTXSID3047928","Formula":"C7H11ClN2","All.Compound.Names":"1-allyl-3-methylimidazolium chloride|Dtxsid3047928|65039-10-3","logHenry":-2.046,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.855,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.161,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1949,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.35,"MP.Reference":"EPA-CCD-OPERA","MW":158.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65039-10-3"}
{"Compound":"3-chloro-4-fluorobenzoyl chloride","CAS":"65055-17-6","CAS.Checksum":true,"DTXSID":"DTXSID7049344","Formula":"C7H3Cl2FO","All.Compound.Names":"3-chloro-4-fluorobenzoyl chloride|Dtxsid7049344","logHenry":-6.951,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.702,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.864,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.892,"logWSol.Reference":"EPA-CCD-OPERA","MP":3.738,"MP.Reference":"EPA-CCD-OPERA","MW":193,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65055-17-6"}
{"Compound":"Nimorazole","CAS":"6506-37-2","CAS.Checksum":true,"DTXSID":"DTXSID1057795","Formula":"C9H14N4O3","All.Compound.Names":"Nimorazole|Dtxsid1057795|6506-37-2","logHenry":-6.574,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.06772,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.458,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.608,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.6,"MP.Reference":"EPA-CCD-OPERA","MW":226.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6506-37-2"}
{"Compound":"Sulfameter","CAS":"651-06-9","CAS.Checksum":true,"DTXSID":"DTXSID5023613","Formula":"C11H12N4O3S","All.Compound.Names":"Sulfameter|Dtxsid5023613|651-06-9","logHenry":-9.825,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4119,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.836,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.584,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.7,"MP.Reference":"EPA-CCD-OPERA","MW":280.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"651-06-9"}
{"Compound":"3,5,6-trichloro-2-pyridinol","CAS":"6515-38-4","CAS.Checksum":true,"DTXSID":"DTXSID7038317","Formula":"C5H2Cl3NO","All.Compound.Names":"3,5,6-trichloro-2-pyridinol|Dtxsid7038317|6515-38-4","logHenry":-6.538,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.209,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.566,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.389,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.8,"MP.Reference":"EPA-CCD-OPERA","MW":198.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6515-38-4"}
{"Compound":"Acephylline","CAS":"652-37-9","CAS.Checksum":true,"DTXSID":"DTXSID6057796","Formula":"C9H10N4O4","All.Compound.Names":"Acephylline|Acefylline|Dtxsid6057796|652-37-9","logHenry":-10.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4237,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.31,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7421,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.9,"MP.Reference":"EPA-CCD-OPERA","MW":238.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.22","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"652-37-9"}
{"Compound":"Isosorbide","CAS":"652-67-5","CAS.Checksum":true,"DTXSID":"DTXSID5046196","Formula":"C6H10O4","All.Compound.Names":"Isosorbide|Dtxsid5046196|652-67-5","logHenry":-6.698,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.127,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.723,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6963,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.23,"MP.Reference":"EPA-CCD-OPERA","MW":146.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"652-67-5"}
{"Compound":"Pentylparaben","CAS":"6521-29-5","CAS.Checksum":true,"DTXSID":"DTXSID9047887","Formula":"C12H16O3","All.Compound.Names":"Pentylparaben|Dtxsid9047887|6521-29-5","logHenry":-9.487,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.248,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.015,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.812,"logWSol.Reference":"EPA-CCD-OPERA","MP":83,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6521-29-5"}
{"Compound":"Scopolamine hydrobromide trihydrate","CAS":"6533-68-2","CAS.Checksum":true,"DTXSID":"DTXSID0021258","Formula":"C17H28BrNO7","All.Compound.Names":"Scopolamine hydrobromide trihydrate|Dtxsid0021258|6533-68-2","logHenry":-9.308,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7144,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.49,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4901,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.2,"MP.Reference":"EPA-CCD-OPERA","MW":438.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6533-68-2"}
{"Compound":"1-butyl-4-methylpyridinium bromide","CAS":"65350-59-6","CAS.Checksum":true,"DTXSID":"DTXSID2049345","Formula":"C10H16BrN","All.Compound.Names":"1-butyl-4-methylpyridinium bromide|Dtxsid2049345|65350-59-6","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.425,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.918,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":111.4,"MP.Reference":"EPA-CCD-OPERA","MW":230.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65350-59-6"}
{"Compound":"Ubenimex hydrochloride","CAS":"65391-42-6","CAS.Checksum":true,"DTXSID":"DTXSID0045759","Formula":"C16H25ClN2O4","All.Compound.Names":"Ubenimex hydrochloride|Bestatin hydrochloride|Dtxsid0045759|65391-42-6","logHenry":-10.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7598,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.16,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.87,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.3,"MP.Reference":"EPA-CCD-OPERA","MW":344.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65391-42-6"}
{"Compound":"(3z)-hex-3-en-1-yl salicylate","CAS":"65405-77-8","CAS.Checksum":true,"DTXSID":"DTXSID8037750","Formula":"C13H16O3","All.Compound.Names":"(3z)-hex-3-en-1-yl salicylate|Dtxsid8037750|(3z)-hexenyl salicylate|65405-77-8","logHenry":-8.218,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.834,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.358,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.205,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.28,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65405-77-8"}
{"Compound":"Trihexyltetradecylphosphonium bromide","CAS":"654057-97-3","CAS.Checksum":true,"DTXSID":"DTXSID0047953","Formula":"C32H68BrP","All.Compound.Names":"Trihexyltetradecylphosphonium bromide","logHenry":-6.139,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.09,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.588,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.049,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.2,"MP.Reference":"EPA-CCD-OPERA","MW":563.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"654057-97-3"}
{"Compound":"1,3-dimethylimidazolium dimethyl phosphate","CAS":"654058-04-5","CAS.Checksum":true,"DTXSID":"DTXSID3047970","Formula":"C7H15N2O4P","All.Compound.Names":"1,3-dimethylimidazolium dimethyl phosphate","MW":222.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"654058-04-5"}
{"Compound":"Maltol isobutyrate","CAS":"65416-14-0","CAS.Checksum":true,"DTXSID":"DTXSID4047703","Formula":"C10H12O4","All.Compound.Names":"Maltol isobutyrate|2-methyl-4-oxo-4h-pyran-3-yl isobutyrate|Dtxsid4047703","logHenry":-4.755,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.996,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.954,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.595,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.92,"MP.Reference":"EPA-CCD-OPERA","MW":196.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65416-14-0"}
{"Compound":"Naftifine hydrochloride","CAS":"65473-14-5","CAS.Checksum":true,"DTXSID":"DTXSID2045496","Formula":"C21H22ClN","All.Compound.Names":"Naftifine hydrochloride|Dtxsid2045496|65473-14-5","logHenry":-5.807,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7249,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.476,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.068,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.7,"MP.Reference":"EPA-CCD-OPERA","MW":323.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65473-14-5"}
{"Compound":"Chromonar hydrochloride","CAS":"655-35-6","CAS.Checksum":true,"DTXSID":"DTXSID2048749","Formula":"C20H28ClNO5","All.Compound.Names":"Chromonar hydrochloride|Dtxsid2048749|655-35-6","logHenry":-8.013,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4685,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.675,"logWSol.Reference":"EPA-CCD-OPERA","MP":107,"MP.Reference":"EPA-CCD-OPERA","MW":397.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"655-35-6"}
{"Compound":"Methyl 2-methyl-3-furyl disulfide","CAS":"65505-17-1","CAS.Checksum":true,"DTXSID":"DTXSID9047704","Formula":"C6H8OS2","All.Compound.Names":"Methyl 2-methyl-3-furyl disulfide|Dtxsid9047704|65505-17-1","logHenry":-5.102,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.91,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.343,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.709,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.31,"MP.Reference":"EPA-CCD-OPERA","MW":160.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65505-17-1"}
{"Compound":"Glafenine hydrochloride","CAS":"65513-72-6","CAS.Checksum":true,"DTXSID":"DTXSID7045497","Formula":"C19H18Cl2N2O4","All.Compound.Names":"Glafenine hydrochloride|Dtxsid7045497|65513-72-6","logHenry":-10.21,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4121,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.728,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9708,"logWSol.Reference":"EPA-CCD-OPERA","MP":179,"MP.Reference":"EPA-CCD-OPERA","MW":409.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.21","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65513-72-6"}
{"Compound":"1,3-diiminobenz(f)isoindoline","CAS":"65558-69-2","CAS.Checksum":true,"DTXSID":"DTXSID3032751","Formula":"C12H9N3","All.Compound.Names":"1,3-diiminobenz(f)isoindoline|Dtxsid3032751|65558-69-2","logHenry":-8.532,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.368,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.891,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.185,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.1,"MP.Reference":"EPA-CCD-OPERA","MW":195.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65558-69-2"}
{"Compound":"Lofemizole","CAS":"65571-68-8","CAS.Checksum":true,"DTXSID":"DTXSID1057797","Formula":"C10H9ClN2","All.Compound.Names":"Lofemizole|Dtxsid1057797|65571-68-8","logHenry":-7.253,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.744,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.172,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.148,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.6,"MP.Reference":"EPA-CCD-OPERA","MW":192.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.57","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65571-68-8"}
{"Compound":"4'-demethylepipodophyllotoxin","CAS":"6559-91-7","CAS.Checksum":true,"DTXSID":"DTXSID7048742","Formula":"C21H20O8","All.Compound.Names":"4'-demethylepipodophyllotoxin|Dtxsid7048742|6559-91-7","logHenry":-10.64,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.347,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.213,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.372,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.6,"MP.Reference":"EPA-CCD-OPERA","MW":400.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6559-91-7"}
{"Compound":"4-hydroxyphenyl retinamide","CAS":"65646-68-6","CAS.Checksum":true,"DTXSID":"DTXSID2032005","Formula":"C26H33NO2","All.Compound.Names":"4-hydroxyphenyl retinamide|Dtxsid2032005","logHenry":-6.675,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.937,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.66,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.591,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.7,"MP.Reference":"EPA-CCD-OPERA","MW":391.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65646-68-6"}
{"Compound":"Sodium 4-methylbenzenesulfonate","CAS":"657-84-1","CAS.Checksum":true,"DTXSID":"DTXSID9042415","Formula":"C7H7NaO3S","All.Compound.Names":"Sodium 4-methylbenzenesulfonate|Dtxsid9042415|657-84-1","logHenry":-7.872,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.539,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.25,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5553,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.02,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"657-84-1"}
{"Compound":"S-methoprene","CAS":"65733-16-6","CAS.Checksum":true,"DTXSID":"DTXSID1035783","Formula":"C19H34O3","All.Compound.Names":"S-methoprene|Dtxsid1035783","logHenry":-6.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.503,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.451,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.558,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.501,"MP.Reference":"EPA-CCD-OPERA","MW":310.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65733-16-6"}
{"Compound":"(7s)-hydroprene","CAS":"65733-18-8","CAS.Checksum":true,"DTXSID":"DTXSID6035784","Formula":"C17H30O2","All.Compound.Names":"(7s)-hydroprene|Dtxsid6035784","logHenry":-5.961,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.323,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.091,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.827,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.66,"MP.Reference":"EPA-CCD-OPERA","MW":266.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65733-18-8"}
{"Compound":"Oxapium iodide","CAS":"6577-41-9","CAS.Checksum":true,"DTXSID":"DTXSID6046925","Formula":"C22H34INO2","All.Compound.Names":"Oxapium iodide|Dtxsid6046925|6577-41-9","logHenry":-6.125,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6912,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.21,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.081,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.1,"MP.Reference":"EPA-CCD-OPERA","MW":471.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6577-41-9"}
{"Compound":"2,6-dichlorobenzenesulfonylchloride","CAS":"6579-54-0","CAS.Checksum":true,"DTXSID":"DTXSID7049346","Formula":"C6H3Cl3O2S","All.Compound.Names":"2,6-dichlorobenzenesulfonylchloride|Dtxsid7049346","logHenry":-4.966,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.844,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.871,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.033,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.59,"MP.Reference":"EPA-CCD-OPERA","MW":245.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6579-54-0"}
{"Compound":"Morniflumate","CAS":"65847-85-0","CAS.Checksum":true,"DTXSID":"DTXSID6057798","Formula":"C19H20F3N3O3","All.Compound.Names":"Morniflumate|Dtxsid6057798|65847-85-0","logHenry":-8.569,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.947,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.473,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.659,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.6,"MP.Reference":"EPA-CCD-OPERA","MW":395.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65847-85-0"}
{"Compound":"2-(2-butyl)-4,5-dimethyl-3-thiazoline","CAS":"65894-82-8","CAS.Checksum":true,"DTXSID":"DTXSID1047156","Formula":"C9H17NS","All.Compound.Names":"2-(2-butyl)-4,5-dimethyl-3-thiazoline|Dtxsid1047156|65894-82-8","logHenry":-3.328,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.398,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.192,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.649,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.23,"MP.Reference":"EPA-CCD-OPERA","MW":171.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65894-82-8"}
{"Compound":"Tioconazole","CAS":"65899-73-2","CAS.Checksum":true,"DTXSID":"DTXSID3046619","Formula":"C16H13Cl3N2OS","All.Compound.Names":"Tioconazole|Dtxsid3046619|65899-73-2","logHenry":-5.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.867,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.885,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.899,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.9,"MP.Reference":"EPA-CCD-OPERA","MW":387.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65899-73-2"}
{"Compound":"3-methylbutyl 3-methylbutanoate","CAS":"659-70-1","CAS.Checksum":true,"DTXSID":"DTXSID8044757","Formula":"C10H20O2","All.Compound.Names":"3-methylbutyl 3-methylbutanoate|Dtxsid8044757","logHenry":-3.255,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.769,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8195,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.273,"logWSol.Reference":"EPA-CCD-OPERA","MP":-72.56,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"659-70-1"}
{"Compound":"2-(3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-8-yloxy)ethyl prop-2-enoate","CAS":"65983-31-5","CAS.Checksum":true,"DTXSID":"DTXSID7044970","Formula":"C15H20O3","All.Compound.Names":"2-(3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-8-yloxy)ethyl prop-2-enoate|Dtxsid7044970","logHenry":-7.725,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.628,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.756,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.211,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.08,"MP.Reference":"EPA-CCD-OPERA","MW":248.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65983-31-5"}
{"Compound":"Uracil","CAS":"66-22-8","CAS.Checksum":true,"DTXSID":"DTXSID4021424","Formula":"C4H4N2O2","All.Compound.Names":"Uracil|Dtxsid4021424|66-22-8","logHenry":-6.698,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.069,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.766,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.487,"logWSol.Reference":"EPA-CCD-OPERA","MP":337.9,"MP.Reference":"EPA-CCD-OPERA","MW":112.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.54","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66-22-8"}
{"Compound":"Hexanal","CAS":"66-25-1","CAS.Checksum":true,"DTXSID":"DTXSID2021604","Formula":"C6H12O","All.Compound.Names":"Hexanal|Dtxsid2021604","logHenry":-3.674,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.778,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.377,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.283,"logWSol.Reference":"EPA-CCD-OPERA","MP":-56.09,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66-25-1"}
{"Compound":"Methyl methanesulfonate","CAS":"66-27-3","CAS.Checksum":true,"DTXSID":"DTXSID7020845","Formula":"C2H6O3S","All.Compound.Names":"Methyl methanesulfonate|Dtxsid7020845","logHenry":-3.586,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2026,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.986,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2456,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.01,"MP.Reference":"EPA-CCD-OPERA","MW":110.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66-27-3"}
{"Compound":"1,10-phenanthroline","CAS":"66-71-7","CAS.Checksum":true,"DTXSID":"DTXSID1025857","Formula":"C12H8N2","All.Compound.Names":"1,10-phenanthroline|Dtxsid1025857|66-71-7","logHenry":-4.013,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.786,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.597,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.865,"logWSol.Reference":"EPA-CCD-OPERA","MP":117.8,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66-71-7"}
{"Compound":"Pyridoxal","CAS":"66-72-8","CAS.Checksum":true,"DTXSID":"DTXSID4046020","Formula":"C8H9NO3","All.Compound.Names":"Pyridoxal|Dtxsid4046020|66-72-8","logHenry":-6.823,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2657,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.209,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4325,"logWSol.Reference":"EPA-CCD-OPERA","MP":165,"MP.Reference":"EPA-CCD-OPERA","MW":167.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.11","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66-72-8"}
{"Compound":"Uracil mustard","CAS":"66-75-1","CAS.Checksum":true,"DTXSID":"DTXSID8026270","Formula":"C8H11Cl2N3O2","All.Compound.Names":"Uracil mustard|Dtxsid8026270|66-75-1","logHenry":-8.352,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.00758,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.16,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.041,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.9,"MP.Reference":"EPA-CCD-OPERA","MW":252.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.76","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66-75-1"}
{"Compound":"Dicumarol","CAS":"66-76-2","CAS.Checksum":true,"DTXSID":"DTXSID8021729","Formula":"C19H12O6","All.Compound.Names":"Dicumarol|Dtxsid8021729","logHenry":-8.823,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.071,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.628,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.578,"logWSol.Reference":"EPA-CCD-OPERA","MP":289.4,"MP.Reference":"EPA-CCD-OPERA","MW":336.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66-76-2"}
{"Compound":"Diethylamine hydrochloride","CAS":"660-68-4","CAS.Checksum":true,"DTXSID":"DTXSID9044320","Formula":"C4H12ClN","All.Compound.Names":"Diethylamine hydrochloride|Dtxsid9044320|660-68-4","logHenry":-4.595,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.0542,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.814,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9746,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.4,"MP.Reference":"EPA-CCD-OPERA","MW":109.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"660-68-4"}
{"Compound":"1,6-hexanediol dimethacrylate","CAS":"6606-59-3","CAS.Checksum":true,"DTXSID":"DTXSID9044455","Formula":"C14H22O4","All.Compound.Names":"1,6-hexanediol dimethacrylate|Dtxsid9044455","logHenry":-5.691,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.398,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.059,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.886,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.09,"MP.Reference":"EPA-CCD-OPERA","MW":254.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6606-59-3"}
{"Compound":"Pencycuron","CAS":"66063-05-6","CAS.Checksum":true,"DTXSID":"DTXSID3042261","Formula":"C19H21ClN2O","All.Compound.Names":"Pencycuron|Dtxsid3042261|66063-05-6","logHenry":-11.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.816,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.556,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.038,"logWSol.Reference":"EPA-CCD-OPERA","MP":130,"MP.Reference":"EPA-CCD-OPERA","MW":328.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66063-05-6"}
{"Compound":"2,2',2''-[methanetriyltris(benzene-4,1-diyloxymethanediyl)]trioxirane","CAS":"66072-38-6","CAS.Checksum":true,"DTXSID":"DTXSID2044971","Formula":"C28H28O6","All.Compound.Names":"2,2',2''-[methanetriyltris(benzene-4,1-diyloxymethanediyl)]trioxirane|Dtxsid2044971","logHenry":-6.42,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.114,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.565,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.579,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.96,"MP.Reference":"EPA-CCD-OPERA","MW":460.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66072-38-6"}
{"Compound":"1-docosanol","CAS":"661-19-8","CAS.Checksum":true,"DTXSID":"DTXSID4027286","Formula":"C22H46O","All.Compound.Names":"1-docosanol|661-19-8|Dtxsid4027286","logHenry":-6.105,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.357,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.212,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.31,"MP.Reference":"EPA-CCD-OPERA","MW":326.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"661-19-8"}
{"Compound":"N-methylhydrazinecarbothioamide","CAS":"6610-29-3","CAS.Checksum":true,"DTXSID":"DTXSID7044390","Formula":"C2H7N3S","All.Compound.Names":"N-methylhydrazinecarbothioamide|Dtxsid7044390|6610-29-3","logHenry":-8.321,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.684,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.877,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.03804,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.7,"MP.Reference":"EPA-CCD-OPERA","MW":105.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6610-29-3"}
{"Compound":"Pergolide methanesulfonate","CAS":"66104-23-2","CAS.Checksum":true,"DTXSID":"DTXSID6040583","Formula":"C20H30N2O3S2","All.Compound.Names":"Pergolide methanesulfonate|Dtxsid6040583|66104-23-2","logHenry":-6.056,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3008,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.16,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.761,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.6,"MP.Reference":"EPA-CCD-OPERA","MW":410.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66104-23-2"}
{"Compound":"Proglumide","CAS":"6620-60-6","CAS.Checksum":true,"DTXSID":"DTXSID7023516","Formula":"C18H26N2O4","All.Compound.Names":"Proglumide|Dtxsid7023516|6620-60-6","logHenry":-10.37,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5651,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.89,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.642,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.5,"MP.Reference":"EPA-CCD-OPERA","MW":334.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6620-60-6"}
{"Compound":"Pentane-1,5-diyl dibenzoate","CAS":"6624-73-3","CAS.Checksum":true,"DTXSID":"DTXSID5047538","Formula":"C19H20O4","All.Compound.Names":"Pentane-1,5-diyl dibenzoate|Dtxsid5047538","logHenry":-7.465,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.065,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.882,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.828,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.68,"MP.Reference":"EPA-CCD-OPERA","MW":312.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6624-73-3"}
{"Compound":"Penconazole","CAS":"66246-88-6","CAS.Checksum":true,"DTXSID":"DTXSID8042260","Formula":"C13H15Cl2N3","All.Compound.Names":"Penconazole|Dtxsid8042260|66246-88-6","logHenry":-4.387,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.431,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.189,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.588,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.49,"MP.Reference":"EPA-CCD-OPERA","MW":284.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66246-88-6"}
{"Compound":"C.i. acid violet 12, disodium salt","CAS":"6625-46-3","CAS.Checksum":true,"DTXSID":"DTXSID6041715","Formula":"C19H15N3Na2O9S2","All.Compound.Names":"C.i. acid violet 12, disodium salt|Dtxsid6041715|6625-46-3","logHenry":-11.53,"logHenry.Reference":"OPERA29","logP":-1.19,"logP.Reference":"OPERA29","logWSol":-2.87,"logWSol.Reference":"OPERA29","MP":320,"MP.Reference":"OPERA29","MW":539.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6625-46-3"}
{"Compound":"Epicainide","CAS":"66304-03-8","CAS.Checksum":true,"DTXSID":"DTXSID1057799","Formula":"C21H26N2O2","All.Compound.Names":"Epicainide|Dtxsid1057799|66304-03-8","logHenry":-8.213,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.904,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.508,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.368,"logWSol.Reference":"EPA-CCD-OPERA","MP":127.1,"MP.Reference":"EPA-CCD-OPERA","MW":338.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.06","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66304-03-8"}
{"Compound":"Cefotiam hydrochloride","CAS":"66309-69-1","CAS.Checksum":true,"DTXSID":"DTXSID1045538","Formula":"C18H25Cl2N9O4S3","All.Compound.Names":"Cefotiam hydrochloride|Cefotiam dihydrochloride|Dtxsid1045538|66309-69-1","logHenry":-13.1,"logHenry.Reference":"OPERA29","logP":1.48,"logP.Reference":"OPERA29","logWSol":-3.56,"logWSol.Reference":"OPERA29","MP":209,"MP.Reference":"OPERA29","MW":598.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.38","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66309-69-1"}
{"Compound":"6-amino-1,3-dimethyl-5-nitroso- 2,4(1h,3h)-pyrimidinedione","CAS":"6632-68-4","CAS.Checksum":true,"DTXSID":"DTXSID8029280","Formula":"C6H8N4O3","All.Compound.Names":"6-amino-1,3-dimethyl-5-nitroso- 2,4(1h,3h)-pyrimidinedione|6-amino-1,3-dimethyl-5-nitrosouracil|Dtxsid8029280|6632-68-4","logHenry":-10.19,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1836,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.247,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8031,"logWSol.Reference":"EPA-CCD-OPERA","MP":243.5,"MP.Reference":"EPA-CCD-OPERA","MW":184.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6632-68-4"}
{"Compound":"3-pentanone, 1-(4-chlorophenyl)-4,4-dimethyl-","CAS":"66346-01-8","CAS.Checksum":true,"DTXSID":"DTXSID7028300","Formula":"C13H17ClO","All.Compound.Names":"3-pentanone, 1-(4-chlorophenyl)-4,4-dimethyl-|1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-one|Dtxsid7028300","logHenry":-4.689,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.871,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.68,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.5,"MP.Reference":"EPA-CCD-OPERA","MW":224.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66346-01-8"}
{"Compound":"Glycyclamide","CAS":"664-95-9","CAS.Checksum":true,"DTXSID":"DTXSID5046273","Formula":"C14H20N2O3S","All.Compound.Names":"Glycyclamide|Dtxsid5046273|664-95-9","logHenry":-9.812,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.898,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.343,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.207,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.9,"MP.Reference":"EPA-CCD-OPERA","MW":296.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"664-95-9"}
{"Compound":"1-(3-chlorophenyl)piperazine","CAS":"6640-24-0","CAS.Checksum":true,"DTXSID":"DTXSID9045138","Formula":"C10H13ClN2","All.Compound.Names":"1-(3-chlorophenyl)piperazine|Dtxsid9045138|6640-24-0","logHenry":-6.986,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.108,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.103,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.947,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.01,"MP.Reference":"EPA-CCD-OPERA","MW":196.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6640-24-0"}
{"Compound":"N-(alkyl c10-c16)-n,n-dimethylglycine betaine","CAS":"66455-29-6","CAS.Checksum":true,"DTXSID":"DTXSID1046978","All.Compound.Names":"N-(alkyl c10-c16)-n,n-dimethylglycine betaine|C12-14-alkyldimethyl betaines","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66455-29-6"}
{"Compound":"Adipic acid, polypropyleneglycol, laurate","CAS":"66456-53-9","CAS.Checksum":true,"DTXSID":"DTXSID6047527","All.Compound.Names":"Adipic acid, polypropyleneglycol, laurate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66456-53-9"}
{"Compound":"Propacetamol","CAS":"66532-85-2","CAS.Checksum":true,"DTXSID":"DTXSID3057800","Formula":"C14H20N2O3","All.Compound.Names":"Propacetamol|Dtxsid3057800|66532-85-2","logHenry":-9.239,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.134,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.483,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.911,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.8,"MP.Reference":"EPA-CCD-OPERA","MW":264.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66532-85-2"}
{"Compound":"Forskolin","CAS":"66575-29-9","CAS.Checksum":true,"DTXSID":"DTXSID8040484","Formula":"C22H34O7","All.Compound.Names":"Forskolin|Dtxsid8040484|66575-29-9","logHenry":-10.8,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.24,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.054,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.497,"logWSol.Reference":"EPA-CCD-OPERA","MP":218,"MP.Reference":"EPA-CCD-OPERA","MW":410.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66575-29-9"}
{"Compound":"Agaric acid","CAS":"666-99-9","CAS.Checksum":true,"DTXSID":"DTXSID2046705","Formula":"C22H40O7","All.Compound.Names":"Agaric acid|Dtxsid2046705|666-99-9","logHenry":-11.22,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.008,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.416,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.883,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.6,"MP.Reference":"EPA-CCD-OPERA","MW":416.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"666-99-9"}
{"Compound":"2,3-dimethoxy-5-sulphamoylbenzoic acid","CAS":"66644-80-2","CAS.Checksum":true,"DTXSID":"DTXSID8057801","Formula":"C9H11NO6S","All.Compound.Names":"2,3-dimethoxy-5-sulphamoylbenzoic acid|Dtxsid8057801|66644-80-2","logHenry":-9.804,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5759,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.562,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.797,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.6,"MP.Reference":"EPA-CCD-OPERA","MW":261.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66644-80-2"}
{"Compound":"Veralipride","CAS":"66644-81-3","CAS.Checksum":true,"DTXSID":"DTXSID6046268","Formula":"C17H25N3O5S","All.Compound.Names":"Veralipride|Dtxsid6046268|66644-81-3","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.471,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.96,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.945,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.8,"MP.Reference":"EPA-CCD-OPERA","MW":383.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66644-81-3"}
{"Compound":"Alclometasone dipropionate","CAS":"66734-13-2","CAS.Checksum":true,"DTXSID":"DTXSID6045535","Formula":"C28H37ClO7","All.Compound.Names":"Alclometasone dipropionate|Dtxsid6045535|66734-13-2","logHenry":-9.247,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.824,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.398,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.976,"logWSol.Reference":"EPA-CCD-OPERA","MP":249.6,"MP.Reference":"EPA-CCD-OPERA","MW":521,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66734-13-2"}
{"Compound":"1,8-diazabicyclo[5.4.0]undec-7-ene","CAS":"6674-22-2","CAS.Checksum":true,"DTXSID":"DTXSID2049424","Formula":"C9H16N2","All.Compound.Names":"1,8-diazabicyclo[5.4.0]undec-7-ene|Dtxsid2049424|6674-22-2","logHenry":-4.626,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.38,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6775,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.47,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6674-22-2"}
{"Compound":"Encainide hydrochloride","CAS":"66794-74-9","CAS.Checksum":true,"DTXSID":"DTXSID2049004","Formula":"C22H29ClN2O2","All.Compound.Names":"Encainide hydrochloride|Dtxsid2049004|66794-74-9","logHenry":-9.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.303,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.038,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.27,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.8,"MP.Reference":"EPA-CCD-OPERA","MW":388.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66794-74-9"}
{"Compound":"4,5-diphenylimidazole","CAS":"668-94-0","CAS.Checksum":true,"DTXSID":"DTXSID5045700","Formula":"C15H12N2","All.Compound.Names":"4,5-diphenylimidazole|Dtxsid5045700|668-94-0","logHenry":-7.157,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.156,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.57,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.778,"logWSol.Reference":"EPA-CCD-OPERA","MP":225.4,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"668-94-0"}
{"Compound":"Micronomicin sulfate","CAS":"66803-19-8","CAS.Checksum":true,"DTXSID":"DTXSID3048609","Formula":"C20H43N5O11S","All.Compound.Names":"Micronomicin sulfate|Dtxsid3048609|66803-19-8","logHenry":-10.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6559,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.916,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.697,"logWSol.Reference":"EPA-CCD-OPERA","MP":155,"MP.Reference":"EPA-CCD-OPERA","MW":561.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66803-19-8"}
{"Compound":"Irganox 1010","CAS":"6683-19-8","CAS.Checksum":true,"DTXSID":"DTXSID1027633","Formula":"C73H108O12","All.Compound.Names":"Irganox 1010","logHenry":-6.63,"logHenry.Reference":"OPERA29","logP":1.36,"logP.Reference":"OPERA29","logWSol":-7.04,"logWSol.Reference":"OPERA29","MP":187.8,"MP.Reference":"EPA-CCD-OPERA","MW":1178,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6683-19-8"}
{"Compound":"Halobetasol propionate","CAS":"66852-54-8","CAS.Checksum":true,"DTXSID":"DTXSID6046636","Formula":"C25H31ClF2O5","All.Compound.Names":"Halobetasol propionate|Dtxsid6046636|66852-54-8","logHenry":-10.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.603,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.708,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.568,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.5,"MP.Reference":"EPA-CCD-OPERA","MW":485,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66852-54-8"}
{"Compound":"Lidamidine","CAS":"66871-56-5","CAS.Checksum":true,"DTXSID":"DTXSID4049080","Formula":"C11H16N4O","All.Compound.Names":"Lidamidine|Dtxsid4049080|66871-56-5","logHenry":-8.683,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.436,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.199,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.199,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.3,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66871-56-5"}
{"Compound":"Talniflumate","CAS":"66898-62-2","CAS.Checksum":true,"DTXSID":"DTXSID3046740","Formula":"C21H13F3N2O4","All.Compound.Names":"Talniflumate|Dtxsid3046740|66898-62-2","logHenry":-10.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.466,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.825,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.786,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.5,"MP.Reference":"EPA-CCD-OPERA","MW":414.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66898-62-2"}
{"Compound":"Cp-863187","CAS":"668981-02-0","CAS.Checksum":true,"DTXSID":"DTXSID0047294","Formula":"C18H14F2N4O","All.Compound.Names":"Cp-863187|Dtxsid0047294|668981-02-0","logHenry":-6.652,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.647,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.046,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.093,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.8,"MP.Reference":"EPA-CCD-OPERA","MW":340.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"43,19.1,96.9","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"668981-02-0"}
{"Compound":"Ipratropium bromide hydrate","CAS":"66985-17-9","CAS.Checksum":true,"DTXSID":"DTXSID3045772","Formula":"C20H32BrNO4","All.Compound.Names":"Ipratropium bromide hydrate|Dtxsid3045772|66985-17-9","logHenry":-8.5,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6174,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.8,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.545,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.3,"MP.Reference":"EPA-CCD-OPERA","MW":430.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66985-17-9"}
{"Compound":"Thiamine hydrochloride","CAS":"67-03-8","CAS.Checksum":true,"DTXSID":"DTXSID0040622","Formula":"C12H18Cl2N4OS","All.Compound.Names":"Thiamine hydrochloride|Dtxsid0040622|67-03-8","logHenry":-9.029,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7878,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.22,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.5,"MP.Reference":"EPA-CCD-OPERA","MW":337.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67-03-8"}
{"Compound":"Thiamine disulfide","CAS":"67-16-3","CAS.Checksum":true,"DTXSID":"DTXSID6046890","Formula":"C24H34N8O4S2","All.Compound.Names":"Thiamine disulfide|Dtxsid6046890|67-16-3","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3118,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.222,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3,"logWSol.Reference":"EPA-CCD-OPERA","MP":177,"MP.Reference":"EPA-CCD-OPERA","MW":562.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67-16-3"}
{"Compound":"Nihydrazone","CAS":"67-28-7","CAS.Checksum":true,"DTXSID":"DTXSID1046398","Formula":"C7H7N3O4","All.Compound.Names":"Nihydrazone|Dtxsid1046398|67-28-7","logHenry":-7.577,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6343,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.61,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.597,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.3,"MP.Reference":"EPA-CCD-OPERA","MW":197.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67-28-7"}
{"Compound":"Tetrac","CAS":"67-30-1","CAS.Checksum":true,"DTXSID":"DTXSID5048186","Formula":"C14H8I4O4","All.Compound.Names":"Tetrac|Dtxsid5048186|67-30-1","logHenry":-5.911,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.571,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.01,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.543,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.2,"MP.Reference":"EPA-CCD-OPERA","MW":747.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67-30-1"}
{"Compound":"Egtazic acid","CAS":"67-42-5","CAS.Checksum":true,"DTXSID":"DTXSID2045151","Formula":"C14H24N2O10","All.Compound.Names":"Egtazic acid|Dtxsid2045151|67-42-5","logHenry":-10.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8101,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.198,"logWSol.Reference":"EPA-CCD-OPERA","MP":158,"MP.Reference":"EPA-CCD-OPERA","MW":380.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67-42-5"}
{"Compound":"Pentetic acid","CAS":"67-43-6","CAS.Checksum":true,"DTXSID":"DTXSID2023434","Formula":"C14H23N3O10","All.Compound.Names":"Pentetic acid|Dtxsid2023434|67-43-6","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.569,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.05,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.909,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.6,"MP.Reference":"EPA-CCD-OPERA","MW":393.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67-43-6"}
{"Compound":"Furazolidone","CAS":"67-45-8","CAS.Checksum":true,"DTXSID":"DTXSID4041997","Formula":"C8H7N3O5","All.Compound.Names":"Furazolidone|Dtxsid4041997|67-45-8","logHenry":-7.616,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.03721,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.941,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.748,"logWSol.Reference":"EPA-CCD-OPERA","MP":254.7,"MP.Reference":"EPA-CCD-OPERA","MW":225.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67-45-8"}
{"Compound":"5-(hydroxymethyl)-2-furfural","CAS":"67-47-0","CAS.Checksum":true,"DTXSID":"DTXSID3030428","Formula":"C6H6O3","All.Compound.Names":"5-(hydroxymethyl)-2-furfural|Dtxsid3030428|67-47-0","logHenry":-8.637,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.00684,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.753,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8448,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.66,"MP.Reference":"EPA-CCD-OPERA","MW":126.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67-47-0"}
{"Compound":"Choline chloride","CAS":"67-48-1","CAS.Checksum":true,"DTXSID":"DTXSID4020325","Formula":"C5H14ClNO","All.Compound.Names":"Choline chloride|2-hydroxy-n,n,n-trimethylethan-1-aminium chloride|Dtxsid4020325|67-48-1","logHenry":-4.743,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.037,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.112,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.667,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.7,"MP.Reference":"EPA-CCD-OPERA","MW":139.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67-48-1"}
{"Compound":"Barbituric acid","CAS":"67-52-7","CAS.Checksum":true,"DTXSID":"DTXSID8020129","Formula":"C4H4N2O3","All.Compound.Names":"Barbituric acid|Dtxsid8020129|67-52-7","logHenry":-8.479,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.469,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.576,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.447,"logWSol.Reference":"EPA-CCD-OPERA","MP":247.9,"MP.Reference":"EPA-CCD-OPERA","MW":128.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.603,0.119,3.06","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"67-52-7"}
{"Compound":"Methanol","CAS":"67-56-1","CAS.Checksum":true,"DTXSID":"DTXSID2021731","Formula":"CH4O","All.Compound.Names":"Methanol|Dtxsid2021731|67-56-1","logHenry":-5.341,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7687,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.631,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.514,"logWSol.Reference":"EPA-CCD-OPERA","MP":-97.57,"MP.Reference":"EPA-CCD-OPERA","MW":32.04,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"132,58.5,297","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"0.8866","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.9449","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"3.837","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.9505","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"67-56-1"}
{"Compound":"Isopropanol","CAS":"67-63-0","CAS.Checksum":true,"DTXSID":"DTXSID7020762","Formula":"C3H8O","All.Compound.Names":"Isopropanol|Dtxsid7020762|67-63-0","logHenry":-5.092,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.05195,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.425,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9545,"logWSol.Reference":"EPA-CCD-OPERA","MP":-89.64,"MP.Reference":"EPA-CCD-OPERA","MW":60.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.102","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.9214","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"5.972","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.6696","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"67-63-0"}
{"Compound":"Acetone","CAS":"67-64-1","CAS.Checksum":true,"DTXSID":"DTXSID8021482","Formula":"C3H6O","All.Compound.Names":"Acetone|Dtxsid8021482","logHenry":-4.452,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2375,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.565,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.232,"logWSol.Reference":"EPA-CCD-OPERA","MP":-96.24,"MP.Reference":"EPA-CCD-OPERA","MW":58.08,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67-64-1"}
{"Compound":"Chloroform","CAS":"67-66-3","CAS.Checksum":true,"DTXSID":"DTXSID1020306","Formula":"CHCl3","All.Compound.Names":"Chloroform|Dtxsid1020306","logHenry":-2.438,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.97,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7756,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.176,"logWSol.Reference":"EPA-CCD-OPERA","MP":-63.65,"MP.Reference":"EPA-CCD-OPERA","MW":119.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"46.47","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.5672","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"251.9","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.1762","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"67-66-3"}
{"Compound":"Dimethyl sulfoxide","CAS":"67-68-5","CAS.Checksum":true,"DTXSID":"DTXSID2021735","Formula":"C2H6OS","All.Compound.Names":"Dimethyl sulfoxide|Dtxsid2021735","logHenry":-8.815,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.348,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.174,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.106,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.52,"MP.Reference":"EPA-CCD-OPERA","MW":78.13,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67-68-5"}
{"Compound":"Dimethyl sulfone","CAS":"67-71-0","CAS.Checksum":true,"DTXSID":"DTXSID4043937","Formula":"C2H6O2S","All.Compound.Names":"Dimethyl sulfone|Dtxsid4043937","logHenry":-7.592,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.407,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.014,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.09,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.6,"MP.Reference":"EPA-CCD-OPERA","MW":94.13,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67-71-0"}
{"Compound":"Hexachloroethane","CAS":"67-72-1","CAS.Checksum":true,"DTXSID":"DTXSID7020689","Formula":"C2Cl6","All.Compound.Names":"Hexachloroethane|Dtxsid7020689","logHenry":-2.41,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.139,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3302,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.67,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.4,"MP.Reference":"EPA-CCD-OPERA","MW":236.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67-72-1"}
{"Compound":"Fluocinolone acetonide","CAS":"67-73-2","CAS.Checksum":true,"DTXSID":"DTXSID0040674","Formula":"C24H30F2O6","All.Compound.Names":"Fluocinolone acetonide|Dtxsid0040674|67-73-2","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.482,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.011,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.459,"logWSol.Reference":"EPA-CCD-OPERA","MP":265.5,"MP.Reference":"EPA-CCD-OPERA","MW":452.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67-73-2"}
{"Compound":"Triamcinolone diacetate","CAS":"67-78-7","CAS.Checksum":true,"DTXSID":"DTXSID0048713","Formula":"C25H31FO8","All.Compound.Names":"Triamcinolone diacetate|Dtxsid0048713|67-78-7","logHenry":-10.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.92,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.642,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.131,"logWSol.Reference":"EPA-CCD-OPERA","MP":235,"MP.Reference":"EPA-CCD-OPERA","MW":478.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67-78-7"}
{"Compound":"Dihydrotachysterol","CAS":"67-96-9","CAS.Checksum":true,"DTXSID":"DTXSID5022938","Formula":"C28H46O","All.Compound.Names":"Dihydrotachysterol|Dtxsid5022938|67-96-9","logHenry":-7.451,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.337,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.038,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.193,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.7,"MP.Reference":"EPA-CCD-OPERA","MW":398.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67-96-9"}
{"Compound":"Vitamin d3","CAS":"67-97-0","CAS.Checksum":true,"DTXSID":"DTXSID6026294","Formula":"C27H44O","All.Compound.Names":"Vitamin d3|Dtxsid6026294|67-97-0","logHenry":-7.489,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.372,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.013,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.766,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.83,"MP.Reference":"EPA-CCD-OPERA","MW":384.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67-97-0"}
{"Compound":"Tetracyanoethylene","CAS":"670-54-2","CAS.Checksum":true,"DTXSID":"DTXSID7049425","Formula":"C6N4","All.Compound.Names":"Tetracyanoethylene|Dtxsid7049425","logHenry":-9.602,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2066,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.997,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.855,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.9,"MP.Reference":"EPA-CCD-OPERA","MW":128.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"670-54-2"}
{"Compound":"Dextromethorphan hydrobromide monohydrate","CAS":"6700-34-1","CAS.Checksum":true,"DTXSID":"DTXSID8045569","Formula":"C18H28BrNO2","All.Compound.Names":"Dextromethorphan hydrobromide monohydrate|Dtxsid8045569|6700-34-1","logHenry":-5.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9949,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.729,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.99,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.6,"MP.Reference":"EPA-CCD-OPERA","MW":370.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6700-34-1"}
{"Compound":"1,10-decanediol dimethacrylate","CAS":"6701-13-9","CAS.Checksum":true,"DTXSID":"DTXSID7044972","Formula":"C18H30O4","All.Compound.Names":"1,10-decanediol dimethacrylate|Dtxsid7044972","logHenry":-6.634,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.055,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.583,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.477,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.436,"MP.Reference":"EPA-CCD-OPERA","MW":310.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6701-13-9"}
{"Compound":"Propan-2-yl 2-ethylhexanoate","CAS":"67024-46-8","CAS.Checksum":true,"DTXSID":"DTXSID2044973","Formula":"C11H22O2","All.Compound.Names":"Propan-2-yl 2-ethylhexanoate|Dtxsid2044973","logHenry":-3.365,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.212,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8664,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.752,"logWSol.Reference":"EPA-CCD-OPERA","MP":-53.74,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67024-46-8"}
{"Compound":"(4-methylphenoxy) acetic acid ethyl ester","CAS":"67028-40-4","CAS.Checksum":true,"DTXSID":"DTXSID8047428","Formula":"C11H14O3","All.Compound.Names":"(4-methylphenoxy) acetic acid ethyl ester|Dtxsid8047428","logHenry":-6.159,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.606,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.465,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.339,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.96,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67028-40-4"}
{"Compound":"L-glucitol","CAS":"6706-59-8","CAS.Checksum":true,"DTXSID":"DTXSID4042096","Formula":"C6H14O6","All.Compound.Names":"L-glucitol|Dtxsid4042096|6706-59-8","logHenry":-8.73,"logHenry.Reference":"OPERA29","logP":-2.38,"logP.Reference":"OPERA29","logWSol":0.52,"logWSol.Reference":"OPERA29","MP":168,"MP.Reference":"OPERA29","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6706-59-8"}
{"Compound":"12-oxahexadecanolide","CAS":"6707-60-4","CAS.Checksum":true,"DTXSID":"DTXSID4047705","Formula":"C15H28O3","All.Compound.Names":"12-oxahexadecanolide|Dtxsid4047705","logHenry":-7.739,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.242,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.622,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.362,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.97,"MP.Reference":"EPA-CCD-OPERA","MW":256.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6707-60-4"}
{"Compound":"Procarbazine","CAS":"671-16-9","CAS.Checksum":true,"DTXSID":"DTXSID4021189","Formula":"C12H19N3O","All.Compound.Names":"Procarbazine|Dtxsid4021189|671-16-9","logHenry":-8.656,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.0609,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.259,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.388,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.2,"MP.Reference":"EPA-CCD-OPERA","MW":221.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"671-16-9"}
{"Compound":"Clofenamide","CAS":"671-95-4","CAS.Checksum":true,"DTXSID":"DTXSID4046153","Formula":"C6H7ClN2O4S2","All.Compound.Names":"Clofenamide|Dtxsid4046153|671-95-4","logHenry":-9.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3871,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.455,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.464,"logWSol.Reference":"EPA-CCD-OPERA","MP":207,"MP.Reference":"EPA-CCD-OPERA","MW":270.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"671-95-4"}
{"Compound":"N'-[3-(dimethylamino)propyl]-n,n-dimethylpropane-1,3-diamine","CAS":"6711-48-4","CAS.Checksum":true,"DTXSID":"DTXSID7044974","Formula":"C10H25N3","All.Compound.Names":"N'-[3-(dimethylamino)propyl]-n,n-dimethylpropane-1,3-diamine|Dtxsid7044974|6711-48-4","logHenry":-5.398,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1988,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.515,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4155,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.27,"MP.Reference":"EPA-CCD-OPERA","MW":187.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6711-48-4"}
{"Compound":"Fluperlapine","CAS":"67121-76-0","CAS.Checksum":true,"DTXSID":"DTXSID2046123","Formula":"C19H20FN3","All.Compound.Names":"Fluperlapine|Dtxsid2046123|67121-76-0","logHenry":-8.124,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.627,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.275,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.014,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.2,"MP.Reference":"EPA-CCD-OPERA","MW":309.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"12.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67121-76-0"}
{"Compound":"1-{bis[3-(dimethylamino)propyl]amino}propan-2-ol","CAS":"67151-63-7","CAS.Checksum":true,"DTXSID":"DTXSID2044975","Formula":"C13H31N3O","All.Compound.Names":"1-{bis[3-(dimethylamino)propyl]amino}propan-2-ol|Dtxsid2044975|67151-63-7","logHenry":-6.196,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.522,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.658,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.47,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.08,"MP.Reference":"EPA-CCD-OPERA","MW":245.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67151-63-7"}
{"Compound":"Daniquidone","CAS":"67199-66-0","CAS.Checksum":true,"DTXSID":"DTXSID3057802","Formula":"C15H11N3O","All.Compound.Names":"Daniquidone|Dtxsid3057802|67199-66-0","logHenry":-10.06,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8106,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.44,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.414,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.9,"MP.Reference":"EPA-CCD-OPERA","MW":249.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67199-66-0"}
{"Compound":"Metyrosine","CAS":"672-87-7","CAS.Checksum":true,"DTXSID":"DTXSID6023315","Formula":"C10H13NO3","All.Compound.Names":"Metyrosine|Dtxsid6023315|672-87-7","logHenry":-8.421,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.885,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.2,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.088,"logWSol.Reference":"EPA-CCD-OPERA","MP":312.3,"MP.Reference":"EPA-CCD-OPERA","MW":195.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"672-87-7"}
{"Compound":"Sodium 2-methoxy-5-nitrophenolate","CAS":"67233-85-6","CAS.Checksum":true,"DTXSID":"DTXSID0035790","Formula":"C7H6NNaO4","All.Compound.Names":"Sodium 2-methoxy-5-nitrophenolate|Dtxsid0035790|67233-85-6","logHenry":-7.193,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.05392,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.534,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.019,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.1,"MP.Reference":"EPA-CCD-OPERA","MW":191.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67233-85-6"}
{"Compound":"Perhexiline maleate","CAS":"6724-53-4","CAS.Checksum":true,"DTXSID":"DTXSID1021114","Formula":"C23H39NO4","All.Compound.Names":"Perhexiline maleate|Dtxsid1021114|6724-53-4","logHenry":-4.698,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6811,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.986,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.888,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.8,"MP.Reference":"EPA-CCD-OPERA","MW":393.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.11","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6724-53-4"}
{"Compound":"Giparmen","CAS":"67268-43-3","CAS.Checksum":true,"DTXSID":"DTXSID3045699","Formula":"C13H10O3","All.Compound.Names":"Giparmen|Dtxsid3045699","logHenry":-7.682,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.386,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.06,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.992,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.7,"MP.Reference":"EPA-CCD-OPERA","MW":214.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67268-43-3"}
{"Compound":"(2e)-2-hexenal","CAS":"6728-26-3","CAS.Checksum":true,"DTXSID":"DTXSID1041425","Formula":"C6H10O","All.Compound.Names":"(2e)-2-hexenal|Dtxsid1041425","logHenry":-4.309,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.101,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.551,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.018,"logWSol.Reference":"EPA-CCD-OPERA","MP":-50.82,"MP.Reference":"EPA-CCD-OPERA","MW":98.14,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6728-26-3"}
{"Compound":"Phenprobamate","CAS":"673-31-4","CAS.Checksum":true,"DTXSID":"DTXSID2046464","Formula":"C10H13NO2","All.Compound.Names":"Phenprobamate|Dtxsid2046464|673-31-4","logHenry":-7.759,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.958,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.82,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.522,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.1,"MP.Reference":"EPA-CCD-OPERA","MW":179.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"673-31-4"}
{"Compound":"2,6-dimethyl-2,4,6-octatriene","CAS":"673-84-7","CAS.Checksum":true,"DTXSID":"DTXSID4027288","Formula":"C10H16","All.Compound.Names":"2,6-dimethyl-2,4,6-octatriene|Dtxsid4027288","logHenry":-1.667,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.154,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2834,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.584,"logWSol.Reference":"EPA-CCD-OPERA","MP":-28.46,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"673-84-7"}
{"Compound":"Metam-sodium hydrate","CAS":"6734-80-1","CAS.Checksum":true,"DTXSID":"DTXSID2040361","Formula":"C2H10NNaO3S2","All.Compound.Names":"Metam-sodium hydrate|Dtxsid2040361|6734-80-1","logHenry":-7.817,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3723,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.553,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6895,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.63,"MP.Reference":"EPA-CCD-OPERA","MW":183.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6734-80-1"}
{"Compound":"Drospirenone","CAS":"67392-87-4","CAS.Checksum":true,"DTXSID":"DTXSID7046465","Formula":"C24H30O3","All.Compound.Names":"Drospirenone|67392-87-4|Dtxsid7046465","logHenry":-7.996,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.002,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.713,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.068,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.7,"MP.Reference":"EPA-CCD-OPERA","MW":366.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.76,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"67392-87-4"}
{"Compound":"Undecylbenzene","CAS":"6742-54-7","CAS.Checksum":true,"DTXSID":"DTXSID3029281","Formula":"C17H28","All.Compound.Names":"Undecylbenzene|1-phenylundecane|Dtxsid3029281|N-undecylbenzene","logHenry":-4.136,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.136,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2863,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.954,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.007,"MP.Reference":"EPA-CCD-OPERA","MW":232.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6742-54-7"}
{"Compound":"Gbr 12909 dihydrochloride","CAS":"67469-78-7","CAS.Checksum":true,"DTXSID":"DTXSID1042570","Formula":"C28H34Cl2F2N2O","All.Compound.Names":"Gbr 12909 dihydrochloride|Vanoxerine hydrochloride|Dtxsid1042570|Vanoxerine dihydrochloride|67469-78-7","logHenry":-6.605,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.712,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.971,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.585,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.1,"MP.Reference":"EPA-CCD-OPERA","MW":523.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67469-78-7"}
{"Compound":"(2r,6s)-fenpropimorph","CAS":"67564-91-4","CAS.Checksum":true,"DTXSID":"DTXSID4034601","Formula":"C20H33NO","All.Compound.Names":"(2r,6s)-fenpropimorph|Dtxsid4034601|67564-91-4","logHenry":-6.134,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.932,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.918,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.847,"logWSol.Reference":"EPA-CCD-OPERA","MP":132,"MP.Reference":"EPA-CCD-OPERA","MW":303.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67564-91-4"}
{"Compound":"Disodium 2-hydroxybutanedioate","CAS":"676-46-0","CAS.Checksum":true,"DTXSID":"DTXSID7046831","Formula":"C4H4Na2O5","All.Compound.Names":"Disodium 2-hydroxybutanedioate|Dtxsid7046831|676-46-0","logHenry":-8.204,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.697,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.465,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7139,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.7,"MP.Reference":"EPA-CCD-OPERA","MW":178.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"676-46-0"}
{"Compound":"Pd 0343701","CAS":"676116-04-4","CAS.Checksum":true,"DTXSID":"DTXSID7047271","Formula":"C26H34N4O4S2","All.Compound.Names":"Pd 0343701|Dtxsid7047271|676116-04-4","logHenry":-7.389,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5348,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.656,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.608,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.2,"MP.Reference":"EPA-CCD-OPERA","MW":530.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"676116-04-4"}
{"Compound":"Prop-2-en-1-yl (3-methylbutoxy)acetate","CAS":"67634-00-8","CAS.Checksum":true,"DTXSID":"DTXSID9025580","Formula":"C10H18O3","All.Compound.Names":"Prop-2-en-1-yl (3-methylbutoxy)acetate|Allyl 2-(isopentyloxy)acetate|Dtxsid9025580","logHenry":-4.208,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.561,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.513,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.744,"logWSol.Reference":"EPA-CCD-OPERA","MP":-59.42,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67634-00-8"}
{"Compound":"(2e,6z)-1,1-diethoxynona-2,6-diene","CAS":"67674-36-6","CAS.Checksum":true,"DTXSID":"DTXSID0047034","Formula":"C13H24O2","All.Compound.Names":"(2e,6z)-1,1-diethoxynona-2,6-diene|Dtxsid0047034","logHenry":-3.29,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.424,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.136,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.108,"logWSol.Reference":"EPA-CCD-OPERA","MP":-51.34,"MP.Reference":"EPA-CCD-OPERA","MW":212.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67674-36-6"}
{"Compound":"1,4-bis(methoxymethyl)benzene","CAS":"6770-38-3","CAS.Checksum":true,"DTXSID":"DTXSID7044712","Formula":"C10H14O2","All.Compound.Names":"1,4-bis(methoxymethyl)benzene|Dtxsid7044712","logHenry":-4.405,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.282,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.271,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.846,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.47,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6770-38-3"}
{"Compound":"Fatty acids, c16-18","CAS":"67701-03-5","CAS.Checksum":true,"DTXSID":"DTXSID7028306","All.Compound.Names":"Fatty acids, c16-18","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67701-03-5"}
{"Compound":"2-methyl-4-propyl-1,3-oxathiane","CAS":"67715-80-4","CAS.Checksum":true,"DTXSID":"DTXSID9047706","Formula":"C8H16OS","All.Compound.Names":"2-methyl-4-propyl-1,3-oxathiane|Dtxsid9047706","logHenry":-4.399,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.106,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8966,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.177,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.52,"MP.Reference":"EPA-CCD-OPERA","MW":160.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67715-80-4"}
{"Compound":"Alcohols, c16-18","CAS":"67762-27-0","CAS.Checksum":true,"DTXSID":"DTXSID0028323","All.Compound.Names":"Alcohols, c16-18","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67762-27-0"}
{"Compound":"Enefexine","CAS":"67765-04-2","CAS.Checksum":true,"DTXSID":"DTXSID8057803","Formula":"C13H19N","All.Compound.Names":"Enefexine|Dtxsid8057803|67765-04-2","logHenry":-5.686,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.083,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.708,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.86,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.44,"MP.Reference":"EPA-CCD-OPERA","MW":189.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67765-04-2"}
{"Compound":"Acid red 337","CAS":"67786-14-5","CAS.Checksum":true,"DTXSID":"DTXSID2044713","Formula":"C17H11F3N3NaO4S","All.Compound.Names":"Acid red 337|Dtxsid2044713|67786-14-5","logHenry":-9.806,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.196,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.094,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.184,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.2,"MP.Reference":"EPA-CCD-OPERA","MW":433.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67786-14-5"}
{"Compound":"Perflenapent","CAS":"678-26-2","CAS.Checksum":true,"DTXSID":"DTXSID3046613","Formula":"C5F12","All.Compound.Names":"Perflenapent|Dtxsid3046613","logHenry":-1.827,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.397,"logP.Reference":"EPA-CCD-OPERA","logPwa":-3.944,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.396,"logWSol.Reference":"EPA-CCD-OPERA","MP":-100,"MP.Reference":"EPA-CCD-OPERA","MW":288,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"678-26-2"}
{"Compound":"1,1,2,2-tetrahydroperfluoro-1-decanol","CAS":"678-39-7","CAS.Checksum":true,"DTXSID":"DTXSID7029904","Formula":"C10H5F17O","All.Compound.Names":"1,1,2,2-tetrahydroperfluoro-1-decanol|2-(perfluorooctyl)ethanol|Dtxsid7029904|Fluorotelomer alcohol 8:2|678-39-7","logHenry":-9.684,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.478,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.385,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.45,"MP.Reference":"EPA-CCD-OPERA","MW":464.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"678-39-7"}
{"Compound":"Isepamicin sulfate","CAS":"67814-76-0","CAS.Checksum":true,"DTXSID":"DTXSID2046462","Formula":"C22H45N5O16S","All.Compound.Names":"Isepamicin sulfate|Dtxsid2046462|67814-76-0","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.789,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.824,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8924,"logWSol.Reference":"EPA-CCD-OPERA","MP":141,"MP.Reference":"EPA-CCD-OPERA","MW":667.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67814-76-0"}
{"Compound":"2-(2-methylbutan-2-yl)cyclohexyl acetate","CAS":"67874-72-0","CAS.Checksum":true,"DTXSID":"DTXSID0044573","Formula":"C13H24O2","All.Compound.Names":"2-(2-methylbutan-2-yl)cyclohexyl acetate|Dtxsid0044573","logHenry":-3.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.808,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.158,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.497,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.792,"MP.Reference":"EPA-CCD-OPERA","MW":212.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67874-72-0"}
{"Compound":"(3z)-hex-3-en-1-yl (2e)-2-methylbut-2-enoate","CAS":"67883-79-8","CAS.Checksum":true,"DTXSID":"DTXSID7047562","Formula":"C11H18O2","All.Compound.Names":"(3z)-hex-3-en-1-yl (2e)-2-methylbut-2-enoate|Dtxsid7047562","logHenry":-3.837,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.561,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.93,"logWSol.Reference":"EPA-CCD-OPERA","MP":-60.64,"MP.Reference":"EPA-CCD-OPERA","MW":182.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67883-79-8"}
{"Compound":"Hexyl benzoate","CAS":"6789-88-4","CAS.Checksum":true,"DTXSID":"DTXSID9025403","Formula":"C13H18O2","All.Compound.Names":"Hexyl benzoate|Dtxsid9025403","logHenry":-4.209,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.447,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.462,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.525,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.725,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6789-88-4"}
{"Compound":"(-)-ambroxide","CAS":"6790-58-5","CAS.Checksum":true,"DTXSID":"DTXSID0047113","Formula":"C16H28O","All.Compound.Names":"(-)-ambroxide|Dtxsid0047113","logHenry":-2.862,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.562,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.856,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.099,"logWSol.Reference":"EPA-CCD-OPERA","MP":33.45,"MP.Reference":"EPA-CCD-OPERA","MW":236.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.254","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0.01541,0.01062,0.0202","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"6790-58-5"}
{"Compound":"4-(4-acetylpiperazin-4-yl)phenol","CAS":"67914-60-7","CAS.Checksum":true,"DTXSID":"DTXSID3057804","Formula":"C12H16N2O2","All.Compound.Names":"4-(4-acetylpiperazin-4-yl)phenol|Dtxsid3057804|67914-60-7","logHenry":-9.758,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9545,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.849,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.712,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.53,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67914-60-7"}
{"Compound":"Terconazole","CAS":"67915-31-5","CAS.Checksum":true,"DTXSID":"DTXSID2045498","Formula":"C26H31Cl2N5O3","All.Compound.Names":"Terconazole|Dtxsid2045498|67915-31-5","logHenry":-6.566,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.556,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.121,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.77,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.9,"MP.Reference":"EPA-CCD-OPERA","MW":532.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67915-31-5"}
{"Compound":"(methylthio)methylpyrazine","CAS":"67952-65-2","CAS.Checksum":true,"DTXSID":"DTXSID4047707","Formula":"C6H8N2S","All.Compound.Names":"(methylthio)methylpyrazine","MW":140.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67952-65-2"}
{"Compound":"N2-(4-nitrophenyl)-l-glutamine hydrochloride","CAS":"67953-08-6","CAS.Checksum":true,"DTXSID":"DTXSID7044714","Formula":"C11H14ClN3O5","All.Compound.Names":"N2-(4-nitrophenyl)-l-glutamine hydrochloride|N2-(4-nitrophenyl)-l-glutamine hydrochloride(1:1)|Dtxsid7044714|67953-08-6","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.467,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.7,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.213,"logWSol.Reference":"EPA-CCD-OPERA","MP":207,"MP.Reference":"EPA-CCD-OPERA","MW":303.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67953-08-6"}
{"Compound":"Thioglycolic acid","CAS":"68-11-1","CAS.Checksum":true,"DTXSID":"DTXSID8026141","Formula":"C2H4O2S","All.Compound.Names":"Thioglycolic acid|Dtxsid8026141|68-11-1","logHenry":-8.519,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.0901,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.951,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.035,"logWSol.Reference":"EPA-CCD-OPERA","MP":-16.4,"MP.Reference":"EPA-CCD-OPERA","MW":92.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68-11-1"}
{"Compound":"N,n-dimethylformamide","CAS":"68-12-2","CAS.Checksum":true,"DTXSID":"DTXSID6020515","Formula":"C3H7NO","All.Compound.Names":"N,n-dimethylformamide|Dtxsid6020515|68-12-2","logHenry":-7.133,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.01,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.152,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.136,"logWSol.Reference":"EPA-CCD-OPERA","MP":-60.31,"MP.Reference":"EPA-CCD-OPERA","MW":73.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68-12-2"}
{"Compound":"Vitamin b12","CAS":"68-19-9","CAS.Checksum":true,"DTXSID":"DTXSID7044346","Formula":"C63H88CoN14O14P","All.Compound.Names":"Vitamin b12|68-19-9","logHenry":-6.35,"logHenry.Reference":"OPERA29","logP":-3.63,"logP.Reference":"OPERA29","logWSol":-3.35,"logWSol.Reference":"OPERA29","MP":346,"MP.Reference":"OPERA29","MW":1355,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68-19-9"}
{"Compound":"Norethynodrel","CAS":"68-23-5","CAS.Checksum":true,"DTXSID":"DTXSID3021069","Formula":"C20H26O2","All.Compound.Names":"Norethynodrel|Dtxsid3021069|68-23-5","logHenry":-6.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.865,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.511,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.502,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.2,"MP.Reference":"EPA-CCD-OPERA","MW":298.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68-23-5"}
{"Compound":"Retinol","CAS":"68-26-8","CAS.Checksum":true,"DTXSID":"DTXSID3023556","Formula":"C20H30O","All.Compound.Names":"Retinol|Dtxsid3023556|68-26-8","logHenry":-4.208,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.681,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.114,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.603,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.42,"MP.Reference":"EPA-CCD-OPERA","MW":286.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68-26-8"}
{"Compound":"1,4-bis(trichloromethyl)benzene","CAS":"68-36-0","CAS.Checksum":true,"DTXSID":"DTXSID7026366","Formula":"C8H4Cl6","All.Compound.Names":"1,4-bis(trichloromethyl)benzene|Dtxsid7026366","logHenry":-3.699,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.62,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.799,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.605,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.9,"MP.Reference":"EPA-CCD-OPERA","MW":312.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68-36-0"}
{"Compound":"Cycloserine","CAS":"68-41-7","CAS.Checksum":true,"DTXSID":"DTXSID8022870","Formula":"C3H6N2O2","All.Compound.Names":"Cycloserine|68-41-7|Dtxsid8022870","logHenry":-7.058,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.996,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.359,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5905,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.6,"MP.Reference":"EPA-CCD-OPERA","MW":102.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.8,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"68-41-7"}
{"Compound":"Hydroxyzine","CAS":"68-88-2","CAS.Checksum":true,"DTXSID":"DTXSID8023137","Formula":"C21H27ClN2O2","All.Compound.Names":"Hydroxyzine|68-88-2|Dtxsid8023137","logHenry":-8.309,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.987,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.42,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.635,"logWSol.Reference":"EPA-CCD-OPERA","MP":136,"MP.Reference":"EPA-CCD-OPERA","MW":374.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.8,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"68-88-2"}
{"Compound":"Dipyrone","CAS":"68-89-3","CAS.Checksum":true,"DTXSID":"DTXSID8020543","Formula":"C13H16N3NaO4S","All.Compound.Names":"Dipyrone|Dtxsid8020543|68-89-3","logHenry":-10.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.253,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.516,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.111,"logWSol.Reference":"EPA-CCD-OPERA","MP":158,"MP.Reference":"EPA-CCD-OPERA","MW":333.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-3.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68-89-3"}
{"Compound":"Benziodarone","CAS":"68-90-6","CAS.Checksum":true,"DTXSID":"DTXSID1046134","Formula":"C17H12I2O3","All.Compound.Names":"Benziodarone|Dtxsid1046134|68-90-6","logHenry":-8.988,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.162,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.252,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.063,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.9,"MP.Reference":"EPA-CCD-OPERA","MW":518.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68-90-6"}
{"Compound":"Hypoxanthine","CAS":"68-94-0","CAS.Checksum":true,"DTXSID":"DTXSID8045983","Formula":"C5H4N4O","All.Compound.Names":"Hypoxanthine|Dtxsid8045983|68-94-0","logHenry":-8.244,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.109,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.292,"logWSol.Reference":"EPA-CCD-OPERA","MP":248,"MP.Reference":"EPA-CCD-OPERA","MW":136.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68-94-0"}
{"Compound":"2,4-dimethylcyclohex-3-ene-1-carbaldehyde","CAS":"68039-49-6","CAS.Checksum":true,"DTXSID":"DTXSID5044574","Formula":"C9H14O","All.Compound.Names":"2,4-dimethylcyclohex-3-ene-1-carbaldehyde|2,4-dimethyl-3-cyclohexene-1-carboxaldehyde|Dtxsid5044574","logHenry":-4.124,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.565,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.753,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.953,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.138,"MP.Reference":"EPA-CCD-OPERA","MW":138.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68039-49-6"}
{"Compound":"Carbadox","CAS":"6804-07-5","CAS.Checksum":true,"DTXSID":"DTXSID6043913","Formula":"C11H10N4O4","All.Compound.Names":"Carbadox|Dtxsid6043913|6804-07-5","logHenry":-7.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.265,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.639,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.16,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.7,"MP.Reference":"EPA-CCD-OPERA","MW":262.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6804-07-5"}
{"Compound":"(z)-4-hydroxytamoxifen","CAS":"68047-06-3","CAS.Checksum":true,"DTXSID":"DTXSID7022384","Formula":"C26H29NO2","All.Compound.Names":"(z)-4-hydroxytamoxifen|Dtxsid7022384|68047-06-3","logHenry":-7.997,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.454,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.848,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.559,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.5,"MP.Reference":"EPA-CCD-OPERA","MW":387.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68047-06-3"}
{"Compound":"Rolitetracycline hydrochloride","CAS":"68060-64-0","CAS.Checksum":true,"DTXSID":"DTXSID7047857","Formula":"C27H34ClN3O8","All.Compound.Names":"Rolitetracycline hydrochloride|Dtxsid7047857|68060-64-0","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.069,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.413,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.422,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.8,"MP.Reference":"EPA-CCD-OPERA","MW":564,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68060-64-0"}
{"Compound":"4,4'-(4-methylpentane-2,2-diyl)diphenol","CAS":"6807-17-6","CAS.Checksum":true,"DTXSID":"DTXSID8029282","Formula":"C18H22O2","All.Compound.Names":"4,4'-(4-methylpentane-2,2-diyl)diphenol|Dtxsid8029282|6807-17-6","logHenry":-5.432,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.92,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.198,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.201,"logWSol.Reference":"EPA-CCD-OPERA","MP":153,"MP.Reference":"EPA-CCD-OPERA","MW":270.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6807-17-6"}
{"Compound":"Cyhalothrin","CAS":"68085-85-8","CAS.Checksum":true,"DTXSID":"DTXSID6023997","Formula":"C23H19ClF3NO3","All.Compound.Names":"Cyhalothrin|Alpha-cyhalothrin|Dtxsid6023997","logHenry":-7.949,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.799,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.892,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.657,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.36,"MP.Reference":"EPA-CCD-OPERA","MW":449.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68085-85-8"}
{"Compound":"Teprenone","CAS":"6809-52-5","CAS.Checksum":true,"DTXSID":"DTXSID6048620","Formula":"C23H38O","All.Compound.Names":"Teprenone|Dtxsid6048620","logHenry":-6.594,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.583,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.402,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.02,"MP.Reference":"EPA-CCD-OPERA","MW":330.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6809-52-5"}
{"Compound":"2,2-dimethylpentanedioic acid","CAS":"681-57-2","CAS.Checksum":true,"DTXSID":"DTXSID6021585","Formula":"C7H12O4","All.Compound.Names":"2,2-dimethylpentanedioic acid|Dtxsid6021585|681-57-2","logHenry":-9.599,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6708,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.914,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6253,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.1,"MP.Reference":"EPA-CCD-OPERA","MW":160.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"681-57-2"}
{"Compound":"Tetramethyl orthosilicate","CAS":"681-84-5","CAS.Checksum":true,"DTXSID":"DTXSID3027291","Formula":"C4H12O4Si","All.Compound.Names":"Tetramethyl orthosilicate|Dtxsid3027291","logHenry":-3.346,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1341,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.404,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.565,"logWSol.Reference":"EPA-CCD-OPERA","MP":-73.94,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"681-84-5"}
{"Compound":"Tetrapropyl orthosilicate","CAS":"682-01-9","CAS.Checksum":true,"DTXSID":"DTXSID9042382","Formula":"C12H28O4Si","All.Compound.Names":"Tetrapropyl orthosilicate|Dtxsid9042382","logHenry":-5.174,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.783,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.046,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.551,"logWSol.Reference":"EPA-CCD-OPERA","MP":-52.02,"MP.Reference":"EPA-CCD-OPERA","MW":264.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"682-01-9"}
{"Compound":"2,2-bis[(prop-2-en-1-yloxy)methyl]butan-1-ol","CAS":"682-09-7","CAS.Checksum":true,"DTXSID":"DTXSID7044976","Formula":"C12H22O3","All.Compound.Names":"2,2-bis[(prop-2-en-1-yloxy)methyl]butan-1-ol|Dtxsid7044976|682-09-7","logHenry":-4.887,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.845,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.732,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5831,"logWSol.Reference":"EPA-CCD-OPERA","MP":-16.89,"MP.Reference":"EPA-CCD-OPERA","MW":214.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"682-09-7"}
{"Compound":"Isosulfan blue","CAS":"68238-36-8","CAS.Checksum":true,"DTXSID":"DTXSID8057805","Formula":"C27H31N2NaO6S2","All.Compound.Names":"Isosulfan blue|Dtxsid8057805|68238-36-8","logHenry":-10.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.733,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.967,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.954,"logWSol.Reference":"EPA-CCD-OPERA","MP":227.9,"MP.Reference":"EPA-CCD-OPERA","MW":566.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68238-36-8"}
{"Compound":"Zonisamide","CAS":"68291-97-4","CAS.Checksum":true,"DTXSID":"DTXSID9046023","Formula":"C8H8N2O3S","All.Compound.Names":"Zonisamide|68291-97-4|Dtxsid9046023","logHenry":-7.94,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4812,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.139,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.361,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.7,"MP.Reference":"EPA-CCD-OPERA","MW":212.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"68291-97-4"}
{"Compound":"2,2-dimethyl-2,3-dihydro-1-benzofuran-7-amine","CAS":"68298-46-4","CAS.Checksum":true,"DTXSID":"DTXSID2044715","Formula":"C10H13NO","All.Compound.Names":"2,2-dimethyl-2,3-dihydro-1-benzofuran-7-amine|Dtxsid2044715|68298-46-4","logHenry":-6.641,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.517,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.848,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.009,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.08,"MP.Reference":"EPA-CCD-OPERA","MW":163.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68298-46-4"}
{"Compound":"Dibutyltin dichloride","CAS":"683-18-1","CAS.Checksum":true,"DTXSID":"DTXSID8027292","Formula":"C8H18Cl2Sn","All.Compound.Names":"Dibutyltin dichloride","MW":303.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"683-18-1"}
{"Compound":"2,2-dichloroacetamide","CAS":"683-72-7","CAS.Checksum":true,"DTXSID":"DTXSID8021561","Formula":"C2H3Cl2NO","All.Compound.Names":"2,2-dichloroacetamide|Dtxsid8021561|683-72-7","logHenry":-8.509,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1905,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.498,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2571,"logWSol.Reference":"EPA-CCD-OPERA","MP":99.45,"MP.Reference":"EPA-CCD-OPERA","MW":128,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"683-72-7"}
{"Compound":"Amlenanox","CAS":"68302-57-8","CAS.Checksum":true,"DTXSID":"DTXSID2022595","Formula":"C16H14N2O4","All.Compound.Names":"Amlenanox|Dtxsid2022595|68302-57-8","logHenry":-10.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.903,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.46,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.274,"logWSol.Reference":"EPA-CCD-OPERA","MP":281,"MP.Reference":"EPA-CCD-OPERA","MW":298.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68302-57-8"}
{"Compound":"Pentamycin","CAS":"6834-98-6","CAS.Checksum":true,"DTXSID":"DTXSID4046866","Formula":"C35H58O12","All.Compound.Names":"Pentamycin|Dtxsid4046866|6834-98-6","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.193,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.41,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.5,"MP.Reference":"EPA-CCD-OPERA","MW":670.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6834-98-6"}
{"Compound":"Sorbinil","CAS":"68367-52-2","CAS.Checksum":true,"DTXSID":"DTXSID0023587","Formula":"C11H9FN2O3","All.Compound.Names":"Sorbinil|Dtxsid0023587|68367-52-2","logHenry":-8.726,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.781,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.31,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.096,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.9,"MP.Reference":"EPA-CCD-OPERA","MW":236.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68367-52-2"}
{"Compound":"1-cyclohexylpyrrolidin-2-one","CAS":"6837-24-7","CAS.Checksum":true,"DTXSID":"DTXSID7044716","Formula":"C10H17NO","All.Compound.Names":"1-cyclohexylpyrrolidin-2-one|Dtxsid7044716|6837-24-7","logHenry":-5.406,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.964,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.657,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3719,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.98,"MP.Reference":"EPA-CCD-OPERA","MW":167.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6837-24-7"}
{"Compound":"Arotinolol hydrochloride","CAS":"68377-91-3","CAS.Checksum":true,"DTXSID":"DTXSID1046849","Formula":"C15H22ClN3O2S3","All.Compound.Names":"Arotinolol hydrochloride|Dtxsid1046849|68377-91-3","logHenry":-8.104,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6278,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.985,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.959,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.5,"MP.Reference":"EPA-CCD-OPERA","MW":408,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68377-91-3"}
{"Compound":"Quaternary ammonium compounds, benzyl-c12-18-alkyldimethyl, chlorides","CAS":"68391-01-5","CAS.Checksum":true,"DTXSID":"DTXSID4028460","All.Compound.Names":"Quaternary ammonium compounds, benzyl-c12-18-alkyldimethyl, chlorides|Benzyl-c12-18-alkyldimethylammonium chlorides","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68391-01-5"}
{"Compound":"N-nitroso-n-methylurea","CAS":"684-93-5","CAS.Checksum":true,"DTXSID":"DTXSID4021006","Formula":"C2H5N3O2","All.Compound.Names":"N-nitroso-n-methylurea|Dtxsid4021006|684-93-5","logHenry":-7.718,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.03205,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.799,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8504,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.9,"MP.Reference":"EPA-CCD-OPERA","MW":103.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-1.66","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"684-93-5"}
{"Compound":"Ceftizoxime sodium","CAS":"68401-82-1","CAS.Checksum":true,"DTXSID":"DTXSID5046643","Formula":"C13H12N5NaO5S2","All.Compound.Names":"Ceftizoxime sodium|Dtxsid5046643|68401-82-1","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.05156,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.429,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.752,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.6,"MP.Reference":"EPA-CCD-OPERA","MW":405.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.99","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68401-82-1"}
{"Compound":"1-propene, tetramer","CAS":"6842-15-5","CAS.Checksum":true,"DTXSID":"DTXSID6027634","All.Compound.Names":"1-propene, tetramer|Dtxsid6027634|1-propene tetramer","logHenry":-2.59,"logHenry.Reference":"OPERA29","logP":5.27,"logP.Reference":"OPERA29","logWSol":-5.94,"logWSol.Reference":"OPERA29","MP":-22,"MP.Reference":"OPERA29","MW":162.1,"MW.Reference":"OPERA29","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6842-15-5"}
{"Compound":"Quaternary ammonium compounds, benzyl-c12-16-alkyldimethyl, chlorides","CAS":"68424-85-1","CAS.Checksum":true,"DTXSID":"DTXSID6028492","Formula":"C21H38ClN","All.Compound.Names":"Quaternary ammonium compounds, benzyl-c12-16-alkyldimethyl, chlorides|C12-16-alkylbenzyldimethylammonium chlorides|68424-85-1","logHenry":-2.46,"logHenry.Reference":"OPERA29","logP":2.02,"logP.Reference":"OPERA29","logWSol":-6.5,"logWSol.Reference":"OPERA29","MP":3,"MP.Reference":"OPERA29","MW":340,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68424-85-1"}
{"Compound":"Dimethoxy(diphenyl)silane","CAS":"6843-66-9","CAS.Checksum":true,"DTXSID":"DTXSID2044717","Formula":"C14H16O2Si","All.Compound.Names":"Dimethoxy(diphenyl)silane|Dtxsid2044717","logHenry":-5.512,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.235,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.323,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.115,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.849,"MP.Reference":"EPA-CCD-OPERA","MW":244.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6843-66-9"}
{"Compound":"Diethylmethylbenzenediamine","CAS":"68479-98-1","CAS.Checksum":true,"DTXSID":"DTXSID0028618","All.Compound.Names":"Diethylmethylbenzenediamine","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68479-98-1"}
{"Compound":"Diethylacetamide","CAS":"685-91-6","CAS.Checksum":true,"DTXSID":"DTXSID9020459","Formula":"C6H13NO","All.Compound.Names":"Diethylacetamide|N,n-diethylacetamide|Dtxsid9020459|685-91-6","logHenry":-7.671,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.339,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.786,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3292,"logWSol.Reference":"EPA-CCD-OPERA","MP":-26.58,"MP.Reference":"EPA-CCD-OPERA","MW":115.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"685-91-6"}
{"Compound":"Vigabatrin","CAS":"68506-86-5","CAS.Checksum":true,"DTXSID":"DTXSID4041153","Formula":"C6H11NO2","All.Compound.Names":"Vigabatrin|4-amino-5-hexenoic acid|Dtxsid4041153|68506-86-5","logHenry":-6.42,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.16,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.743,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7438,"logWSol.Reference":"EPA-CCD-OPERA","MP":262.8,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.44","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"68506-86-5"}
{"Compound":"Dinp branched","CAS":"68515-48-0","CAS.Checksum":true,"DTXSID":"DTXSID5028665","All.Compound.Names":"Dinp branched","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68515-48-0"}
{"Compound":"1,2-benzenedicarboxylic acid, di-c9-11-branched alkyl esters, c10-rich","CAS":"68515-49-1","CAS.Checksum":true,"DTXSID":"DTXSID0028666","All.Compound.Names":"1,2-benzenedicarboxylic acid, di-c9-11-branched alkyl esters, c10-rich","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68515-49-1"}
{"Compound":"Hexanedioic acid, di-c7-9-branched and linear alkyl esters","CAS":"68515-75-3","CAS.Checksum":true,"DTXSID":"DTXSID2047517","All.Compound.Names":"Hexanedioic acid, di-c7-9-branched and linear alkyl esters","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68515-75-3"}
{"Compound":"Cilostamide","CAS":"68550-75-4","CAS.Checksum":true,"DTXSID":"DTXSID3045140","Formula":"C20H26N2O3","All.Compound.Names":"Cilostamide|N-cyclohexyl-4-((1,2-dihydro-2-oxo-6-quinolyl)oxy)-n-methylbutyramide|Dtxsid3045140|68550-75-4","logHenry":-8.748,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.275,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.043,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.438,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.8,"MP.Reference":"EPA-CCD-OPERA","MW":342.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68550-75-4"}
{"Compound":"Acid orange 156","CAS":"68555-86-2","CAS.Checksum":true,"DTXSID":"DTXSID7044718","Formula":"C21H19N4NaO5S","All.Compound.Names":"Acid orange 156|C.i. acid orange 156|Dtxsid7044718|68555-86-2","logHenry":-6.605,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.924,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.479,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.11,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.2,"MP.Reference":"EPA-CCD-OPERA","MW":462.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68555-86-2"}
{"Compound":"Enciprazine","CAS":"68576-86-3","CAS.Checksum":true,"DTXSID":"DTXSID3057806","Formula":"C23H32N2O6","All.Compound.Names":"Enciprazine|Dtxsid3057806|68576-86-3","logHenry":-8.711,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.835,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.456,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.286,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.3,"MP.Reference":"EPA-CCD-OPERA","MW":432.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68576-86-3"}
{"Compound":"Benzenesulfonic acid, c10-16-alkyl derivs.","CAS":"68584-22-5","CAS.Checksum":true,"DTXSID":"DTXSID2028723","Formula":"C16H26O3S","All.Compound.Names":"Benzenesulfonic acid, c10-16-alkyl derivs.|(c10-c16) alkylbenzenesulfonic acid","logHenry":-1.87,"logHenry.Reference":"OPERA29","logP":5.01,"logP.Reference":"OPERA29","logWSol":-6.43,"logWSol.Reference":"OPERA29","MP":-30,"MP.Reference":"OPERA29","MW":298.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68584-22-5"}
{"Compound":"Cananga oil","CAS":"68606-83-7","CAS.Checksum":true,"DTXSID":"DTXSID4047709","All.Compound.Names":"Cananga oil","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68606-83-7"}
{"Compound":"Oxirane, mono[(c8-10-alkyloxy)methyl] derivs.","CAS":"68609-96-1","CAS.Checksum":true,"DTXSID":"DTXSID0029474","All.Compound.Names":"Oxirane, mono[(c8-10-alkyloxy)methyl] derivs.|Alkyl (c8,c10) glycidyl ether","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68609-96-1"}
{"Compound":"C12-14-alkyl glycidyl ether","CAS":"68609-97-2","CAS.Checksum":true,"DTXSID":"DTXSID7028774","All.Compound.Names":"C12-14-alkyl glycidyl ether|Alkyl (c12-c14) glycidyl ether","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68609-97-2"}
{"Compound":"Phenol, 4-methyl-, reaction products with dicyclopentadiene and isobutylene","CAS":"68610-51-5","CAS.Checksum":true,"DTXSID":"DTXSID7028776","All.Compound.Names":"Phenol, 4-methyl-, reaction products with dicyclopentadiene and isobutylene","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68610-51-5"}
{"Compound":"Bis(2-butyl) ether","CAS":"6863-58-7","CAS.Checksum":true,"DTXSID":"DTXSID6027636","Formula":"C8H18O","All.Compound.Names":"Bis(2-butyl) ether|Dtxsid6027636","logHenry":-2.592,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.287,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1231,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.039,"logWSol.Reference":"EPA-CCD-OPERA","MP":-99.7,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6863-58-7"}
{"Compound":"2,2',4,4',5,5'-hexabromodiphenyl ether","CAS":"68631-49-2","CAS.Checksum":true,"DTXSID":"DTXSID4030047","Formula":"C12H4Br6O","All.Compound.Names":"2,2',4,4',5,5'-hexabromodiphenyl ether|Dtxsid4030047","logHenry":-2.349,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.897,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.809,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.027,"logWSol.Reference":"EPA-CCD-OPERA","MP":221.7,"MP.Reference":"EPA-CCD-OPERA","MW":643.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68631-49-2"}
{"Compound":"4,4'-methylenebis(2-methylcyclohexanamine)","CAS":"6864-37-5","CAS.Checksum":true,"DTXSID":"DTXSID6029670","Formula":"C15H30N2","All.Compound.Names":"4,4'-methylenebis(2-methylcyclohexanamine)|Bis(4-amino-3-methylcyclohexyl)methane|Dtxsid6029670|6864-37-5","logHenry":-5.461,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.784,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.566,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.749,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.11,"MP.Reference":"EPA-CCD-OPERA","MW":238.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6864-37-5"}
{"Compound":"Pharmagsid_48519","CAS":"686756-87-6","CAS.Checksum":true,"DTXSID":"DTXSID4048519","Formula":"C22H20BrN5O4","All.Compound.Names":"Pharmagsid_48519|Dtxsid4048519|686756-87-6","logHenry":-10.85,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.881,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.849,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.043,"logWSol.Reference":"EPA-CCD-OPERA","MP":229.5,"MP.Reference":"EPA-CCD-OPERA","MW":498.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"686756-87-6"}
{"Compound":"N,n-dimethyltryptamine fumarate","CAS":"68677-26-9","CAS.Checksum":true,"DTXSID":"DTXSID0048896","Formula":"C16H20N2O4","All.Compound.Names":"N,n-dimethyltryptamine fumarate|Dtxsid0048896|68677-26-9","logHenry":-7.147,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6746,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.819,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9507,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.1,"MP.Reference":"EPA-CCD-OPERA","MW":304.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68677-26-9"}
{"Compound":"Modafinil","CAS":"68693-11-8","CAS.Checksum":true,"DTXSID":"DTXSID0023329","Formula":"C15H15NO2S","All.Compound.Names":"Modafinil|68693-11-8|Dtxsid0023329","logHenry":-8.633,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.401,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.132,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.585,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.2,"MP.Reference":"EPA-CCD-OPERA","MW":273.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.8,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"68693-11-8"}
{"Compound":"(l)-(-)-ethyl lactate","CAS":"687-47-8","CAS.Checksum":true,"DTXSID":"DTXSID9042336","Formula":"C5H10O3","All.Compound.Names":"(l)-(-)-ethyl lactate|Dtxsid9042336|687-47-8","logHenry":-6.172,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.04012,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.163,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9255,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.49,"MP.Reference":"EPA-CCD-OPERA","MW":118.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"687-47-8"}
{"Compound":"Loxoprofen","CAS":"68767-14-6","CAS.Checksum":true,"DTXSID":"DTXSID1045164","Formula":"C15H18O3","All.Compound.Names":"Loxoprofen|Dtxsid1045164|68767-14-6","logHenry":-8.941,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.929,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.101,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.451,"logWSol.Reference":"EPA-CCD-OPERA","MP":133,"MP.Reference":"EPA-CCD-OPERA","MW":246.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"44.7,19.8,101","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"68767-14-6"}
{"Compound":"Triclabendazole","CAS":"68786-66-3","CAS.Checksum":true,"DTXSID":"DTXSID7043952","Formula":"C14H9Cl3N2OS","All.Compound.Names":"Triclabendazole|Dtxsid7043952|68786-66-3","logHenry":-5.737,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.925,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.472,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.56,"logWSol.Reference":"EPA-CCD-OPERA","MP":234.2,"MP.Reference":"EPA-CCD-OPERA","MW":359.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68786-66-3"}
{"Compound":"Disodium 5-methyltetrahydrofolate","CAS":"68792-52-9","CAS.Checksum":true,"DTXSID":"DTXSID4046814","Formula":"C20H23N7Na2O6","All.Compound.Names":"Disodium 5-methyltetrahydrofolate|Dtxsid4046814|68792-52-9","logHenry":-10.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.00202,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.564,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.679,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.4,"MP.Reference":"EPA-CCD-OPERA","MW":503.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.66","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"-0.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68792-52-9"}
{"Compound":"2-ethylhexyl methacrylate","CAS":"688-84-6","CAS.Checksum":true,"DTXSID":"DTXSID3027293","Formula":"C12H22O2","All.Compound.Names":"2-ethylhexyl methacrylate|2-ethylhexyl 2-methyl-2-propenoate|Dtxsid3027293","logHenry":-3.688,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.538,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.186,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.954,"logWSol.Reference":"EPA-CCD-OPERA","MP":-56.87,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"688-84-6"}
{"Compound":"2-(2-propoxyethoxy)ethanol","CAS":"6881-94-3","CAS.Checksum":true,"DTXSID":"DTXSID1027639","Formula":"C7H16O3","All.Compound.Names":"2-(2-propoxyethoxy)ethanol|Dtxsid1027639|6881-94-3","logHenry":-8.377,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3136,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.796,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.828,"logWSol.Reference":"EPA-CCD-OPERA","MP":-41.67,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6881-94-3"}
{"Compound":"Astemizole","CAS":"68844-77-9","CAS.Checksum":true,"DTXSID":"DTXSID9020110","Formula":"C28H31FN4O","All.Compound.Names":"Astemizole|68844-77-9|Dtxsid9020110","logHenry":-6.545,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.585,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.608,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.491,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.1,"MP.Reference":"EPA-CCD-OPERA","MW":458.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.02,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"68844-77-9"}
{"Compound":"Piroctone olamine","CAS":"68890-66-4","CAS.Checksum":true,"DTXSID":"DTXSID4046735","Formula":"C17H32N2O3","All.Compound.Names":"Piroctone olamine","MW":312.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68890-66-4"}
{"Compound":"Sec-butylurea","CAS":"689-11-2","CAS.Checksum":true,"DTXSID":"DTXSID8027294","Formula":"C5H12N2O","All.Compound.Names":"Sec-butylurea|Dtxsid8027294|689-11-2","logHenry":-7.086,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5392,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.296,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6981,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.22,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"689-11-2"}
{"Compound":"6,10-dimethyl-5,9-undecadiene-2-one","CAS":"689-67-8","CAS.Checksum":true,"DTXSID":"DTXSID1021586","Formula":"C13H22O","All.Compound.Names":"6,10-dimethyl-5,9-undecadiene-2-one|Dtxsid1021586","logHenry":-3.476,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.293,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.367,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.332,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.661,"MP.Reference":"EPA-CCD-OPERA","MW":194.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"689-67-8"}
{"Compound":"Polyphosphoric acids, sodium salts","CAS":"68915-31-1","CAS.Checksum":true,"DTXSID":"DTXSID8028842","All.Compound.Names":"Polyphosphoric acids, sodium salts|Sodium polyphosphate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68915-31-1"}
{"Compound":"Bran","CAS":"68916-76-7","CAS.Checksum":true,"DTXSID":"DTXSID8047711","All.Compound.Names":"Bran|Oils, bran","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68916-76-7"}
{"Compound":"Bis[(2-ethyl-2,5-dimethylhexanoyl)oxy](dimethyl)stannane","CAS":"68928-76-7","CAS.Checksum":true,"DTXSID":"DTXSID7044978","All.Compound.Names":"Bis[(2-ethyl-2,5-dimethylhexanoyl)oxy](dimethyl)stannane","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68928-76-7"}
{"Compound":"D-glutamic acid","CAS":"6893-26-1","CAS.Checksum":true,"DTXSID":"DTXSID1048675","Formula":"C5H9NO4","All.Compound.Names":"D-glutamic acid|Dtxsid1048675|6893-26-1","logHenry":-9.303,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.688,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.95,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1617,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.1,"MP.Reference":"EPA-CCD-OPERA","MW":147.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.15","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6893-26-1"}
{"Compound":"Phenol, isopropylated, phosphate (3:1)","CAS":"68937-41-7","CAS.Checksum":true,"DTXSID":"DTXSID4028880","All.Compound.Names":"Phenol, isopropylated, phosphate (3:1)|Triphenyl phosphates isopropylated","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68937-41-7"}
{"Compound":"Disiquonium chloride","CAS":"68959-20-6","CAS.Checksum":true,"DTXSID":"DTXSID5035589","Formula":"C27H60ClNO3Si","All.Compound.Names":"Disiquonium chloride|Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride|Dtxsid5035589|68959-20-6","logHenry":-6.157,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.704,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.999,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.78,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.4,"MP.Reference":"EPA-CCD-OPERA","MW":510.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68959-20-6"}
{"Compound":"(z,e)-diethylstilbestrol","CAS":"6898-97-1","CAS.Checksum":true,"DTXSID":"DTXSID3040770","Formula":"C18H20O2","All.Compound.Names":"(z,e)-diethylstilbestrol|Dtxsid3040770|6898-97-1","logHenry":-9.744,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.067,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.129,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.408,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.5,"MP.Reference":"EPA-CCD-OPERA","MW":268.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6898-97-1"}
{"Compound":"Caffeine, citrated","CAS":"69-22-7","CAS.Checksum":true,"DTXSID":"DTXSID5046938","Formula":"C14H18N4O9","All.Compound.Names":"Caffeine, citrated|Dtxsid5046938|69-22-7","logHenry":-5.808,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8383,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.682,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9518,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.6,"MP.Reference":"EPA-CCD-OPERA","MW":386.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69-22-7"}
{"Compound":"Eledoisin","CAS":"69-25-0","CAS.Checksum":true,"DTXSID":"DTXSID1046926","Formula":"C54H85N13O15S","All.Compound.Names":"Eledoisin|Dtxsid1046926|69-25-0","logHenry":-10.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.545,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.091,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.08,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.9,"MP.Reference":"EPA-CCD-OPERA","MW":1188,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69-25-0"}
{"Compound":"Chlorisondamine chloride","CAS":"69-27-2","CAS.Checksum":true,"DTXSID":"DTXSID7046332","Formula":"C14H20Cl6N2","All.Compound.Names":"Chlorisondamine chloride|Dtxsid7046332|69-27-2","logHenry":-3.303,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2282,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.751,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.02,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.9,"MP.Reference":"EPA-CCD-OPERA","MW":429,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69-27-2"}
{"Compound":"Prenylamine lactate","CAS":"69-43-2","CAS.Checksum":true,"DTXSID":"DTXSID5045544","Formula":"C27H33NO3","All.Compound.Names":"Prenylamine lactate|Dtxsid5045544|69-43-2","logHenry":-6.492,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.504,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.01,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.667,"logWSol.Reference":"EPA-CCD-OPERA","MP":168,"MP.Reference":"EPA-CCD-OPERA","MW":419.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69-43-2"}
{"Compound":"D-mannitol","CAS":"69-65-8","CAS.Checksum":true,"DTXSID":"DTXSID1023235","Formula":"C6H14O6","All.Compound.Names":"D-mannitol|Dtxsid1023235|69-65-8","logHenry":-10.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.38,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.84,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5196,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.3,"MP.Reference":"EPA-CCD-OPERA","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.9,0.177,4.57","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"69-65-8"}
{"Compound":"Carbazochrome","CAS":"69-81-8","CAS.Checksum":true,"DTXSID":"DTXSID3048310","Formula":"C10H12N4O3","All.Compound.Names":"Carbazochrome|Dtxsid3048310|69-81-8","logHenry":-10.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.428,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.975,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9999,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.5,"MP.Reference":"EPA-CCD-OPERA","MW":236.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69-81-8"}
{"Compound":"Uric acid","CAS":"69-93-2","CAS.Checksum":true,"DTXSID":"DTXSID3042508","Formula":"C5H4N4O3","All.Compound.Names":"Uric acid|Dtxsid3042508|69-93-2","logHenry":-8.502,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.168,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.7,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.424,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.3,"MP.Reference":"EPA-CCD-OPERA","MW":168.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69-93-2"}
{"Compound":"Toltrazuril sulfone","CAS":"69004-04-2","CAS.Checksum":true,"DTXSID":"DTXSID7048958","Formula":"C18H14F3N3O6S","All.Compound.Names":"Toltrazuril sulfone|Dtxsid7048958|69004-04-2","logHenry":-8.28,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.749,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.451,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.461,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.9,"MP.Reference":"EPA-CCD-OPERA","MW":457.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69004-04-2"}
{"Compound":"Tiotidine","CAS":"69014-14-8","CAS.Checksum":true,"DTXSID":"DTXSID6046341","Formula":"C10H16N8S2","All.Compound.Names":"Tiotidine|Dtxsid6046341|69014-14-8","logHenry":-9.033,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.679,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.716,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.042,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.7,"MP.Reference":"EPA-CCD-OPERA","MW":312.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69014-14-8"}
{"Compound":"Pyridine, 2-chloro-5-(trichloromethyl)-","CAS":"69045-78-9","CAS.Checksum":true,"DTXSID":"DTXSID4028967","Formula":"C6H3Cl4N","All.Compound.Names":"Pyridine, 2-chloro-5-(trichloromethyl)-|2-chloro-5-trichloromethylpyridine|Dtxsid4028967|69045-78-9","logHenry":-3.801,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.475,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.28,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.597,"logWSol.Reference":"EPA-CCD-OPERA","MP":65,"MP.Reference":"EPA-CCD-OPERA","MW":230.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69045-78-9"}
{"Compound":"Pyridine, 2,3-dichloro-5-(trichloromethyl)-","CAS":"69045-83-6","CAS.Checksum":true,"DTXSID":"DTXSID7029534","Formula":"C6H2Cl5N","All.Compound.Names":"Pyridine, 2,3-dichloro-5-(trichloromethyl)-|2,3-dichloro-5-(trichloromethyl)pyridine|Dtxsid7029534|69045-83-6","logHenry":-3.806,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.693,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.211,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.973,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.27,"MP.Reference":"EPA-CCD-OPERA","MW":265.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69045-83-6"}
{"Compound":"Alfentanil hydrochloride","CAS":"69049-06-5","CAS.Checksum":true,"DTXSID":"DTXSID0048927","Formula":"C21H33ClN6O3","All.Compound.Names":"Alfentanil hydrochloride|Dtxsid0048927|69049-06-5","logHenry":-7.861,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.107,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.582,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.423,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.8,"MP.Reference":"EPA-CCD-OPERA","MW":453,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69049-06-5"}
{"Compound":"(6r)-tetrahydrobiopterin dihydrochloride","CAS":"69056-38-8","CAS.Checksum":true,"DTXSID":"DTXSID0040620","Formula":"C9H17Cl2N5O3","All.Compound.Names":"(6r)-tetrahydrobiopterin dihydrochloride|Sapropterin dihydrochloride|Dtxsid0040620|69056-38-8","logHenry":-10.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.047,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.73,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9005,"logWSol.Reference":"EPA-CCD-OPERA","MP":233,"MP.Reference":"EPA-CCD-OPERA","MW":314.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69056-38-8"}
{"Compound":"Tributylmethylphosphonium methyl sulfate","CAS":"69056-62-8","CAS.Checksum":true,"DTXSID":"DTXSID0047870","Formula":"C14H33O4PS","All.Compound.Names":"Tributylmethylphosphonium methyl sulfate","logHenry":-1.355,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.569,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.85,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.168,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.9,"MP.Reference":"EPA-CCD-OPERA","MW":328.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69056-62-8"}
{"Compound":"2-thienyl disulfide","CAS":"6911-51-9","CAS.Checksum":true,"DTXSID":"DTXSID8047476","Formula":"C8H6S4","All.Compound.Names":"2-thienyl disulfide|Dtxsid8047476","logHenry":-3.326,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.363,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.058,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.087,"logWSol.Reference":"EPA-CCD-OPERA","MP":66.36,"MP.Reference":"EPA-CCD-OPERA","MW":230.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6911-51-9"}
{"Compound":"Fiacitabine","CAS":"69123-90-6","CAS.Checksum":true,"DTXSID":"DTXSID8057807","Formula":"C9H11FIN3O4","All.Compound.Names":"Fiacitabine|Dtxsid8057807|69123-90-6","logHenry":-10.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5795,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.809,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.346,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.1,"MP.Reference":"EPA-CCD-OPERA","MW":371.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69123-90-6"}
{"Compound":"Malic acid","CAS":"6915-15-7","CAS.Checksum":true,"DTXSID":"DTXSID0027640","Formula":"C4H6O5","All.Compound.Names":"Malic acid|Dtxsid0027640|6915-15-7","logHenry":-8.204,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.263,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.031,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7139,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.1,"MP.Reference":"EPA-CCD-OPERA","MW":134.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6915-15-7"}
{"Compound":"Ethyl undec-10-enoate","CAS":"692-86-4","CAS.Checksum":true,"DTXSID":"DTXSID4044828","Formula":"C13H24O2","All.Compound.Names":"Ethyl undec-10-enoate|Dtxsid4044828","logHenry":-3.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.769,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.919,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.869,"logWSol.Reference":"EPA-CCD-OPERA","MP":-37.82,"MP.Reference":"EPA-CCD-OPERA","MW":212.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"692-86-4"}
{"Compound":"1-ethyl-1-methylpyrrolidinium bromide","CAS":"69227-51-6","CAS.Checksum":true,"DTXSID":"DTXSID2049347","Formula":"C7H16BrN","All.Compound.Names":"1-ethyl-1-methylpyrrolidinium bromide|Dtxsid2049347|69227-51-6","logHenry":-0.9352,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.096,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.168,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2721,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.3,"MP.Reference":"EPA-CCD-OPERA","MW":194.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69227-51-6"}
{"Compound":"Acetic acid, antimony(3+) salt","CAS":"6923-52-0","CAS.Checksum":true,"DTXSID":"DTXSID3029283","Formula":"C6H9O6Sb","All.Compound.Names":"Acetic acid, antimony(3+) salt|Antimony triacetate|Dtxsid3029283|6923-52-0","logHenry":-6.998,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.269,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.499,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.8,"MP.Reference":"EPA-CCD-OPERA","MW":298.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6923-52-0"}
{"Compound":"Acriflavine hydrochloride","CAS":"69235-50-3","CAS.Checksum":true,"DTXSID":"DTXSID4045848","All.Compound.Names":"Acriflavine hydrochloride","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69235-50-3"}
{"Compound":"Dipropyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate","CAS":"6928-67-2","CAS.Checksum":true,"DTXSID":"DTXSID2044719","Formula":"C14H14Cl4O4","All.Compound.Names":"Dipropyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate|Dtxsid2044719","logHenry":-7.319,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.108,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.776,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.249,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.24,"MP.Reference":"EPA-CCD-OPERA","MW":388.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6928-67-2"}
{"Compound":"4-methyl-1-piperazinamine","CAS":"6928-85-4","CAS.Checksum":true,"DTXSID":"DTXSID3057808","Formula":"C5H13N3","All.Compound.Names":"4-methyl-1-piperazinamine|Dtxsid3057808|6928-85-4","logHenry":-6.131,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2161,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.424,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9106,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.5,"MP.Reference":"EPA-CCD-OPERA","MW":115.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6928-85-4"}
{"Compound":"1-chloro-2-(ethylthio)ethane","CAS":"693-07-2","CAS.Checksum":true,"DTXSID":"DTXSID3027295","Formula":"C4H9ClS","All.Compound.Names":"1-chloro-2-(ethylthio)ethane|2-chloroethyl ethyl sulfide|Dtxsid3027295","logHenry":-3.298,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.244,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.708,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.187,"logWSol.Reference":"EPA-CCD-OPERA","MP":-76.78,"MP.Reference":"EPA-CCD-OPERA","MW":124.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"693-07-2"}
{"Compound":"Diisopropylcarbodiimide","CAS":"693-13-0","CAS.Checksum":true,"DTXSID":"DTXSID4025086","Formula":"C7H14N2","All.Compound.Names":"Diisopropylcarbodiimide|Dtxsid4025086|693-13-0","logHenry":-2.787,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.018,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3813,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.892,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.05,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"693-13-0"}
{"Compound":"Dodecanedioic acid","CAS":"693-23-2","CAS.Checksum":true,"DTXSID":"DTXSID3027297","Formula":"C12H22O4","All.Compound.Names":"Dodecanedioic acid|Dtxsid3027297|693-23-2","logHenry":-9.458,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.39,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.765,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.753,"logWSol.Reference":"EPA-CCD-OPERA","MP":127.9,"MP.Reference":"EPA-CCD-OPERA","MW":230.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"693-23-2"}
{"Compound":"2-decanone","CAS":"693-54-9","CAS.Checksum":true,"DTXSID":"DTXSID9022104","Formula":"C10H20O","All.Compound.Names":"2-decanone|Dtxsid9022104","logHenry":-3.628,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.729,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.346,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.314,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.43,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"693-54-9"}
{"Compound":"Nonylbromide","CAS":"693-58-3","CAS.Checksum":true,"DTXSID":"DTXSID7049348","Formula":"C9H19Br","All.Compound.Names":"Nonylbromide|N-nonyl bromide|Dtxsid7049348","logHenry":-2.598,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.973,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2889,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.495,"logWSol.Reference":"EPA-CCD-OPERA","MP":-34.03,"MP.Reference":"EPA-CCD-OPERA","MW":207.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"693-58-3"}
{"Compound":"1-bromoundecane","CAS":"693-67-4","CAS.Checksum":true,"DTXSID":"DTXSID2049349","Formula":"C11H23Br","All.Compound.Names":"1-bromoundecane|Dtxsid2049349","logHenry":-2.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.969,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3638,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.769,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.068,"MP.Reference":"EPA-CCD-OPERA","MW":235.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"693-67-4"}
{"Compound":"4-methylthiazole","CAS":"693-95-8","CAS.Checksum":true,"DTXSID":"DTXSID5027300","Formula":"C4H5NS","All.Compound.Names":"4-methylthiazole|Dtxsid5027300|693-95-8","logHenry":-5.055,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.971,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.914,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5746,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.38,"MP.Reference":"EPA-CCD-OPERA","MW":99.15,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"693-95-8"}
{"Compound":"2-methylimidazole","CAS":"693-98-1","CAS.Checksum":true,"DTXSID":"DTXSID4022107","Formula":"C4H6N2","All.Compound.Names":"2-methylimidazole|Dtxsid4022107|693-98-1","logHenry":-6.193,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2396,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.525,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7593,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.5,"MP.Reference":"EPA-CCD-OPERA","MW":82.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"693-98-1"}
{"Compound":"Brivudine","CAS":"69304-47-8","CAS.Checksum":true,"DTXSID":"DTXSID0045755","Formula":"C11H13BrN2O5","All.Compound.Names":"Brivudine|Dtxsid0045755|69304-47-8","logHenry":-10.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4242,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.709,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.975,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.7,"MP.Reference":"EPA-CCD-OPERA","MW":333.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69304-47-8"}
{"Compound":"Clorprenaline hydrochloride","CAS":"6933-90-0","CAS.Checksum":true,"DTXSID":"DTXSID5046699","Formula":"C11H17Cl2NO","All.Compound.Names":"Clorprenaline hydrochloride|Dtxsid5046699|6933-90-0","logHenry":-6.285,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6246,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.692,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.95,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.9,"MP.Reference":"EPA-CCD-OPERA","MW":250.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6933-90-0"}
{"Compound":"Diisopropyl adipate","CAS":"6938-94-9","CAS.Checksum":true,"DTXSID":"DTXSID5027641","Formula":"C12H22O4","All.Compound.Names":"Diisopropyl adipate|Dtxsid5027641","logHenry":-6.515,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.382,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.923,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.715,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.409,"MP.Reference":"EPA-CCD-OPERA","MW":230.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6938-94-9"}
{"Compound":"Pivoxil sulbactam","CAS":"69388-79-0","CAS.Checksum":true,"DTXSID":"DTXSID4048692","Formula":"C14H21NO7S","All.Compound.Names":"Pivoxil sulbactam|Dtxsid4048692|69388-79-0","logHenry":-9.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.561,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.34,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.735,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.05,"MP.Reference":"EPA-CCD-OPERA","MW":347.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69388-79-0"}
{"Compound":"1,2-cyclohexanediamine","CAS":"694-83-7","CAS.Checksum":true,"DTXSID":"DTXSID0027301","Formula":"C6H14N2","All.Compound.Names":"1,2-cyclohexanediamine|Dtxsid0027301|694-83-7","logHenry":-6.869,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3629,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.956,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7704,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.03,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"694-83-7"}
{"Compound":"1-bromo-4-chlorobutane","CAS":"6940-78-9","CAS.Checksum":true,"DTXSID":"DTXSID1049350","Formula":"C4H8BrCl","All.Compound.Names":"1-bromo-4-chlorobutane|Dtxsid1049350","logHenry":-3.072,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.792,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.085,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.169,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.35,"MP.Reference":"EPA-CCD-OPERA","MW":171.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6940-78-9"}
{"Compound":"Fluvalinate","CAS":"69409-94-5","CAS.Checksum":true,"DTXSID":"DTXSID7024110","Formula":"C26H22ClF3N2O3","All.Compound.Names":"Fluvalinate|Dtxsid7024110|69409-94-5","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.035,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.23,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.322,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.4,"MP.Reference":"EPA-CCD-OPERA","MW":502.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69409-94-5"}
{"Compound":"Gamma-caprolactone","CAS":"695-06-7","CAS.Checksum":true,"DTXSID":"DTXSID8041298","Formula":"C6H10O2","All.Compound.Names":"Gamma-caprolactone|Dtxsid8041298","logHenry":-7.552,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4572,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.977,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.617,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.99,"MP.Reference":"EPA-CCD-OPERA","MW":114.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"695-06-7"}
{"Compound":"4-methylpyridin-2-amine","CAS":"695-34-1","CAS.Checksum":true,"DTXSID":"DTXSID1044720","Formula":"C6H8N2","All.Compound.Names":"4-methylpyridin-2-amine|Dtxsid1044720|695-34-1","logHenry":-6.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5662,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.558,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.18,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.72,"MP.Reference":"EPA-CCD-OPERA","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"695-34-1"}
{"Compound":"Pivagabine","CAS":"69542-93-4","CAS.Checksum":true,"DTXSID":"DTXSID3046162","Formula":"C9H17NO3","All.Compound.Names":"Pivagabine|Dtxsid3046162|69542-93-4","logHenry":-9.211,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7601,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.189,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5336,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.4,"MP.Reference":"EPA-CCD-OPERA","MW":187.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69542-93-4"}
{"Compound":"Thymopentin","CAS":"69558-55-0","CAS.Checksum":true,"DTXSID":"DTXSID9046609","Formula":"C30H49N9O9","All.Compound.Names":"Thymopentin|Dtxsid9046609|69558-55-0","logHenry":-10.61,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9988,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.618,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.483,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.4,"MP.Reference":"EPA-CCD-OPERA","MW":679.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69558-55-0"}
{"Compound":"2-(chloromethyl)pyridine hydrochloride","CAS":"6959-47-3","CAS.Checksum":true,"DTXSID":"DTXSID1020308","Formula":"C6H7Cl2N","All.Compound.Names":"2-(chloromethyl)pyridine hydrochloride|Dtxsid1020308|6959-47-3","logHenry":-4.535,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.06,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.595,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2392,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.01,"MP.Reference":"EPA-CCD-OPERA","MW":164,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6959-47-3"}
{"Compound":"3-(chloromethyl)pyridine hydrochloride","CAS":"6959-48-4","CAS.Checksum":true,"DTXSID":"DTXSID6020309","Formula":"C6H7Cl2N","All.Compound.Names":"3-(chloromethyl)pyridine hydrochloride|Dtxsid6020309|6959-48-4","logHenry":-4.535,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.825,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.36,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2347,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.01,"MP.Reference":"EPA-CCD-OPERA","MW":164,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6959-48-4"}
{"Compound":"Idrocilamide","CAS":"6961-46-2","CAS.Checksum":true,"DTXSID":"DTXSID8046404","Formula":"C11H13NO2","All.Compound.Names":"Idrocilamide|Dtxsid8046404","logHenry":-8.843,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.129,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.027,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.625,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.2,"MP.Reference":"EPA-CCD-OPERA","MW":191.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"51","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.036","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"6961-46-2"}
{"Compound":"2-chlorobenzenesulfonamide","CAS":"6961-82-6","CAS.Checksum":true,"DTXSID":"DTXSID2044979","Formula":"C6H6ClNO2S","All.Compound.Names":"2-chlorobenzenesulfonamide|Dtxsid2044979|6961-82-6","logHenry":-7.649,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7426,"logP.Reference":"EPA-CCD-OPERA","logPwa":7,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.088,"logWSol.Reference":"EPA-CCD-OPERA","MP":164,"MP.Reference":"EPA-CCD-OPERA","MW":191.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6961-82-6"}
{"Compound":"Alpha-(2,5-dichlorophenoxy)propionic acid","CAS":"6965-71-5","CAS.Checksum":true,"DTXSID":"DTXSID5020441","Formula":"C9H8Cl2O3","All.Compound.Names":"Alpha-(2,5-dichlorophenoxy)propionic acid|Dtxsid5020441|6965-71-5","logHenry":-8.521,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.977,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.219,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.65,"logWSol.Reference":"EPA-CCD-OPERA","MP":127,"MP.Reference":"EPA-CCD-OPERA","MW":235.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6965-71-5"}
{"Compound":"Benzenesulfonic acid, c10-14-alkyl derivs., sodium salts","CAS":"69669-44-9","CAS.Checksum":true,"DTXSID":"DTXSID4029806","All.Compound.Names":"Benzenesulfonic acid, c10-14-alkyl derivs., sodium salts","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69669-44-9"}
{"Compound":"Mepiroxol","CAS":"6968-72-5","CAS.Checksum":true,"DTXSID":"DTXSID0046569","Formula":"C6H7NO2","All.Compound.Names":"Mepiroxol|Dtxsid0046569|6968-72-5","logHenry":-7.339,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.02297,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.814,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.726,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.5,"MP.Reference":"EPA-CCD-OPERA","MW":125.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6968-72-5"}
{"Compound":"2,3,5-trimethylphenol","CAS":"697-82-5","CAS.Checksum":true,"DTXSID":"DTXSID3047184","Formula":"C9H12O","All.Compound.Names":"2,3,5-trimethylphenol|Dtxsid3047184|697-82-5","logHenry":-5.876,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.814,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.177,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.249,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.48,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"697-82-5"}
{"Compound":"Delta-octanolactone","CAS":"698-76-0","CAS.Checksum":true,"DTXSID":"DTXSID5047164","Formula":"C8H14O2","All.Compound.Names":"Delta-octanolactone|Dtxsid5047164","logHenry":-7.089,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.945,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.059,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.722,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.239,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"698-76-0"}
{"Compound":"Haloxyfop","CAS":"69806-34-4","CAS.Checksum":true,"DTXSID":"DTXSID7042019","Formula":"C15H11ClF3NO4","All.Compound.Names":"Haloxyfop|Dtxsid7042019|69806-34-4","logHenry":-8.063,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.993,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.62,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.397,"logWSol.Reference":"EPA-CCD-OPERA","MP":107.6,"MP.Reference":"EPA-CCD-OPERA","MW":361.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69806-34-4"}
{"Compound":"Ormetoprim","CAS":"6981-18-6","CAS.Checksum":true,"DTXSID":"DTXSID1046689","Formula":"C14H18N4O2","All.Compound.Names":"Ormetoprim|Dtxsid1046689|6981-18-6","logHenry":-7.874,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.23,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.08,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.256,"logWSol.Reference":"EPA-CCD-OPERA","MP":221.9,"MP.Reference":"EPA-CCD-OPERA","MW":274.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6981-18-6"}
{"Compound":"Bixin","CAS":"6983-79-5","CAS.Checksum":true,"DTXSID":"DTXSID1024629","Formula":"C25H30O4","All.Compound.Names":"Bixin|Dtxsid1024629|6983-79-5","logHenry":-6.645,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.278,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.108,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.908,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.8,"MP.Reference":"EPA-CCD-OPERA","MW":394.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6983-79-5"}
{"Compound":"3-{[3-(dimethylamino)propyl]amino}propanenitrile","CAS":"69852-45-5","CAS.Checksum":true,"DTXSID":"DTXSID1044980","Formula":"C8H17N3","All.Compound.Names":"3-{[3-(dimethylamino)propyl]amino}propanenitrile|Dtxsid1044980|69852-45-5","logHenry":-6.795,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.03501,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.501,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4698,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.61,"MP.Reference":"EPA-CCD-OPERA","MW":155.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69852-45-5"}
{"Compound":"Dioxacarb","CAS":"6988-21-2","CAS.Checksum":true,"DTXSID":"DTXSID2041886","Formula":"C11H13NO4","All.Compound.Names":"Dioxacarb|Dtxsid2041886|6988-21-2","logHenry":-8.713,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6722,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.223,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.567,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.5,"MP.Reference":"EPA-CCD-OPERA","MW":223.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6988-21-2"}
{"Compound":"2-phenylmercaptoethanol","CAS":"699-12-7","CAS.Checksum":true,"DTXSID":"DTXSID1046974","Formula":"C8H10OS","All.Compound.Names":"2-phenylmercaptoethanol|Dtxsid1046974|699-12-7","logHenry":-6.924,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.183,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.555,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.195,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.67,"MP.Reference":"EPA-CCD-OPERA","MW":154.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"699-12-7"}
{"Compound":"Pelubiprofen","CAS":"69956-77-0","CAS.Checksum":true,"DTXSID":"DTXSID2048795","Formula":"C16H18O3","All.Compound.Names":"Pelubiprofen|Dtxsid2048795|69956-77-0","logHenry":-6.468,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.358,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.28,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.135,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.5,"MP.Reference":"EPA-CCD-OPERA","MW":258.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.63","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69956-77-0"}
{"Compound":"Doxofylline","CAS":"69975-86-6","CAS.Checksum":true,"DTXSID":"DTXSID7022968","Formula":"C11H14N4O4","All.Compound.Names":"Doxofylline|Dtxsid7022968|69975-86-6","logHenry":-8.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7555,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.85,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9592,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.7,"MP.Reference":"EPA-CCD-OPERA","MW":266.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69975-86-6"}
{"Compound":"Trifluridine","CAS":"70-00-8","CAS.Checksum":true,"DTXSID":"DTXSID4046602","Formula":"C10H11F3N2O5","All.Compound.Names":"Trifluridine|Dtxsid4046602|70-00-8","logHenry":-10.21,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4601,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.672,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8711,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.5,"MP.Reference":"EPA-CCD-OPERA","MW":296.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70-00-8"}
{"Compound":"Mephenoxalone","CAS":"70-07-5","CAS.Checksum":true,"DTXSID":"DTXSID9023255","Formula":"C11H13NO4","All.Compound.Names":"Mephenoxalone|Dtxsid9023255|70-07-5","logHenry":-9.759,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.24,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.612,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.278,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.6,"MP.Reference":"EPA-CCD-OPERA","MW":223.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70-07-5"}
{"Compound":"Ticlatone","CAS":"70-10-0","CAS.Checksum":true,"DTXSID":"DTXSID8057809","Formula":"C7H4ClNOS","All.Compound.Names":"Ticlatone|Dtxsid8057809|70-10-0","logHenry":-8.134,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.226,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.516,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.367,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.7,"MP.Reference":"EPA-CCD-OPERA","MW":185.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70-10-0"}
{"Compound":"2-bromoacetophenone","CAS":"70-11-1","CAS.Checksum":true,"DTXSID":"DTXSID2049426","Formula":"C8H7BrO","All.Compound.Names":"2-bromoacetophenone|Dtxsid2049426","logHenry":-5.735,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.191,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.673,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.772,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.97,"MP.Reference":"EPA-CCD-OPERA","MW":199,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70-11-1"}
{"Compound":"Glutathione","CAS":"70-18-8","CAS.Checksum":true,"DTXSID":"DTXSID6023101","Formula":"C10H17N3O6S","All.Compound.Names":"Glutathione|Dtxsid6023101|70-18-8","logHenry":-10.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.72,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.19,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1094,"logWSol.Reference":"EPA-CCD-OPERA","MP":195,"MP.Reference":"EPA-CCD-OPERA","MW":307.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70-18-8"}
{"Compound":"N-methyl-n'-nitro-n-nitrosoguanidine","CAS":"70-25-7","CAS.Checksum":true,"DTXSID":"DTXSID2020846","Formula":"C2H5N5O3","All.Compound.Names":"N-methyl-n'-nitro-n-nitrosoguanidine|Methylnitronitrosoguanidine|Dtxsid2020846|70-25-7","logHenry":-7.585,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9665,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.389,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.375,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.9,"MP.Reference":"EPA-CCD-OPERA","MW":147.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70-25-7"}
{"Compound":"1-fluoro-2,4-dinitrobenzene","CAS":"70-34-8","CAS.Checksum":true,"DTXSID":"DTXSID8025331","Formula":"C6H3FN2O4","All.Compound.Names":"1-fluoro-2,4-dinitrobenzene|Dtxsid8025331","logHenry":-5.735,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.695,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.754,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.67,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.02,"MP.Reference":"EPA-CCD-OPERA","MW":186.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70-34-8"}
{"Compound":"4-toluenesulfonamide","CAS":"70-55-3","CAS.Checksum":true,"DTXSID":"DTXSID8029105","Formula":"C7H9NO2S","All.Compound.Names":"4-toluenesulfonamide|Dtxsid8029105|70-55-3","logHenry":-7.678,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.822,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.933,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.718,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.7,"MP.Reference":"EPA-CCD-OPERA","MW":171.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70-55-3"}
{"Compound":"Paroxypropione","CAS":"70-70-2","CAS.Checksum":true,"DTXSID":"DTXSID8023426","Formula":"C9H10O2","All.Compound.Names":"Paroxypropione|Dtxsid8023426|70-70-2","logHenry":-8.696,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.028,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.686,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7483,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.2,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70-70-2"}
{"Compound":"Indole-3-carbinol","CAS":"700-06-1","CAS.Checksum":true,"DTXSID":"DTXSID7031458","Formula":"C9H9NO","All.Compound.Names":"Indole-3-carbinol|Dtxsid7031458|700-06-1","logHenry":-7.161,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.305,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.651,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.573,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.5,"MP.Reference":"EPA-CCD-OPERA","MW":147.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"700-06-1"}
{"Compound":"2,3,5-trimethylhydroquinone","CAS":"700-13-0","CAS.Checksum":true,"DTXSID":"DTXSID7052446","Formula":"C9H12O2","All.Compound.Names":"2,3,5-trimethylhydroquinone|Dtxsid7052446|700-13-0","logHenry":-6.755,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.69,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4585,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.2,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"700-13-0"}
{"Compound":"Quazinone","CAS":"70018-51-8","CAS.Checksum":true,"DTXSID":"DTXSID6045795","Formula":"C11H10ClN3O","All.Compound.Names":"Quazinone|Dtxsid6045795|70018-51-8","logHenry":-9.485,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.356,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.477,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.922,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.1,"MP.Reference":"EPA-CCD-OPERA","MW":235.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70018-51-8"}
{"Compound":"2-(dimethylamino)-2-methylpropan-1-ol","CAS":"7005-47-2","CAS.Checksum":true,"DTXSID":"DTXSID6044721","Formula":"C6H15NO","All.Compound.Names":"2-(dimethylamino)-2-methylpropan-1-ol|Dtxsid6044721|7005-47-2","logHenry":-6.118,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2906,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.016,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9294,"logWSol.Reference":"EPA-CCD-OPERA","MP":19,"MP.Reference":"EPA-CCD-OPERA","MW":117.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7005-47-2"}
{"Compound":"1-chloro-4-phenoxybenzene","CAS":"7005-72-3","CAS.Checksum":true,"DTXSID":"DTXSID2052447","Formula":"C12H9ClO","All.Compound.Names":"1-chloro-4-phenoxybenzene|4-chlorodiphenyl ether|Dtxsid2052447","logHenry":-4.044,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.56,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.619,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.98,"MP.Reference":"EPA-CCD-OPERA","MW":204.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7005-72-3"}
{"Compound":"Crotoniazide","CAS":"7007-96-7","CAS.Checksum":true,"DTXSID":"DTXSID8046113","Formula":"C10H11N3O","All.Compound.Names":"Crotoniazide|Dtxsid8046113|7007-96-7","logHenry":-8.367,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.525,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.597,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.073,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.95,"MP.Reference":"EPA-CCD-OPERA","MW":189.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7007-96-7"}
{"Compound":"Phenyl dihydrogen phosphate","CAS":"701-64-4","CAS.Checksum":true,"DTXSID":"DTXSID6044981","Formula":"C6H7O4P","All.Compound.Names":"Phenyl dihydrogen phosphate|Dtxsid6044981|701-64-4","logHenry":-7.452,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5155,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.441,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3437,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.9,"MP.Reference":"EPA-CCD-OPERA","MW":174.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"701-64-4"}
{"Compound":"2(3h)-furanone, 5-hexyldihydro-5-methyl-","CAS":"7011-83-8","CAS.Checksum":true,"DTXSID":"DTXSID3041299","Formula":"C11H20O2","All.Compound.Names":"2(3h)-furanone, 5-hexyldihydro-5-methyl-|Dihydrojasmone lactone|Dtxsid3041299","logHenry":-4.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.35,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.009,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.708,"logWSol.Reference":"EPA-CCD-OPERA","MP":7.429,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7011-83-8"}
{"Compound":"Flucythrinate","CAS":"70124-77-5","CAS.Checksum":true,"DTXSID":"DTXSID0022301","Formula":"C26H23F2NO4","All.Compound.Names":"Flucythrinate|Dtxsid0022301","logHenry":-7.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.199,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.491,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.574,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.4,"MP.Reference":"EPA-CCD-OPERA","MW":451.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70124-77-5"}
{"Compound":"Trihexyltetradecylphosphonium dicyanamide","CAS":"701921-71-3","CAS.Checksum":true,"DTXSID":"DTXSID6049351","Formula":"C34H68N3P","All.Compound.Names":"Trihexyltetradecylphosphonium dicyanamide","MW":549.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"701921-71-3"}
{"Compound":"4-methoxybenzeneethanol","CAS":"702-23-8","CAS.Checksum":true,"DTXSID":"DTXSID5041518","Formula":"C9H12O2","All.Compound.Names":"4-methoxybenzeneethanol|Dtxsid5041518|702-23-8","logHenry":-6.52,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.458,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.043,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.411,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.35,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"702-23-8"}
{"Compound":"Methoxyphenylacetic acid","CAS":"7021-09-2","CAS.Checksum":true,"DTXSID":"DTXSID9020829","Formula":"C9H10O3","All.Compound.Names":"Methoxyphenylacetic acid|2-methoxy-2-phenylacetic acid|Dtxsid9020829|7021-09-2","logHenry":-7.988,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.332,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.186,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.82,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.18,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7021-09-2"}
{"Compound":"Potassium 4-[(3-oxobutanoyl)amino]benzenesulfonate","CAS":"70321-85-6","CAS.Checksum":true,"DTXSID":"DTXSID1044722","Formula":"C10H10KNO5S","All.Compound.Names":"Potassium 4-[(3-oxobutanoyl)amino]benzenesulfonate|Potassium 4-acetoacetylaminobenzenesulphonate|Dtxsid1044722|70321-85-6","logHenry":-11.14,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.932,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.05,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5543,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.5,"MP.Reference":"EPA-CCD-OPERA","MW":295.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70321-85-6"}
{"Compound":"1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione","CAS":"70356-09-1","CAS.Checksum":true,"DTXSID":"DTXSID9044829","Formula":"C20H22O3","All.Compound.Names":"1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione|Dtxsid9044829","logHenry":-7.475,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.533,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.731,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.987,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.57,"MP.Reference":"EPA-CCD-OPERA","MW":310.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70356-09-1"}
{"Compound":"Propoxate","CAS":"7036-58-0","CAS.Checksum":true,"DTXSID":"DTXSID7057810","Formula":"C15H18N2O2","All.Compound.Names":"Propoxate|Dtxsid7057810|7036-58-0","logHenry":-7.763,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.069,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.885,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.203,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.19,"MP.Reference":"EPA-CCD-OPERA","MW":258.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7036-58-0"}
{"Compound":"Lornoxicam","CAS":"70374-39-9","CAS.Checksum":true,"DTXSID":"DTXSID6046133","Formula":"C13H10ClN3O4S2","All.Compound.Names":"Lornoxicam|Dtxsid6046133|70374-39-9","logHenry":-9.228,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.62,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.766,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.116,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.4,"MP.Reference":"EPA-CCD-OPERA","MW":371.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70374-39-9"}
{"Compound":"Peplomycin sulfate","CAS":"70384-29-1","CAS.Checksum":true,"DTXSID":"DTXSID7048613","Formula":"C61H90N18O25S3","All.Compound.Names":"Peplomycin sulfate|Dtxsid7048613|70384-29-1","logHenry":-10.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8627,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.787,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.564,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.7,"MP.Reference":"EPA-CCD-OPERA","MW":1572,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70384-29-1"}
{"Compound":"Pefloxacin mesylate","CAS":"70458-95-6","CAS.Checksum":true,"DTXSID":"DTXSID8045935","Formula":"C18H24FN3O6S","All.Compound.Names":"Pefloxacin mesylate|Dtxsid8045935|70458-95-6","logHenry":-8.795,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.319,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.21,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.33,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.1,"MP.Reference":"EPA-CCD-OPERA","MW":429.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.17","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"-1.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70458-95-6"}
{"Compound":"Aluminum monostearate","CAS":"7047-84-9","CAS.Checksum":true,"DTXSID":"DTXSID9048697","Formula":"C18H37AlO4","All.Compound.Names":"Aluminum monostearate","MW":344.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7047-84-9"}
{"Compound":"Mitoxantrone dihydrochloride","CAS":"70476-82-3","CAS.Checksum":true,"DTXSID":"DTXSID0045173","Formula":"C22H30Cl2N4O6","All.Compound.Names":"Mitoxantrone dihydrochloride|Dtxsid0045173|70476-82-3","logHenry":-10.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1764,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.752,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.841,"logWSol.Reference":"EPA-CCD-OPERA","MP":204,"MP.Reference":"EPA-CCD-OPERA","MW":517.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70476-82-3"}
{"Compound":"(2-nitro-1-propenyl)benzene","CAS":"705-60-2","CAS.Checksum":true,"DTXSID":"DTXSID1041188","Formula":"C9H9NO2","All.Compound.Names":"(2-nitro-1-propenyl)benzene|1-phenyl-2-nitropropene|Dtxsid1041188","logHenry":-6.069,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.52,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.541,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.868,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.37,"MP.Reference":"EPA-CCD-OPERA","MW":163.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"705-60-2"}
{"Compound":"6-pentyltetrahydro-2h-pyran-2-one","CAS":"705-86-2","CAS.Checksum":true,"DTXSID":"DTXSID0044496","Formula":"C10H18O2","All.Compound.Names":"6-pentyltetrahydro-2h-pyran-2-one|Dtxsid0044496","logHenry":-6.33,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.01,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.819,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.845,"logWSol.Reference":"EPA-CCD-OPERA","MP":3.646,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"705-86-2"}
{"Compound":"4-butylcyclohexanol","CAS":"70568-60-4","CAS.Checksum":true,"DTXSID":"DTXSID6048204","Formula":"C10H20O","All.Compound.Names":"4-butylcyclohexanol|Dtxsid6048204|70568-60-4","logHenry":-4.668,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.138,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.433,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.915,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.02,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70568-60-4"}
{"Compound":"Chromomycin a3","CAS":"7059-24-7","CAS.Checksum":true,"DTXSID":"DTXSID4046363","Formula":"C57H82O26","All.Compound.Names":"Chromomycin a3|Dtxsid4046363|7059-24-7","logHenry":-8.12,"logHenry.Reference":"OPERA29","logP":0.85,"logP.Reference":"OPERA29","logWSol":-3.44,"logWSol.Reference":"OPERA29","MP":221,"MP.Reference":"OPERA29","MW":1183,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.42","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7059-24-7"}
{"Compound":"Gamma-decanolactone","CAS":"706-14-9","CAS.Checksum":true,"DTXSID":"DTXSID4022109","Formula":"C10H18O2","All.Compound.Names":"Gamma-decanolactone|Dtxsid4022109","logHenry":-6.359,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.722,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.107,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.897,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.909,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"706-14-9"}
{"Compound":"Oleandomycin phosphate","CAS":"7060-74-4","CAS.Checksum":true,"DTXSID":"DTXSID9045398","Formula":"C35H64NO16P","All.Compound.Names":"Oleandomycin phosphate|Dtxsid9045398|7060-74-4","logHenry":-8.166,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5295,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.993,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.341,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.8,"MP.Reference":"EPA-CCD-OPERA","MW":785.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7060-74-4"}
{"Compound":"Metalaxyl-m","CAS":"70630-17-0","CAS.Checksum":true,"DTXSID":"DTXSID8032671","Formula":"C15H21NO4","All.Compound.Names":"Metalaxyl-m|Dtxsid8032671|70630-17-0","logHenry":-8.406,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.65,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.187,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.36,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.3,"MP.Reference":"EPA-CCD-OPERA","MW":279.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70630-17-0"}
{"Compound":"Edelfosine","CAS":"70641-51-9","CAS.Checksum":true,"DTXSID":"DTXSID9045766","Formula":"C27H58NO6P","All.Compound.Names":"Edelfosine|Dtxsid9045766|70641-51-9","logHenry":-6.398,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.71,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.97,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.112,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.35,"MP.Reference":"EPA-CCD-OPERA","MW":523.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.94,1.75,8.87","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"70641-51-9"}
{"Compound":"2-amino-n-cyclohexyl-n-methylbenzenesulfonamide","CAS":"70693-59-3","CAS.Checksum":true,"DTXSID":"DTXSID1044982","Formula":"C13H20N2O2S","All.Compound.Names":"2-amino-n-cyclohexyl-n-methylbenzenesulfonamide|Dtxsid1044982|70693-59-3","logHenry":-7.831,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.431,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.535,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.669,"logWSol.Reference":"EPA-CCD-OPERA","MP":129,"MP.Reference":"EPA-CCD-OPERA","MW":268.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70693-59-3"}
{"Compound":"2,3-dihydro-4-methyl-1-phenyl-1h-phosphole 1-oxide","CAS":"707-61-9","CAS.Checksum":true,"DTXSID":"DTXSID0051497","Formula":"C11H13OP","All.Compound.Names":"2,3-dihydro-4-methyl-1-phenyl-1h-phosphole 1-oxide|Dtxsid0051497","logHenry":-7.055,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.939,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.442,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.065,"logWSol.Reference":"EPA-CCD-OPERA","MP":111.3,"MP.Reference":"EPA-CCD-OPERA","MW":192.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"707-61-9"}
{"Compound":"Trolnitrate","CAS":"7077-34-1","CAS.Checksum":true,"DTXSID":"DTXSID7023722","Formula":"C6H12N4O9","All.Compound.Names":"Trolnitrate|Dtxsid7023722|7077-34-1","logHenry":-5.564,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9214,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.826,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.798,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.46,"MP.Reference":"EPA-CCD-OPERA","MW":284.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7077-34-1"}
{"Compound":"Flurofamide","CAS":"70788-28-2","CAS.Checksum":true,"DTXSID":"DTXSID2045654","Formula":"C7H9FN3O2P","All.Compound.Names":"Flurofamide|Dtxsid2045654|70788-28-2","logHenry":-8.21,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5035,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.816,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.446,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.1,"MP.Reference":"EPA-CCD-OPERA","MW":217.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70788-28-2"}
{"Compound":"Chloramine-t trihydrate","CAS":"7080-50-4","CAS.Checksum":true,"DTXSID":"DTXSID6040795","Formula":"C7H13ClNNaO5S","All.Compound.Names":"Chloramine-t trihydrate|Dtxsid6040795|7080-50-4","logHenry":-7.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.054,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.767,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.415,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.3,"MP.Reference":"EPA-CCD-OPERA","MW":281.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7080-50-4"}
{"Compound":"Terodiline hydrochloride","CAS":"7082-21-5","CAS.Checksum":true,"DTXSID":"DTXSID1048968","Formula":"C20H28ClN","All.Compound.Names":"Terodiline hydrochloride|Dtxsid1048968|7082-21-5","logHenry":-5.343,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7233,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.888,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.993,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.3,"MP.Reference":"EPA-CCD-OPERA","MW":317.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7082-21-5"}
{"Compound":"L-cichoric acid","CAS":"70831-56-0","CAS.Checksum":true,"DTXSID":"DTXSID0033332","Formula":"C22H18O12","All.Compound.Names":"L-cichoric acid|Dtxsid0033332|70831-56-0","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.294,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.238,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.072,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.5,"MP.Reference":"EPA-CCD-OPERA","MW":474.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70831-56-0"}
{"Compound":"Troxerutin","CAS":"7085-55-4","CAS.Checksum":true,"DTXSID":"DTXSID4045929","Formula":"C33H42O19","All.Compound.Names":"Troxerutin|Dtxsid4045929|7085-55-4","logHenry":-10.72,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4617,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.142,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.147,"logWSol.Reference":"EPA-CCD-OPERA","MP":227.3,"MP.Reference":"EPA-CCD-OPERA","MW":742.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7085-55-4"}
{"Compound":"Ethyl cyanoacrylate","CAS":"7085-85-0","CAS.Checksum":true,"DTXSID":"DTXSID1025279","Formula":"C6H7NO2","All.Compound.Names":"Ethyl cyanoacrylate|Dtxsid1025279","logHenry":-6.402,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9231,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.808,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.05122,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.07,"MP.Reference":"EPA-CCD-OPERA","MW":125.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7085-85-0"}
{"Compound":"1,3-didecyl-2-methylimidazolium chloride","CAS":"70862-65-6","CAS.Checksum":true,"DTXSID":"DTXSID1049352","Formula":"C24H47ClN2","All.Compound.Names":"1,3-didecyl-2-methylimidazolium chloride|Dtxsid1049352|70862-65-6","logHenry":-6.076,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.698,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.025,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.064,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.7,"MP.Reference":"EPA-CCD-OPERA","MW":399.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70862-65-6"}
{"Compound":"1-propanol","CAS":"71-23-8","CAS.Checksum":true,"DTXSID":"DTXSID2021739","Formula":"C3H8O","All.Compound.Names":"1-propanol|Dtxsid2021739|71-23-8","logHenry":-5.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2487,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.461,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.019,"logWSol.Reference":"EPA-CCD-OPERA","MP":-126,"MP.Reference":"EPA-CCD-OPERA","MW":60.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71-23-8"}
{"Compound":"Succinylcholine chloride","CAS":"71-27-2","CAS.Checksum":true,"DTXSID":"DTXSID1023603","Formula":"C14H30Cl2N2O4","All.Compound.Names":"Succinylcholine chloride|Dtxsid1023603|71-27-2","logHenry":-7.169,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6985,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.559,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.725,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.9,"MP.Reference":"EPA-CCD-OPERA","MW":361.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71-27-2"}
{"Compound":"Cytosine","CAS":"71-30-7","CAS.Checksum":true,"DTXSID":"DTXSID4044456","Formula":"C4H5N3O","All.Compound.Names":"Cytosine|Dtxsid4044456|71-30-7","logHenry":-7.288,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.728,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.416,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.144,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.8,"MP.Reference":"EPA-CCD-OPERA","MW":111.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71-30-7"}
{"Compound":"1-butanol","CAS":"71-36-3","CAS.Checksum":true,"DTXSID":"DTXSID1021740","Formula":"C4H10O","All.Compound.Names":"1-butanol|Dtxsid1021740|71-36-3","logHenry":-5.054,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8795,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.299,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.02225,"logWSol.Reference":"EPA-CCD-OPERA","MP":-89.9,"MP.Reference":"EPA-CCD-OPERA","MW":74.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71-36-3"}
{"Compound":"1-pentanol","CAS":"71-41-0","CAS.Checksum":true,"DTXSID":"DTXSID6021741","Formula":"C5H12O","All.Compound.Names":"1-pentanol|Dtxsid6021741|71-41-0","logHenry":-4.886,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.533,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.129,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6013,"logWSol.Reference":"EPA-CCD-OPERA","MP":-79.12,"MP.Reference":"EPA-CCD-OPERA","MW":88.15,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71-41-0"}
{"Compound":"Cobalt(ii) acetate","CAS":"71-48-7","CAS.Checksum":true,"DTXSID":"DTXSID6026373","Formula":"C4H6CoO4","All.Compound.Names":"Cobalt(ii) acetate|Dtxsid6026373|71-48-7","logHenry":-6.998,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.535,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.765,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":261,"MP.Reference":"EPA-CCD-OPERA","MW":177,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71-48-7"}
{"Compound":"1,1,1-trichloroethane","CAS":"71-55-6","CAS.Checksum":true,"DTXSID":"DTXSID0021381","Formula":"C2H3Cl3","All.Compound.Names":"1,1,1-trichloroethane|Dtxsid0021381","logHenry":-1.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.49,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2333,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.992,"logWSol.Reference":"EPA-CCD-OPERA","MP":-30.57,"MP.Reference":"EPA-CCD-OPERA","MW":133.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.1203","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.6658","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"0.6521","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.2801","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"71-55-6"}
{"Compound":"Medroxyprogesterone acetate","CAS":"71-58-9","CAS.Checksum":true,"DTXSID":"DTXSID0025527","Formula":"C24H34O4","All.Compound.Names":"Medroxyprogesterone acetate|71-58-9|Dtxsid0025527","logHenry":-7.463,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.331,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.387,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.006,"logWSol.Reference":"EPA-CCD-OPERA","MP":206,"MP.Reference":"EPA-CCD-OPERA","MW":386.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.1,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"71-58-9"}
{"Compound":"Sulfobromophthalein","CAS":"71-67-0","CAS.Checksum":true,"DTXSID":"DTXSID9023621","Formula":"C20H8Br4Na2O10S2","All.Compound.Names":"Sulfobromophthalein|Dtxsid9023621|71-67-0","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8316,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.688,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9843,"logWSol.Reference":"EPA-CCD-OPERA","MP":221,"MP.Reference":"EPA-CCD-OPERA","MW":838,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71-67-0"}
{"Compound":"Thiopental sodium","CAS":"71-73-8","CAS.Checksum":true,"DTXSID":"DTXSID1021744","Formula":"C11H17N2NaO2S","All.Compound.Names":"Thiopental sodium|Dtxsid1021744|71-73-8","logHenry":-8.288,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.531,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.043,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.357,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.9,"MP.Reference":"EPA-CCD-OPERA","MW":264.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71-73-8"}
{"Compound":"Tetraethylammonium bromide","CAS":"71-91-0","CAS.Checksum":true,"DTXSID":"DTXSID9044457","Formula":"C8H20BrN","All.Compound.Names":"Tetraethylammonium bromide|Dtxsid9044457|71-91-0","logHenry":-0.911,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.073,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.684,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4229,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.4,"MP.Reference":"EPA-CCD-OPERA","MW":210.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71-91-0"}
{"Compound":"Undecanoic delta-lactone","CAS":"710-04-3","CAS.Checksum":true,"DTXSID":"DTXSID9047099","Formula":"C11H20O2","All.Compound.Names":"Undecanoic delta-lactone|6-hexyltetrahydro-2h-pyran-2-one|Dtxsid9047099","logHenry":-5.801,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.445,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.274,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.707,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.6849,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"710-04-3"}
{"Compound":"Methotrimeprazine maleate","CAS":"7104-38-3","CAS.Checksum":true,"DTXSID":"DTXSID4045399","Formula":"C23H28N2O5S","All.Compound.Names":"Methotrimeprazine maleate|Dtxsid4045399|7104-38-3","logHenry":-5.471,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6664,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.665,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.21,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.7,"MP.Reference":"EPA-CCD-OPERA","MW":444.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7104-38-3"}
{"Compound":"Quadrisol","CAS":"71109-09-6","CAS.Checksum":true,"DTXSID":"DTXSID5049077","Formula":"C19H22O2","All.Compound.Names":"Quadrisol|Dtxsid5049077|71109-09-6","logHenry":-6.381,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.054,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.811,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.831,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.7,"MP.Reference":"EPA-CCD-OPERA","MW":282.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71109-09-6"}
{"Compound":"Bucindolol","CAS":"71119-11-4","CAS.Checksum":true,"DTXSID":"DTXSID3046744","Formula":"C22H25N3O2","All.Compound.Names":"Bucindolol|71119-11-4|Dtxsid3046744","logHenry":-8.954,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.263,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.06,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.594,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.6,"MP.Reference":"EPA-CCD-OPERA","MW":363.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.3,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"71119-11-4"}
{"Compound":"Bromodichloroacetic acid","CAS":"71133-14-7","CAS.Checksum":true,"DTXSID":"DTXSID4024644","Formula":"C2HBrCl2O2","All.Compound.Names":"Bromodichloroacetic acid|Dtxsid4024644|71133-14-7","logHenry":-8.136,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.47,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.487,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2193,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.67,"MP.Reference":"EPA-CCD-OPERA","MW":207.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71133-14-7"}
{"Compound":"Cyclohexylphenylketone","CAS":"712-50-5","CAS.Checksum":true,"DTXSID":"DTXSID5048182","Formula":"C13H16O","All.Compound.Names":"Cyclohexylphenylketone|Dtxsid5048182","logHenry":-4.318,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.119,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.973,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.059,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.8,"MP.Reference":"EPA-CCD-OPERA","MW":188.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"712-50-5"}
{"Compound":"Tocainide hydrochloride","CAS":"71395-14-7","CAS.Checksum":true,"DTXSID":"DTXSID5045540","Formula":"C11H17ClN2O","All.Compound.Names":"Tocainide hydrochloride|Dtxsid5045540|71395-14-7","logHenry":-8.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.046,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.229,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.164,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.4,"MP.Reference":"EPA-CCD-OPERA","MW":228.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71395-14-7"}
{"Compound":"Chlorfluazuron","CAS":"71422-67-8","CAS.Checksum":true,"DTXSID":"DTXSID5041772","Formula":"C20H9Cl3F5N3O3","All.Compound.Names":"Chlorfluazuron|Dtxsid5041772|71422-67-8","logHenry":-11.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.799,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.86,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.53,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.8,"MP.Reference":"EPA-CCD-OPERA","MW":540.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.64","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71422-67-8"}
{"Compound":"Arotinoid acid","CAS":"71441-28-6","CAS.Checksum":true,"DTXSID":"DTXSID6040743","Formula":"C24H28O2","All.Compound.Names":"Arotinoid acid|4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthenyl)-1e-propen-1-yl)benzoic acid|Dtxsid6040743|71441-28-6","logHenry":-8.249,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.491,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.987,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.283,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.4,"MP.Reference":"EPA-CCD-OPERA","MW":348.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71441-28-6"}
{"Compound":"Lozilurea","CAS":"71475-35-9","CAS.Checksum":true,"DTXSID":"DTXSID8046163","Formula":"C10H13ClN2O","All.Compound.Names":"Lozilurea|Dtxsid8046163|71475-35-9","logHenry":-8.68,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.075,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.294,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5325,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.3,"MP.Reference":"EPA-CCD-OPERA","MW":212.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71475-35-9"}
{"Compound":"Linalyl anthranilate","CAS":"7149-26-0","CAS.Checksum":true,"DTXSID":"DTXSID2025503","Formula":"C17H23NO2","All.Compound.Names":"Linalyl anthranilate|Dtxsid2025503|7149-26-0","logHenry":-8.908,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.033,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.598,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.138,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.26,"MP.Reference":"EPA-CCD-OPERA","MW":273.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7149-26-0"}
{"Compound":"N-(3-chloro-4-methylphenyl)acetamide","CAS":"7149-79-3","CAS.Checksum":true,"DTXSID":"DTXSID8042181","Formula":"C9H10ClNO","All.Compound.Names":"N-(3-chloro-4-methylphenyl)acetamide|Dtxsid8042181|7149-79-3","logHenry":-8.238,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.675,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.587,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.551,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.3,"MP.Reference":"EPA-CCD-OPERA","MW":183.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7149-79-3"}
{"Compound":"4-(dimethylamino)phenylthiocyanate","CAS":"7152-80-9","CAS.Checksum":true,"DTXSID":"DTXSID4042252","Formula":"C9H10N2S","All.Compound.Names":"4-(dimethylamino)phenylthiocyanate|Dtxsid4042252|7152-80-9","logHenry":-5.024,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.221,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.835,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.226,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.75,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7152-80-9"}
{"Compound":"Mon-4660","CAS":"71526-07-3","CAS.Checksum":true,"DTXSID":"DTXSID0044575","Formula":"C10H15Cl2NO2","All.Compound.Names":"Mon-4660|Dtxsid0044575|71526-07-3","logHenry":-7.594,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.398,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.044,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.261,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.49,"MP.Reference":"EPA-CCD-OPERA","MW":252.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71526-07-3"}
{"Compound":"Glyceryl 1-(2-aminobenzoate)","CAS":"71574-35-1","CAS.Checksum":true,"DTXSID":"DTXSID2057811","Formula":"C10H13NO4","All.Compound.Names":"Glyceryl 1-(2-aminobenzoate)|Dtxsid2057811|71574-35-1","logHenry":-8.033,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.028,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.354,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.566,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.5,"MP.Reference":"EPA-CCD-OPERA","MW":211.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71574-35-1"}
{"Compound":"2-phenylbenzimidazole","CAS":"716-79-0","CAS.Checksum":true,"DTXSID":"DTXSID5052460","Formula":"C13H10N2","All.Compound.Names":"2-phenylbenzimidazole|Dtxsid5052460|716-79-0","logHenry":-7.167,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.24,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.9,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.912,"logWSol.Reference":"EPA-CCD-OPERA","MP":292.2,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"716-79-0"}
{"Compound":"Trifluomeprazine 2-butenedioate","CAS":"71609-19-3","CAS.Checksum":true,"DTXSID":"DTXSID2046886","Formula":"C23H25F3N2O4S","All.Compound.Names":"Trifluomeprazine 2-butenedioate|Dtxsid2046886|71609-19-3","logHenry":-5.501,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.667,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.159,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.081,"logWSol.Reference":"EPA-CCD-OPERA","MP":157,"MP.Reference":"EPA-CCD-OPERA","MW":482.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71609-19-3"}
{"Compound":"Amiloxate","CAS":"71617-10-2","CAS.Checksum":true,"DTXSID":"DTXSID1046055","Formula":"C15H20O3","All.Compound.Names":"Amiloxate|Dtxsid1046055","logHenry":-7.729,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.342,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.039,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.03,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.54,"MP.Reference":"EPA-CCD-OPERA","MW":248.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71617-10-2"}
{"Compound":"Benalaxyl","CAS":"71626-11-4","CAS.Checksum":true,"DTXSID":"DTXSID3041619","Formula":"C20H23NO3","All.Compound.Names":"Benalaxyl|Dtxsid3041619|71626-11-4","logHenry":-7.885,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.401,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.125,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.986,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.03,"MP.Reference":"EPA-CCD-OPERA","MW":325.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71626-11-4"}
{"Compound":"Riodipine","CAS":"71653-63-9","CAS.Checksum":true,"DTXSID":"DTXSID5046148","Formula":"C18H19F2NO5","All.Compound.Names":"Riodipine|Dtxsid5046148|71653-63-9","logHenry":-7.937,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.21,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.424,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.271,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.89,"MP.Reference":"EPA-CCD-OPERA","MW":367.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71653-63-9"}
{"Compound":"Amisulpride","CAS":"71675-85-9","CAS.Checksum":true,"DTXSID":"DTXSID5042613","Formula":"C17H27N3O4S","All.Compound.Names":"Amisulpride|71675-85-9|Dtxsid5042613","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.099,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.385,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.114,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.5,"MP.Reference":"EPA-CCD-OPERA","MW":369.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.56,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.85,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.48,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"71675-85-9"}
{"Compound":"1,3,5-triisopropylbenzene","CAS":"717-74-8","CAS.Checksum":true,"DTXSID":"DTXSID4041232","Formula":"C15H24","All.Compound.Names":"1,3,5-triisopropylbenzene|Dtxsid4041232","logHenry":-2.246,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.279,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3462,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.831,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.622,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"717-74-8"}
{"Compound":"Fenoprofen calcium salt dihydrate","CAS":"71720-56-4","CAS.Checksum":true,"DTXSID":"DTXSID6045587","Formula":"C30H30CaO8","All.Compound.Names":"Fenoprofen calcium|Fenoprofen calcium salt dihydrate|Dtxsid6045587|71720-56-4","logHenry":-8.926,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1437,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.717,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.096,"logWSol.Reference":"EPA-CCD-OPERA","MP":144,"MP.Reference":"EPA-CCD-OPERA","MW":558.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71720-56-4"}
{"Compound":"Tiquizium bromide","CAS":"71731-58-3","CAS.Checksum":true,"DTXSID":"DTXSID2046757","Formula":"C19H24BrNS2","All.Compound.Names":"Tiquizium bromide|Dtxsid2046757|71731-58-3","logHenry":-4.332,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9623,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.88,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.539,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.2,"MP.Reference":"EPA-CCD-OPERA","MW":410.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71731-58-3"}
{"Compound":"Nafcillin sodium monohydrate","CAS":"7177-50-6","CAS.Checksum":true,"DTXSID":"DTXSID7045570","Formula":"C21H23N2NaO6S","All.Compound.Names":"Nafcillin sodium monohydrate|Dtxsid7045570|7177-50-6","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.555,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.082,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.545,"logWSol.Reference":"EPA-CCD-OPERA","MP":208.3,"MP.Reference":"EPA-CCD-OPERA","MW":454.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7177-50-6"}
{"Compound":"Denopamine","CAS":"71771-90-9","CAS.Checksum":true,"DTXSID":"DTXSID8045800","Formula":"C18H23NO4","All.Compound.Names":"Denopamine|Dtxsid8045800|71771-90-9","logHenry":-9.851,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.602,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.663,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.31,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.6,"MP.Reference":"EPA-CCD-OPERA","MW":317.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.45","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71771-90-9"}
{"Compound":"Ivermectin b1a","CAS":"71827-03-7","CAS.Checksum":true,"DTXSID":"DTXSID8023181","Formula":"C48H74O14","All.Compound.Names":"Ivermectin b1a|Dtxsid8023181|71827-03-7","logHenry":-9.838,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.703,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.917,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.461,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.2,"MP.Reference":"EPA-CCD-OPERA","MW":875.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71827-03-7"}
{"Compound":"1-propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-4-morpholinyl)-","CAS":"71868-10-5","CAS.Checksum":true,"DTXSID":"DTXSID8038857","Formula":"C15H21NO2S","All.Compound.Names":"1-propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-4-morpholinyl)-|2-methyl-4'-(methylthio)-2-morpholinopropiophenone|Dtxsid8038857|71868-10-5","logHenry":-7.804,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.47,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.715,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.724,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.09,"MP.Reference":"EPA-CCD-OPERA","MW":279.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71868-10-5"}
{"Compound":"1,2-benzenedicarboxylic acid, di-c6-8-branched alkyl esters, c7-rich","CAS":"71888-89-6","CAS.Checksum":true,"DTXSID":"DTXSID9029017","All.Compound.Names":"1,2-benzenedicarboxylic acid, di-c6-8-branched alkyl esters, c7-rich","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71888-89-6"}
{"Compound":"2,6-bis-(1,1-dimethylethyl)-2,5-cyclohexadiene-1,4-dione","CAS":"719-22-2","CAS.Checksum":true,"DTXSID":"DTXSID7021493","Formula":"C14H20O2","All.Compound.Names":"2,6-bis-(1,1-dimethylethyl)-2,5-cyclohexadiene-1,4-dione|Dtxsid7021493","logHenry":-3.259,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.419,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.908,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.401,"logWSol.Reference":"EPA-CCD-OPERA","MP":66.08,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"719-22-2"}
{"Compound":"2,3,5,6-tetrachlorobenzene-1,4-dicarbonyl dichloride","CAS":"719-32-4","CAS.Checksum":true,"DTXSID":"DTXSID5027302","Formula":"C8Cl6O2","All.Compound.Names":"2,3,5,6-tetrachlorobenzene-1,4-dicarbonyl dichloride|Dtxsid5027302","logHenry":-6.748,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.481,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.302,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.321,"logWSol.Reference":"EPA-CCD-OPERA","MP":241.7,"MP.Reference":"EPA-CCD-OPERA","MW":340.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"719-32-4"}
{"Compound":"2-amino-5-chlorobenzophenone","CAS":"719-59-5","CAS.Checksum":true,"DTXSID":"DTXSID0052463","Formula":"C13H10ClNO","All.Compound.Names":"2-amino-5-chlorobenzophenone|Dtxsid0052463|719-59-5","logHenry":-9.553,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.237,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.05,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.278,"logWSol.Reference":"EPA-CCD-OPERA","MP":99.02,"MP.Reference":"EPA-CCD-OPERA","MW":231.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"719-59-5"}
{"Compound":"Mefruside","CAS":"7195-27-9","CAS.Checksum":true,"DTXSID":"DTXSID0048844","Formula":"C13H19ClN2O5S2","All.Compound.Names":"Mefruside|Dtxsid0048844|7195-27-9","logHenry":-9.551,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.541,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.735,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.828,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.2,"MP.Reference":"EPA-CCD-OPERA","MW":382.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7195-27-9"}
{"Compound":"Artemether","CAS":"71963-77-4","CAS.Checksum":true,"DTXSID":"DTXSID7040651","Formula":"C16H26O5","All.Compound.Names":"Artemether|71963-77-4|Dtxsid7040651","logHenry":-6.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.529,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.482,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.473,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.64,"MP.Reference":"EPA-CCD-OPERA","MW":298.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.58,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"71963-77-4"}
{"Compound":"Cyheptamide","CAS":"7199-29-3","CAS.Checksum":true,"DTXSID":"DTXSID6046551","Formula":"C16H15NO","All.Compound.Names":"Cyheptamide|Dtxsid6046551|7199-29-3","logHenry":-9.808,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.258,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.733,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.691,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.5,"MP.Reference":"EPA-CCD-OPERA","MW":237.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7199-29-3"}
{"Compound":"L-threonine","CAS":"72-19-5","CAS.Checksum":true,"DTXSID":"DTXSID2046412","Formula":"C4H9NO3","All.Compound.Names":"L-threonine|Dtxsid2046412|72-19-5","logHenry":-8.294,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.939,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.707,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.02921,"logWSol.Reference":"EPA-CCD-OPERA","MP":221.7,"MP.Reference":"EPA-CCD-OPERA","MW":119.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.61","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72-19-5"}
{"Compound":"Mestranol","CAS":"72-33-3","CAS.Checksum":true,"DTXSID":"DTXSID0020814","Formula":"C21H26O2","All.Compound.Names":"Mestranol|Dtxsid0020814|72-33-3","logHenry":-6.688,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.15,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.285,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.167,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.6,"MP.Reference":"EPA-CCD-OPERA","MW":310.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10.2","Human.Clint.Reference":"Black 2021","Rat.Clint":"154","Rat.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"72-33-3"}
{"Compound":"Methaqualone","CAS":"72-44-6","CAS.Checksum":true,"DTXSID":"DTXSID7023279","Formula":"C16H14N2O","All.Compound.Names":"Methaqualone|Dtxsid7023279|72-44-6","logHenry":-7.639,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.642,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.081,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.92,"logWSol.Reference":"EPA-CCD-OPERA","MP":119.8,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72-44-6"}
{"Compound":"Alizarin","CAS":"72-48-0","CAS.Checksum":true,"DTXSID":"DTXSID5045960","Formula":"C14H8O4","All.Compound.Names":"Alizarin|Dtxsid5045960|72-48-0","logHenry":-9.019,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.045,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.044,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.787,"logWSol.Reference":"EPA-CCD-OPERA","MP":274.6,"MP.Reference":"EPA-CCD-OPERA","MW":240.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72-48-0"}
{"Compound":"P,p'-ethyl-ddd","CAS":"72-56-0","CAS.Checksum":true,"DTXSID":"DTXSID4020589","Formula":"C18H20Cl2","All.Compound.Names":"P,p'-ethyl-ddd|Dtxsid4020589","logHenry":-4.712,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.094,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.565,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.763,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.06,"MP.Reference":"EPA-CCD-OPERA","MW":307.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72-56-0"}
{"Compound":"C.i. direct blue 14","CAS":"72-57-1","CAS.Checksum":true,"DTXSID":"DTXSID4026268","Formula":"C34H24N6Na4O14S4","All.Compound.Names":"C.i. direct blue 14|Dtxsid4026268|72-57-1","logHenry":-9.659,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.648,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.946,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.288,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.5,"MP.Reference":"EPA-CCD-OPERA","MW":960.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72-57-1"}
{"Compound":"Methandrostenolone","CAS":"72-63-9","CAS.Checksum":true,"DTXSID":"DTXSID2023276","Formula":"C20H28O2","All.Compound.Names":"Methandrostenolone|Dtxsid2023276|72-63-9","logHenry":-8.365,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.181,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.284,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.121,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.3,"MP.Reference":"EPA-CCD-OPERA","MW":300.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72-63-9"}
{"Compound":"5,7-dichloro-8-hydroxy-2-methylquinoline","CAS":"72-80-0","CAS.Checksum":true,"DTXSID":"DTXSID3048998","Formula":"C10H7Cl2NO","All.Compound.Names":"5,7-dichloro-8-hydroxy-2-methylquinoline|Dtxsid3048998|72-80-0","logHenry":-7.218,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.955,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.571,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.861,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.8,"MP.Reference":"EPA-CCD-OPERA","MW":228.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9.844","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"72-80-0"}
{"Compound":"1,4-bis(3-aminopropyl)piperazine","CAS":"7209-38-3","CAS.Checksum":true,"DTXSID":"DTXSID8022246","Formula":"C10H24N4","All.Compound.Names":"1,4-bis(3-aminopropyl)piperazine|1,4-piperazinedipropanamine|Dtxsid8022246|7209-38-3","logHenry":-7.5,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.429,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.539,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3905,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.11,"MP.Reference":"EPA-CCD-OPERA","MW":200.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7209-38-3"}
{"Compound":"Nerolidol","CAS":"7212-44-4","CAS.Checksum":true,"DTXSID":"DTXSID3022247","Formula":"C15H26O","All.Compound.Names":"Nerolidol|Dtxsid3022247|7212-44-4","logHenry":-6,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.862,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.39,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.612,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.63,"MP.Reference":"EPA-CCD-OPERA","MW":222.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7212-44-4"}
{"Compound":"Methylene blue trihydrate","CAS":"7220-79-3","CAS.Checksum":true,"DTXSID":"DTXSID0025600","Formula":"C16H24ClN3O3S","All.Compound.Names":"Methylene blue trihydrate|Dtxsid0025600|7220-79-3","logHenry":-5.817,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6667,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.752,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8712,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.3,"MP.Reference":"EPA-CCD-OPERA","MW":373.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7220-79-3"}
{"Compound":"Metrizoate sodium","CAS":"7225-61-8","CAS.Checksum":true,"DTXSID":"DTXSID4048270","Formula":"C12H10I3N2NaO4","All.Compound.Names":"Metrizoate sodium|Dtxsid4048270|7225-61-8","logHenry":-10.24,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.133,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.002,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.6,"MP.Reference":"EPA-CCD-OPERA","MW":649.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7225-61-8"}
{"Compound":"(e)-4-tridecen-l-yl acetate","CAS":"72269-48-8","CAS.Checksum":true,"DTXSID":"DTXSID4035592","Formula":"C15H28O2","All.Compound.Names":"(e)-4-tridecen-l-yl acetate|Dtxsid4035592","logHenry":-5.603,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.018,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.485,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.438,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.39,"MP.Reference":"EPA-CCD-OPERA","MW":240.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72269-48-8"}
{"Compound":"1-phenyl-3,3-dimethyltriazene","CAS":"7227-91-0","CAS.Checksum":true,"DTXSID":"DTXSID5021128","Formula":"C8H11N3","All.Compound.Names":"1-phenyl-3,3-dimethyltriazene|Dtxsid5021128|7227-91-0","logHenry":-3.329,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.59,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.423,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3285,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.59,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7227-91-0"}
{"Compound":"9-anthracenecarboxylic acid","CAS":"723-62-6","CAS.Checksum":true,"DTXSID":"DTXSID7049427","Formula":"C15H10O2","All.Compound.Names":"9-anthracenecarboxylic acid|Dtxsid7049427|723-62-6","logHenry":-7.704,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.847,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.894,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.418,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.4,"MP.Reference":"EPA-CCD-OPERA","MW":222.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"723-62-6"}
{"Compound":"Indorenate hydrochloride","CAS":"72318-55-9","CAS.Checksum":true,"DTXSID":"DTXSID5046306","Formula":"C13H17ClN2O3","All.Compound.Names":"Indorenate hydrochloride|Dtxsid5046306|72318-55-9","logHenry":-9.729,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.144,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.431,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.8,"MP.Reference":"EPA-CCD-OPERA","MW":284.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72318-55-9"}
{"Compound":"Procaterol","CAS":"72332-33-3","CAS.Checksum":true,"DTXSID":"DTXSID5045673","Formula":"C16H22N2O3","All.Compound.Names":"Procaterol|72332-33-3|Dtxsid5045673","logHenry":-9.36,"logHenry.Reference":"OPERA29","logP":-1.46,"logP.Reference":"OPERA29","logWSol":-2.92,"logWSol.Reference":"OPERA29","MP":131,"MP.Reference":"OPERA29","MW":290.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.4,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"72332-33-3"}
{"Compound":"Beta-carotene","CAS":"7235-40-7","CAS.Checksum":true,"DTXSID":"DTXSID3020253","Formula":"C40H56","All.Compound.Names":"Beta-carotene|7235-40-7|Dtxsid3020253","logHenry":-6.61,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.499,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.177,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.006,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.5,"MP.Reference":"EPA-CCD-OPERA","MW":536.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.25,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"7235-40-7"}
{"Compound":"Acifran","CAS":"72420-38-3","CAS.Checksum":true,"DTXSID":"DTXSID9045685","Formula":"C12H10O4","All.Compound.Names":"Acifran|Dtxsid9045685|72420-38-3","logHenry":-7.933,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.706,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.004,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.719,"logWSol.Reference":"EPA-CCD-OPERA","MP":176,"MP.Reference":"EPA-CCD-OPERA","MW":218.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72420-38-3"}
{"Compound":"Aniracetam","CAS":"72432-10-1","CAS.Checksum":true,"DTXSID":"DTXSID5045128","Formula":"C12H13NO3","All.Compound.Names":"Aniracetam|Dtxsid5045128|72432-10-1","logHenry":-7.628,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3882,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.788,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6625,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.11,"MP.Reference":"EPA-CCD-OPERA","MW":219.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72432-10-1"}
{"Compound":"Methicillin sodium hydrate","CAS":"7246-14-2","CAS.Checksum":true,"DTXSID":"DTXSID5045835","Formula":"C17H21N2NaO7S","All.Compound.Names":"Methicillin sodium hydrate|Dtxsid5045835|7246-14-2","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.735,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.805,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.097,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.5,"MP.Reference":"EPA-CCD-OPERA","MW":420.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7246-14-2"}
{"Compound":"Sodium tyropanoate","CAS":"7246-21-1","CAS.Checksum":true,"DTXSID":"DTXSID2023729","Formula":"C15H17I3NNaO3","All.Compound.Names":"Sodium tyropanoate|Dtxsid2023729|7246-21-1","logHenry":-9.072,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.784,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.811,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.772,"logWSol.Reference":"EPA-CCD-OPERA","MP":209,"MP.Reference":"EPA-CCD-OPERA","MW":663,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7246-21-1"}
{"Compound":"Fenticonazole","CAS":"72479-26-6","CAS.Checksum":true,"DTXSID":"DTXSID7057812","Formula":"C24H20Cl2N2OS","All.Compound.Names":"Fenticonazole|Dtxsid7057812|72479-26-6","logHenry":-5.649,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.194,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.485,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.47,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.5,"MP.Reference":"EPA-CCD-OPERA","MW":455.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72479-26-6"}
{"Compound":"Pirarubicin","CAS":"72496-41-4","CAS.Checksum":true,"DTXSID":"DTXSID2046755","Formula":"C32H37NO12","All.Compound.Names":"Pirarubicin|Dtxsid2046755|72496-41-4","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.093,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.438,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.009,"logWSol.Reference":"EPA-CCD-OPERA","MP":210,"MP.Reference":"EPA-CCD-OPERA","MW":627.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72496-41-4"}
{"Compound":"Ave5638","CAS":"725228-45-5","CAS.Checksum":true,"DTXSID":"DTXSID0047371","Formula":"C25H23FN2O2","All.Compound.Names":"Ave5638|Dtxsid0047371|725228-45-5","logHenry":-7.756,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.127,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.201,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.794,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.2,"MP.Reference":"EPA-CCD-OPERA","MW":402.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"725228-45-5"}
{"Compound":"Hydrocortisone buteprate","CAS":"72590-77-3","CAS.Checksum":true,"DTXSID":"DTXSID3048603","Formula":"C28H40O7","All.Compound.Names":"Hydrocortisone buteprate|Dtxsid3048603|72590-77-3","logHenry":-9.213,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.577,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.655,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.001,"logWSol.Reference":"EPA-CCD-OPERA","MP":224.4,"MP.Reference":"EPA-CCD-OPERA","MW":488.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72590-77-3"}
{"Compound":"Miglustat","CAS":"72599-27-0","CAS.Checksum":true,"DTXSID":"DTXSID6045618","Formula":"C10H21NO4","All.Compound.Names":"Miglustat|72599-27-0|Dtxsid6045618","logHenry":-8.736,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4812,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.886,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4382,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.1,"MP.Reference":"EPA-CCD-OPERA","MW":219.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.97,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"72599-27-0"}
{"Compound":"Ponalrestat","CAS":"72702-95-5","CAS.Checksum":true,"DTXSID":"DTXSID1045665","Formula":"C17H12BrFN2O3","All.Compound.Names":"Ponalrestat|Dtxsid1045665|72702-95-5","logHenry":-8.757,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.306,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.28,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.559,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.2,"MP.Reference":"EPA-CCD-OPERA","MW":391.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.9","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72702-95-5"}
{"Compound":"(s)-(-)-cathinone hydrochloride","CAS":"72739-14-1","CAS.Checksum":true,"DTXSID":"DTXSID8048866","Formula":"C9H12ClNO","All.Compound.Names":"(s)-(-)-cathinone hydrochloride|(-)- (s)-cathinone hydrochloride|Dtxsid8048866|72739-14-1","logHenry":-7.836,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.106,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.82,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.759,"logWSol.Reference":"EPA-CCD-OPERA","MP":231.3,"MP.Reference":"EPA-CCD-OPERA","MW":185.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72739-14-1"}
{"Compound":"Swainsonine","CAS":"72741-87-8","CAS.Checksum":true,"DTXSID":"DTXSID5046356","Formula":"C8H15NO3","All.Compound.Names":"Swainsonine|Dtxsid5046356|72741-87-8","logHenry":-7.933,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.016,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.908,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.05464,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.3,"MP.Reference":"EPA-CCD-OPERA","MW":173.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72741-87-8"}
{"Compound":"Isoetharine mesylate","CAS":"7279-75-6","CAS.Checksum":true,"DTXSID":"DTXSID2045571","Formula":"C14H25NO6S","All.Compound.Names":"Isoetharine mesylate|Dtxsid2045571|7279-75-6","logHenry":-10.47,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3703,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.262,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.678,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.5,"MP.Reference":"EPA-CCD-OPERA","MW":335.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7279-75-6"}
{"Compound":"2,6-di-tert-butyl-4-nitrophenol","CAS":"728-40-5","CAS.Checksum":true,"DTXSID":"DTXSID4021559","Formula":"C14H21NO3","All.Compound.Names":"2,6-di-tert-butyl-4-nitrophenol|Dtxsid4021559|728-40-5","logHenry":-7.618,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.204,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.253,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.535,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.65,"MP.Reference":"EPA-CCD-OPERA","MW":251.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"728-40-5"}
{"Compound":"Estropipate","CAS":"7280-37-7","CAS.Checksum":true,"DTXSID":"DTXSID3023005","Formula":"C22H32N2O5S","All.Compound.Names":"Estropipate|Dtxsid3023005|7280-37-7","logHenry":-8.309,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5078,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.475,"logWSol.Reference":"EPA-CCD-OPERA","MP":166,"MP.Reference":"EPA-CCD-OPERA","MW":436.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7280-37-7"}
{"Compound":"Benzyldodecyldimethylammonium bromide","CAS":"7281-04-1","CAS.Checksum":true,"DTXSID":"DTXSID4048698","Formula":"C21H38BrN","All.Compound.Names":"Benzyldodecyldimethylammonium bromide|Dtxsid4048698|7281-04-1","logHenry":-5.705,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5571,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.981,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.311,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.6,"MP.Reference":"EPA-CCD-OPERA","MW":384.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7281-04-1"}
{"Compound":"Dapiprazole hydrochloride","CAS":"72822-13-0","CAS.Checksum":true,"DTXSID":"DTXSID7048669","Formula":"C19H28ClN5","All.Compound.Names":"Dapiprazole hydrochloride|Dtxsid7048669|72822-13-0","logHenry":-5.327,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7266,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.04,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.061,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.5,"MP.Reference":"EPA-CCD-OPERA","MW":361.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72822-13-0"}
{"Compound":"Safrazine hydrochloride","CAS":"7296-30-2","CAS.Checksum":true,"DTXSID":"DTXSID0048840","Formula":"C11H17ClN2O2","All.Compound.Names":"Safrazine hydrochloride|Dtxsid0048840|7296-30-2","logHenry":-6.525,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8367,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.759,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.475,"logWSol.Reference":"EPA-CCD-OPERA","MP":177,"MP.Reference":"EPA-CCD-OPERA","MW":244.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7296-30-2"}
{"Compound":"Imiprothrin","CAS":"72963-72-5","CAS.Checksum":true,"DTXSID":"DTXSID8034669","Formula":"C17H22N2O4","All.Compound.Names":"Imiprothrin|Dtxsid8034669|72963-72-5","logHenry":-8.744,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.898,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.908,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.529,"logWSol.Reference":"EPA-CCD-OPERA","MP":107,"MP.Reference":"EPA-CCD-OPERA","MW":318.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72963-72-5"}
{"Compound":"L-tryptophan","CAS":"73-22-3","CAS.Checksum":true,"DTXSID":"DTXSID5021419","Formula":"C11H12N2O2","All.Compound.Names":"L-tryptophan|Dtxsid5021419|73-22-3","logHenry":-10.36,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.047,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.58,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.199,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.1,"MP.Reference":"EPA-CCD-OPERA","MW":204.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"73-22-3"}
{"Compound":"Adenine","CAS":"73-24-5","CAS.Checksum":true,"DTXSID":"DTXSID6022557","Formula":"C5H5N5","All.Compound.Names":"Adenine|Dtxsid6022557|73-24-5","logHenry":-7.484,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.09074,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.174,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.194,"logWSol.Reference":"EPA-CCD-OPERA","MP":225.8,"MP.Reference":"EPA-CCD-OPERA","MW":135.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"73-24-5"}
{"Compound":"Bendroflumethiazide","CAS":"73-48-3","CAS.Checksum":true,"DTXSID":"DTXSID5022647","Formula":"C15H14F3N3O4S2","All.Compound.Names":"Bendroflumethiazide|73-48-3|Dtxsid5022647","logHenry":-10.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.541,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.71,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.591,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.1,"MP.Reference":"EPA-CCD-OPERA","MW":421.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"73-48-3"}
{"Compound":"Quinethazone","CAS":"73-49-4","CAS.Checksum":true,"DTXSID":"DTXSID9023548","Formula":"C10H12ClN3O3S","All.Compound.Names":"Quinethazone|Dtxsid9023548|73-49-4","logHenry":-9.595,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3564,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.871,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.288,"logWSol.Reference":"EPA-CCD-OPERA","MP":251,"MP.Reference":"EPA-CCD-OPERA","MW":289.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"73-49-4"}
{"Compound":"Imidoline","CAS":"7303-78-8","CAS.Checksum":true,"DTXSID":"DTXSID2057813","Formula":"C13H18ClN3O","All.Compound.Names":"Imidoline|Dtxsid2057813|7303-78-8","logHenry":-7.718,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.061,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.551,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.05,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.32,"MP.Reference":"EPA-CCD-OPERA","MW":267.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7303-78-8"}
{"Compound":"Tolylfluanid","CAS":"731-27-1","CAS.Checksum":true,"DTXSID":"DTXSID8042478","Formula":"C10H13Cl2FN2O2S2","All.Compound.Names":"Tolylfluanid|Dtxsid8042478|731-27-1","logHenry":-6.68,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.898,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.515,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.587,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.99,"MP.Reference":"EPA-CCD-OPERA","MW":347.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"731-27-1"}
{"Compound":"1,2-epoxyhexadecane","CAS":"7320-37-8","CAS.Checksum":true,"DTXSID":"DTXSID9025245","Formula":"C16H32O","All.Compound.Names":"1,2-epoxyhexadecane|Dtxsid9025245","logHenry":-4.712,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.053,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.362,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.274,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.54,"MP.Reference":"EPA-CCD-OPERA","MW":240.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7320-37-8"}
{"Compound":"Apraclonidine hydrochloride","CAS":"73218-79-8","CAS.Checksum":true,"DTXSID":"DTXSID6045749","Formula":"C9H11Cl3N4","All.Compound.Names":"Apraclonidine hydrochloride|Dtxsid6045749|73218-79-8","logHenry":-8.648,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.051,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.578,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.455,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.1,"MP.Reference":"EPA-CCD-OPERA","MW":281.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"73218-79-8"}
{"Compound":"Florfenicol","CAS":"73231-34-2","CAS.Checksum":true,"DTXSID":"DTXSID9045500","Formula":"C12H14Cl2FNO4S","All.Compound.Names":"Florfenicol|Dtxsid9045500|73231-34-2","logHenry":-9.879,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3946,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.834,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.43,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.4,"MP.Reference":"EPA-CCD-OPERA","MW":358.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"73231-34-2"}
{"Compound":"1-hexylpyridinium iodide","CAS":"7324-00-7","CAS.Checksum":true,"DTXSID":"DTXSID6049353","Formula":"C11H18IN","All.Compound.Names":"1-hexylpyridinium iodide|Dtxsid6049353|7324-00-7","logHenry":-2.982,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.263,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.987,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.494,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.8,"MP.Reference":"EPA-CCD-OPERA","MW":291.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7324-00-7"}
{"Compound":"2-(2-ethoxyethoxy)ethyl prop-2-enoate","CAS":"7328-17-8","CAS.Checksum":true,"DTXSID":"DTXSID6044983","Formula":"C9H16O4","All.Compound.Names":"2-(2-ethoxyethoxy)ethyl prop-2-enoate|Dtxsid6044983|2-(2-ethoxyethoxy)ethyl acrylate","logHenry":-4.938,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8515,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.351,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6045,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.83,"MP.Reference":"EPA-CCD-OPERA","MW":188.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7328-17-8"}
{"Compound":"Eicosapentaenoic acid ethyl ester","CAS":"73310-10-8","CAS.Checksum":true,"DTXSID":"DTXSID7057814","All.Compound.Names":"Eicosapentaenoic acid ethyl ester|Ethyl eicosapentaenoate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"73310-10-8"}
{"Compound":"Ethyl 2-methoxybenzoate","CAS":"7335-26-4","CAS.Checksum":true,"DTXSID":"DTXSID9047126","Formula":"C10H12O3","All.Compound.Names":"Ethyl 2-methoxybenzoate|Ethyl o-anisate|Dtxsid9047126","logHenry":-6.027,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.332,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.499,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.161,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.34,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7335-26-4"}
{"Compound":"12-bromododecanoicacid","CAS":"73367-80-3","CAS.Checksum":true,"DTXSID":"DTXSID1049354","Formula":"C12H23BrO2","All.Compound.Names":"12-bromododecanoicacid|12-bromododecanoic acid|Dtxsid1049354|73367-80-3","logHenry":-6.744,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.102,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.086,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.133,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.47,"MP.Reference":"EPA-CCD-OPERA","MW":279.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"73367-80-3"}
{"Compound":"3-(trichlorosilyl)propyl methacrylate","CAS":"7351-61-3","CAS.Checksum":true,"DTXSID":"DTXSID5027647","Formula":"C7H11Cl3O2Si","All.Compound.Names":"3-(trichlorosilyl)propyl methacrylate|Dtxsid5027647","logHenry":-3.523,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.072,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.698,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.795,"logWSol.Reference":"EPA-CCD-OPERA","MP":-49.87,"MP.Reference":"EPA-CCD-OPERA","MW":261.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7351-61-3"}
{"Compound":"Rescimetol","CAS":"73573-42-9","CAS.Checksum":true,"DTXSID":"DTXSID2057815","Formula":"C33H38N2O8","All.Compound.Names":"Rescimetol|Dtxsid2057815|73573-42-9","logHenry":-7.871,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.778,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.954,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.304,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.9,"MP.Reference":"EPA-CCD-OPERA","MW":590.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"73573-42-9"}
{"Compound":"Mevastatin","CAS":"73573-88-3","CAS.Checksum":true,"DTXSID":"DTXSID4040684","Formula":"C23H34O5","All.Compound.Names":"Mevastatin|Dtxsid4040684|73573-88-3","logHenry":-8.489,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.95,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.427,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.58,"logWSol.Reference":"EPA-CCD-OPERA","MP":152,"MP.Reference":"EPA-CCD-OPERA","MW":390.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"73573-88-3"}
{"Compound":"Omeprazole sulfide","CAS":"73590-85-9","CAS.Checksum":true,"DTXSID":"DTXSID7057816","Formula":"C17H19N3O2S","All.Compound.Names":"Omeprazole sulfide|Dtxsid7057816|73590-85-9","logHenry":-6.445,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.22,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.159,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.868,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.5,"MP.Reference":"EPA-CCD-OPERA","MW":329.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"73590-85-9"}
{"Compound":"Aluminum hydroxide acetate (1:2:1)","CAS":"7360-44-3","CAS.Checksum":true,"DTXSID":"DTXSID6044723","Formula":"C2H5AlO4","All.Compound.Names":"Aluminum hydroxide acetate (1:2:1)|Dihydroxy aluminum acetate","MW":120,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7360-44-3"}
{"Compound":"Aluminum triformate","CAS":"7360-53-4","CAS.Checksum":true,"DTXSID":"DTXSID1044724","Formula":"C3H3AlO6","All.Compound.Names":"Aluminum triformate|7360-53-4","logHenry":-6.77,"logHenry.Reference":"OPERA29","logP":-0.54,"logP.Reference":"OPERA29","logWSol":1.02,"logWSol.Reference":"OPERA29","MP":9,"MP.Reference":"OPERA29","MW":162,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7360-53-4"}
{"Compound":"Xylazine","CAS":"7361-61-7","CAS.Checksum":true,"DTXSID":"DTXSID3040643","Formula":"C12H16N2S","All.Compound.Names":"Xylazine|Dtxsid3040643|7361-61-7","logHenry":-7.705,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.39,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.73,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.825,"logWSol.Reference":"EPA-CCD-OPERA","MP":140,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7361-61-7"}
{"Compound":"3-indazolinone","CAS":"7364-25-2","CAS.Checksum":true,"DTXSID":"DTXSID2049428","Formula":"C7H6N2O","All.Compound.Names":"3-indazolinone|Dtxsid2049428|7364-25-2","logHenry":-7.554,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.002,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.838,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.364,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.5,"MP.Reference":"EPA-CCD-OPERA","MW":134.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7364-25-2"}
{"Compound":"Diatrizoate sodium","CAS":"737-31-5","CAS.Checksum":true,"DTXSID":"DTXSID7022912","Formula":"C11H8I3N2NaO4","All.Compound.Names":"Diatrizoate sodium|Dtxsid7022912|737-31-5","logHenry":-10.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.495,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.897,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.789,"logWSol.Reference":"EPA-CCD-OPERA","MP":261,"MP.Reference":"EPA-CCD-OPERA","MW":635.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"737-31-5"}
{"Compound":"Prednicarbate","CAS":"73771-04-7","CAS.Checksum":true,"DTXSID":"DTXSID9045502","Formula":"C27H36O8","All.Compound.Names":"Prednicarbate|Dtxsid9045502|73771-04-7","logHenry":-9.265,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.238,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.013,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.981,"logWSol.Reference":"EPA-CCD-OPERA","MP":243.7,"MP.Reference":"EPA-CCD-OPERA","MW":488.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"73771-04-7"}
{"Compound":"Tripamide","CAS":"73803-48-2","CAS.Checksum":true,"DTXSID":"DTXSID2057817","Formula":"C16H20ClN3O3S","All.Compound.Names":"Tripamide|Dtxsid2057817|73803-48-2","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5267,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.785,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.479,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.7,"MP.Reference":"EPA-CCD-OPERA","MW":369.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"73803-48-2"}
{"Compound":"Meclocycline sulfosalicylate","CAS":"73816-42-9","CAS.Checksum":true,"DTXSID":"DTXSID5045596","Formula":"C29H27ClN2O14S","All.Compound.Names":"Meclocycline sulfosalicylate","MW":695,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"73816-42-9"}
{"Compound":"Cilostazol","CAS":"73963-72-1","CAS.Checksum":true,"DTXSID":"DTXSID9045132","Formula":"C20H27N5O2","All.Compound.Names":"Cilostazol|Dtxsid9045132|73963-72-1","logHenry":-8.174,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.921,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.4,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.906,"logWSol.Reference":"EPA-CCD-OPERA","MP":160,"MP.Reference":"EPA-CCD-OPERA","MW":369.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"73963-72-1"}
{"Compound":"Butyl hydroxyacetate","CAS":"7397-62-8","CAS.Checksum":true,"DTXSID":"DTXSID6044725","Formula":"C6H12O3","All.Compound.Names":"Butyl hydroxyacetate|Dtxsid6044725|7397-62-8","logHenry":-6.08,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8761,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.901,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3362,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.396,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7397-62-8"}
{"Compound":"Dimethyldiallylammonium chloride","CAS":"7398-69-8","CAS.Checksum":true,"DTXSID":"DTXSID4027650","Formula":"C8H16ClN","All.Compound.Names":"Dimethyldiallylammonium chloride|Diallyldimethylammonium chloride|Dtxsid4027650|7398-69-8","logHenry":-0.9425,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.186,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.923,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1003,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.8,"MP.Reference":"EPA-CCD-OPERA","MW":161.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7398-69-8"}
{"Compound":"4-chlorobenzoic acid","CAS":"74-11-3","CAS.Checksum":true,"DTXSID":"DTXSID9024772","Formula":"C7H5ClO2","All.Compound.Names":"4-chlorobenzoic acid|Dtxsid9024772|74-11-3","logHenry":-8.695,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.647,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.841,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.318,"logWSol.Reference":"EPA-CCD-OPERA","MP":241.2,"MP.Reference":"EPA-CCD-OPERA","MW":156.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74-11-3"}
{"Compound":"N,n'-diphenyl-p-phenylenediamine","CAS":"74-31-7","CAS.Checksum":true,"DTXSID":"DTXSID9020538","Formula":"C18H16N2","All.Compound.Names":"N,n'-diphenyl-p-phenylenediamine|Dtxsid9020538|74-31-7","logHenry":-7.898,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.96,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.476,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.964,"logWSol.Reference":"EPA-CCD-OPERA","MP":144,"MP.Reference":"EPA-CCD-OPERA","MW":260.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74-31-7"}
{"Compound":"L-arginine","CAS":"74-79-3","CAS.Checksum":true,"DTXSID":"DTXSID6041056","Formula":"C6H14N4O2","All.Compound.Names":"L-arginine|74-79-3|Dtxsid6041056","logHenry":-10.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":-4.194,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.11,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01801,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.5,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.97","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.68,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"74-79-3"}
{"Compound":"Dibromomethane","CAS":"74-95-3","CAS.Checksum":true,"DTXSID":"DTXSID4021557","Formula":"CH2Br2","All.Compound.Names":"Dibromomethane|Dtxsid4021557","logHenry":-3.081,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.791,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.313,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.17,"logWSol.Reference":"EPA-CCD-OPERA","MP":-52.4,"MP.Reference":"EPA-CCD-OPERA","MW":173.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74-95-3"}
{"Compound":"Bromoethane","CAS":"74-96-4","CAS.Checksum":true,"DTXSID":"DTXSID6020199","Formula":"C2H5Br","All.Compound.Names":"Bromoethane|Dtxsid6020199","logHenry":-2.049,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.611,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5811,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.093,"logWSol.Reference":"EPA-CCD-OPERA","MP":-118.3,"MP.Reference":"EPA-CCD-OPERA","MW":109,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74-96-4"}
{"Compound":"Bromochloromethane","CAS":"74-97-5","CAS.Checksum":true,"DTXSID":"DTXSID4021503","Formula":"CH2BrCl","All.Compound.Names":"Bromochloromethane|Dtxsid4021503","logHenry":-2.423,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.411,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.257,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8947,"logWSol.Reference":"EPA-CCD-OPERA","MP":-87.73,"MP.Reference":"EPA-CCD-OPERA","MW":129.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74-97-5"}
{"Compound":"Ketorolac tromethamine","CAS":"74103-07-4","CAS.Checksum":true,"DTXSID":"DTXSID0045597","Formula":"C19H24N2O6","All.Compound.Names":"Ketorolac tromethamine|Dtxsid0045597|74103-07-4","logHenry":-9.131,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6983,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.02,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.455,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.6,"MP.Reference":"EPA-CCD-OPERA","MW":376.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74103-07-4"}
{"Compound":"3,3',4,4'-tetraaminobiphenyl tetrahydrochloride","CAS":"7411-49-6","CAS.Checksum":true,"DTXSID":"DTXSID7021312","Formula":"C12H18Cl4N4","All.Compound.Names":"3,3',4,4'-tetraaminobiphenyl tetrahydrochloride|Dtxsid7021312|7411-49-6","logHenry":-8.023,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.985,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.38,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.664,"logWSol.Reference":"EPA-CCD-OPERA","MP":179,"MP.Reference":"EPA-CCD-OPERA","MW":360.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7411-49-6"}
{"Compound":"Nifenalol","CAS":"7413-36-7","CAS.Checksum":true,"DTXSID":"DTXSID9048693","Formula":"C11H16N2O3","All.Compound.Names":"Nifenalol|Dtxsid9048693|7413-36-7","logHenry":-5.34,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.279,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.806,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.46,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.01,"MP.Reference":"EPA-CCD-OPERA","MW":224.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7413-36-7"}
{"Compound":"Sucrose octasulfate, sodium salt","CAS":"74135-10-7","CAS.Checksum":true,"DTXSID":"DTXSID1049069","Formula":"C12H14Na8O27S8","All.Compound.Names":"Sucrose octasulfate, sodium salt|Dtxsid1049069|74135-10-7","logHenry":-10.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2323,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.836,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6419,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.6,"MP.Reference":"EPA-CCD-OPERA","MW":1031,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74135-10-7"}
{"Compound":"Phosphonic acid, (1-hydroxyethylidene)bis-, disodium salt","CAS":"7414-83-7","CAS.Checksum":true,"DTXSID":"DTXSID1029671","Formula":"C2H6Na2O7P2","All.Compound.Names":"Phosphonic acid, (1-hydroxyethylidene)bis-, disodium salt|Etidronate disodium|Dtxsid1029671|7414-83-7","logHenry":-8.619,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9018,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.37,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5243,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.2,"MP.Reference":"EPA-CCD-OPERA","MW":250,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7414-83-7"}
{"Compound":"Cyclopenthiazide","CAS":"742-20-1","CAS.Checksum":true,"DTXSID":"DTXSID4022868","Formula":"C13H18ClN3O4S2","All.Compound.Names":"Cyclopenthiazide|742-20-1|Dtxsid4022868","logHenry":-9.571,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.271,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.992,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.314,"logWSol.Reference":"EPA-CCD-OPERA","MP":238,"MP.Reference":"EPA-CCD-OPERA","MW":379.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"742-20-1"}
{"Compound":"Carbenoxolone sodium","CAS":"7421-40-1","CAS.Checksum":true,"DTXSID":"DTXSID7045572","Formula":"C34H48Na2O7","All.Compound.Names":"Carbenoxolone sodium|Dtxsid7045572|7421-40-1","logHenry":-7.545,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.311,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.381,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.547,"logWSol.Reference":"EPA-CCD-OPERA","MP":270,"MP.Reference":"EPA-CCD-OPERA","MW":614.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7421-40-1"}
{"Compound":"1-(4-hydroxyphenyl)-2-methyl-2-methylaminoethanol hydrochloride","CAS":"74217-46-2","CAS.Checksum":true,"DTXSID":"DTXSID2046836","Formula":"C10H16ClNO2","All.Compound.Names":"1-(4-hydroxyphenyl)-2-methyl-2-methylaminoethanol hydrochloride|Dtxsid2046836|74217-46-2","logHenry":-9.777,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.357,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.481,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9602,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.5,"MP.Reference":"EPA-CCD-OPERA","MW":217.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.59","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74217-46-2"}
{"Compound":"Sulfometuron-methyl","CAS":"74222-97-2","CAS.Checksum":true,"DTXSID":"DTXSID0034936","Formula":"C15H16N4O5S","All.Compound.Names":"Sulfometuron-methyl|Dtxsid0034936|74222-97-2","logHenry":-9.187,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.315,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.338,"logWSol.Reference":"EPA-CCD-OPERA","MP":204,"MP.Reference":"EPA-CCD-OPERA","MW":364.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74222-97-2"}
{"Compound":"Fenclonine","CAS":"7424-00-2","CAS.Checksum":true,"DTXSID":"DTXSID4045139","Formula":"C9H10ClNO2","All.Compound.Names":"Fenclonine|Dtxsid4045139|7424-00-2","logHenry":-8.193,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4712,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.54,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.399,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.3,"MP.Reference":"EPA-CCD-OPERA","MW":199.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7424-00-2"}
{"Compound":"Mannuronic acid lactone","CAS":"7424-09-1","CAS.Checksum":true,"DTXSID":"DTXSID5048976","Formula":"C6H8O6","All.Compound.Names":"Mannuronic acid lactone|Dtxsid5048976|7424-09-1","logHenry":-8.658,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.323,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.45,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3585,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.6,"MP.Reference":"EPA-CCD-OPERA","MW":176.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7424-09-1"}
{"Compound":"Alacepril","CAS":"74258-86-9","CAS.Checksum":true,"DTXSID":"DTXSID3048576","Formula":"C20H26N2O5S","All.Compound.Names":"Alacepril|Dtxsid3048576|74258-86-9","logHenry":-10.31,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.157,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.431,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.754,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.3,"MP.Reference":"EPA-CCD-OPERA","MW":406.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74258-86-9"}
{"Compound":"Ssr504734","CAS":"742693-38-5","CAS.Checksum":true,"DTXSID":"DTXSID3047348","Formula":"C20H20ClF3N2O","All.Compound.Names":"Ssr504734|Dtxsid3047348|742693-38-5","logHenry":-10.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.55,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.86,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.478,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.3,"MP.Reference":"EPA-CCD-OPERA","MW":396.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"742693-38-5"}
{"Compound":"1-(1,3-benzodioxol-5-yl)-n-ethylpropan-2-amine hydrochloride","CAS":"74341-78-9","CAS.Checksum":true,"DTXSID":"DTXSID0048892","Formula":"C12H18ClNO2","All.Compound.Names":"1-(1,3-benzodioxol-5-yl)-n-ethylpropan-2-amine hydrochloride|N-ethyl-alpha-methyl-1,3-benzodioxole-5-ethanamine hydrochloride|Dtxsid0048892|74341-78-9","logHenry":-9.053,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4794,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.694,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.032,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.5,"MP.Reference":"EPA-CCD-OPERA","MW":243.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74341-78-9"}
{"Compound":"1-(1,3-benzodioxol-5-yl)-n-hydroxypropan-2-amine hydrochloride","CAS":"74341-83-6","CAS.Checksum":true,"DTXSID":"DTXSID5048891","Formula":"C10H14ClNO3","All.Compound.Names":"1-(1,3-benzodioxol-5-yl)-n-hydroxypropan-2-amine hydrochloride|N-hydroxy-3,4-methylenedioxyamphetamine hydrochloride|Dtxsid5048891|74341-83-6","logHenry":-8.871,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.212,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.145,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.05,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.8,"MP.Reference":"EPA-CCD-OPERA","MW":231.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74341-83-6"}
{"Compound":"Leuprolide acetate salt","CAS":"74381-53-6","CAS.Checksum":true,"DTXSID":"DTXSID7049009","Formula":"C61H88N16O14","All.Compound.Names":"Leuprolide acetate salt|Leuprolide acetate|Dtxsid7049009|74381-53-6","logHenry":-10.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8902,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.75,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.433,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.7,"MP.Reference":"EPA-CCD-OPERA","MW":1269,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74381-53-6"}
{"Compound":"Diphenyl isophthalate","CAS":"744-45-6","CAS.Checksum":true,"DTXSID":"DTXSID8037752","Formula":"C20H14O4","All.Compound.Names":"Diphenyl isophthalate|Dtxsid8037752","logHenry":-7.913,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.597,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.324,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.85,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.16,"MP.Reference":"EPA-CCD-OPERA","MW":318.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"744-45-6"}
{"Compound":"Benzobarbital","CAS":"744-80-9","CAS.Checksum":true,"DTXSID":"DTXSID1046138","Formula":"C19H16N2O4","All.Compound.Names":"Benzobarbital|Dtxsid1046138|744-80-9","logHenry":-7.376,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.35,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.922,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.756,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.5,"MP.Reference":"EPA-CCD-OPERA","MW":336.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"744-80-9"}
{"Compound":"1-hexylpyridinium bromide","CAS":"74440-81-6","CAS.Checksum":true,"DTXSID":"DTXSID7047934","Formula":"C11H18BrN","All.Compound.Names":"1-hexylpyridinium bromide|Dtxsid7047934|74440-81-6","logHenry":-2.982,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.031,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.755,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.494,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.3,"MP.Reference":"EPA-CCD-OPERA","MW":244.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74440-81-6"}
{"Compound":"Selenium dioxide","CAS":"7446-08-4","CAS.Checksum":true,"DTXSID":"DTXSID4021264","All.Compound.Names":"Selenium dioxide","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7446-08-4"}
{"Compound":"2-propenoic acid, sodium salt","CAS":"7446-81-3","CAS.Checksum":true,"DTXSID":"DTXSID4027652","Formula":"C3H3NaO2","All.Compound.Names":"2-propenoic acid, sodium salt|Sodium 2-propenoate|Dtxsid4027652|7446-81-3","logHenry":-6.702,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9651,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.785,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.141,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.5,"MP.Reference":"EPA-CCD-OPERA","MW":94.04,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7446-81-3"}
{"Compound":"Copper(ii) chloride","CAS":"7447-39-4","CAS.Checksum":true,"DTXSID":"DTXSID7040449","Formula":"Cl2Cu","All.Compound.Names":"Copper(ii) chloride","MW":134.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7447-39-4"}
{"Compound":"Alprostadil","CAS":"745-65-3","CAS.Checksum":true,"DTXSID":"DTXSID9022578","Formula":"C20H34O5","All.Compound.Names":"Alprostadil|745-65-3|Dtxsid9022578","logHenry":-10.14,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.201,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.098,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.667,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.19,"MP.Reference":"EPA-CCD-OPERA","MW":354.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.15,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"745-65-3"}
{"Compound":"Omoconazole","CAS":"74512-12-2","CAS.Checksum":true,"DTXSID":"DTXSID7057818","Formula":"C20H17Cl3N2O2","All.Compound.Names":"Omoconazole|Dtxsid7057818|74512-12-2","logHenry":-8.516,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.766,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.921,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.718,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.7,"MP.Reference":"EPA-CCD-OPERA","MW":423.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74512-12-2"}
{"Compound":"Indecainide","CAS":"74517-78-5","CAS.Checksum":true,"DTXSID":"DTXSID2057819","Formula":"C20H24N2O","All.Compound.Names":"Indecainide|Dtxsid2057819|74517-78-5","logHenry":-10.21,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.11,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.262,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.783,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.54,"MP.Reference":"EPA-CCD-OPERA","MW":308.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74517-78-5"}
{"Compound":"Fonazine","CAS":"7456-24-8","CAS.Checksum":true,"DTXSID":"DTXSID6023076","Formula":"C19H25N3O2S2","All.Compound.Names":"Fonazine|Dtxsid6023076|7456-24-8","logHenry":-7.918,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.292,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.416,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.505,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.3,"MP.Reference":"EPA-CCD-OPERA","MW":391.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7456-24-8"}
{"Compound":"Tylosin tartrate","CAS":"74610-55-2","CAS.Checksum":true,"DTXSID":"DTXSID3045938","Formula":"C50H83NO23","All.Compound.Names":"Tylosin tartrate|Dtxsid3045938|74610-55-2","logHenry":-9.873,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7877,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.778,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.759,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.9,"MP.Reference":"EPA-CCD-OPERA","MW":1066,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74610-55-2"}
{"Compound":"Docarpamine","CAS":"74639-40-0","CAS.Checksum":true,"DTXSID":"DTXSID1057820","Formula":"C21H30N2O8S","All.Compound.Names":"Docarpamine|Dtxsid1057820|74639-40-0","logHenry":-10.29,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.304,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.319,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.227,"logWSol.Reference":"EPA-CCD-OPERA","MP":134,"MP.Reference":"EPA-CCD-OPERA","MW":470.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74639-40-0"}
{"Compound":"Cloricromen hydrochloride","CAS":"74697-28-2","CAS.Checksum":true,"DTXSID":"DTXSID9046499","Formula":"C20H27Cl2NO5","All.Compound.Names":"Cloricromen hydrochloride|Dtxsid9046499|74697-28-2","logHenry":-8.023,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.331,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.39,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.748,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.59,"MP.Reference":"EPA-CCD-OPERA","MW":432.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74697-28-2"}
{"Compound":"Hydroxychloroquine sulfate","CAS":"747-36-4","CAS.Checksum":true,"DTXSID":"DTXSID1047811","Formula":"C18H28ClN3O5S","All.Compound.Names":"Hydroxychloroquine sulfate|Dtxsid1047811|747-36-4","logHenry":-8.265,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3591,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.043,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.693,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.6,"MP.Reference":"EPA-CCD-OPERA","MW":434,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.56","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"747-36-4"}
{"Compound":"Zaltoprofen","CAS":"74711-43-6","CAS.Checksum":true,"DTXSID":"DTXSID0049076","Formula":"C17H14O3S","All.Compound.Names":"Zaltoprofen|Dtxsid0049076|74711-43-6","logHenry":-8.867,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.443,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.245,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.591,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.7,"MP.Reference":"EPA-CCD-OPERA","MW":298.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"39.8,17.7,89.7","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"74711-43-6"}
{"Compound":"Propylene glycol diacetate","CAS":"7473-98-5","CAS.Checksum":true,"DTXSID":"DTXSID8044830","Formula":"C10H12O2","All.Compound.Names":"Propylene glycol diacetate|2-hydroxy-2-methylpropiophenone|Dtxsid8044830|7473-98-5","logHenry":-7.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.192,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.291,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.516,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.93,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7473-98-5"}
{"Compound":"Ciglitizone","CAS":"74772-77-3","CAS.Checksum":true,"DTXSID":"DTXSID0040757","Formula":"C18H23NO3S","All.Compound.Names":"Ciglitizone|Dtxsid0040757|74772-77-3","logHenry":-8.324,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.817,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.548,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.709,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.3,"MP.Reference":"EPA-CCD-OPERA","MW":333.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74772-77-3"}
{"Compound":"Mercuric chloride","CAS":"7487-94-7","CAS.Checksum":true,"DTXSID":"DTXSID5020811","Formula":"Cl2Hg","All.Compound.Names":"Mercuric chloride","MW":271.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7487-94-7"}
{"Compound":"Spiperone","CAS":"749-02-0","CAS.Checksum":true,"DTXSID":"DTXSID5045205","Formula":"C23H26FN3O2","All.Compound.Names":"Spiperone|Dtxsid5045205|749-02-0","logHenry":-8.199,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.033,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.234,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.989,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.8,"MP.Reference":"EPA-CCD-OPERA","MW":395.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.61","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"749-02-0"}
{"Compound":"Piracetam","CAS":"7491-74-9","CAS.Checksum":true,"DTXSID":"DTXSID5044491","Formula":"C6H10N2O2","All.Compound.Names":"Piracetam|2-oxo-1-pyrrolidineacetamide|Dtxsid5044491|7491-74-9","logHenry":-8.589,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.539,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.16,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2753,"logWSol.Reference":"EPA-CCD-OPERA","MP":152,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7491-74-9"}
{"Compound":"Clazolam","CAS":"7492-29-7","CAS.Checksum":true,"DTXSID":"DTXSID3046249","All.Compound.Names":"Clazolam","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7492-29-7"}
{"Compound":"Potassium ricinoleate","CAS":"7492-30-0","CAS.Checksum":true,"DTXSID":"DTXSID5042322","Formula":"C18H33KO3","All.Compound.Names":"Potassium ricinoleate|Dtxsid5042322|7492-30-0","logHenry":-8.204,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.226,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.943,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.935,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.4,"MP.Reference":"EPA-CCD-OPERA","MW":336.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7492-30-0"}
{"Compound":"Isometheptene mucate","CAS":"7492-31-1","CAS.Checksum":true,"DTXSID":"DTXSID8048862","Formula":"C24H48N2O8","All.Compound.Names":"Isometheptene mucate|7492-31-1","logHenry":-5.46,"logHenry.Reference":"OPERA29","logP":2.4,"logP.Reference":"OPERA29","logWSol":-2,"logWSol.Reference":"OPERA29","MP":-64,"MP.Reference":"OPERA29","MW":492.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7492-31-1"}
{"Compound":"Isopropamide","CAS":"7492-32-2","CAS.Checksum":true,"DTXSID":"DTXSID9023174","Formula":"C23H33N2O","All.Compound.Names":"Isopropamide|Dtxsid9023174|7492-32-2","logHenry":-8.506,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.188,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.293,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.439,"logWSol.Reference":"EPA-CCD-OPERA","MP":142,"MP.Reference":"EPA-CCD-OPERA","MW":353.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7492-32-2"}
{"Compound":"Citral diethyl acetal","CAS":"7492-66-2","CAS.Checksum":true,"DTXSID":"DTXSID1024837","Formula":"C14H26O2","All.Compound.Names":"Citral diethyl acetal|Dtxsid1024837","logHenry":-4.089,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.902,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.869,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.42,"logWSol.Reference":"EPA-CCD-OPERA","MP":-49.65,"MP.Reference":"EPA-CCD-OPERA","MW":226.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7492-66-2"}
{"Compound":"1-butoxy-1-oxopropan-2-yl butanoate","CAS":"7492-70-8","CAS.Checksum":true,"DTXSID":"DTXSID3044831","Formula":"C11H20O4","All.Compound.Names":"1-butoxy-1-oxopropan-2-yl butanoate|Dtxsid3044831","logHenry":-6.711,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.696,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.094,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.708,"logWSol.Reference":"EPA-CCD-OPERA","MP":-34.99,"MP.Reference":"EPA-CCD-OPERA","MW":216.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7492-70-8"}
{"Compound":"Allyl anthranilate","CAS":"7493-63-2","CAS.Checksum":true,"DTXSID":"DTXSID3024441","Formula":"C10H11NO2","All.Compound.Names":"Allyl anthranilate|Dtxsid3024441|7493-63-2","logHenry":-8.735,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.612,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.95,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.512,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.29,"MP.Reference":"EPA-CCD-OPERA","MW":177.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7493-63-2"}
{"Compound":"Allyl nonanoate","CAS":"7493-72-3","CAS.Checksum":true,"DTXSID":"DTXSID3024447","Formula":"C12H22O2","All.Compound.Names":"Allyl nonanoate|Dtxsid3024447","logHenry":-3.793,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.256,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.551,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.239,"logWSol.Reference":"EPA-CCD-OPERA","MP":-48.44,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7493-72-3"}
{"Compound":"Acetonitrile","CAS":"75-05-8","CAS.Checksum":true,"DTXSID":"DTXSID7020009","Formula":"C2H3N","All.Compound.Names":"Acetonitrile|Dtxsid7020009","logHenry":-4.46,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3397,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.635,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.102,"logWSol.Reference":"EPA-CCD-OPERA","MP":-43.91,"MP.Reference":"EPA-CCD-OPERA","MW":41.05,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-05-8"}
{"Compound":"Acetaldehyde","CAS":"75-07-0","CAS.Checksum":true,"DTXSID":"DTXSID5039224","Formula":"C2H4O","All.Compound.Names":"Acetaldehyde|Dtxsid5039224","logHenry":-4.18,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3381,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.133,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.206,"logWSol.Reference":"EPA-CCD-OPERA","MP":-122.9,"MP.Reference":"EPA-CCD-OPERA","MW":44.05,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-07-0"}
{"Compound":"Dichloromethane","CAS":"75-09-2","CAS.Checksum":true,"DTXSID":"DTXSID0020868","Formula":"CH2Cl2","All.Compound.Names":"Dichloromethane|Dtxsid0020868","logHenry":-2.486,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.251,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.04,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7534,"logWSol.Reference":"EPA-CCD-OPERA","MP":-94.92,"MP.Reference":"EPA-CCD-OPERA","MW":84.93,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"13.72","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.7057","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"74.39","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.3875","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"75-09-2"}
{"Compound":"Formamide","CAS":"75-12-7","CAS.Checksum":true,"DTXSID":"DTXSID8025337","Formula":"CH3NO","All.Compound.Names":"Formamide|Dtxsid8025337|75-12-7","logHenry":-7.012,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.508,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.592,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.347,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.591,"MP.Reference":"EPA-CCD-OPERA","MW":45.04,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-12-7"}
{"Compound":"Carbon disulfide","CAS":"75-15-0","CAS.Checksum":true,"DTXSID":"DTXSID6023947","Formula":"CS2","All.Compound.Names":"Carbon disulfide|Dtxsid6023947","logHenry":-1.844,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.94,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3982,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.807,"logWSol.Reference":"EPA-CCD-OPERA","MP":-111.3,"MP.Reference":"EPA-CCD-OPERA","MW":76.13,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-15-0"}
{"Compound":"Bromoform","CAS":"75-25-2","CAS.Checksum":true,"DTXSID":"DTXSID1021374","Formula":"CHBr3","All.Compound.Names":"Bromoform|Dtxsid1021374","logHenry":-3.269,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.535,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.442,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.899,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.094,"MP.Reference":"EPA-CCD-OPERA","MW":252.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-25-2"}
{"Compound":"2-bromopropane","CAS":"75-26-3","CAS.Checksum":true,"DTXSID":"DTXSID7030197","Formula":"C3H7Br","All.Compound.Names":"2-bromopropane|Dtxsid7030197","logHenry":-1.817,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.14,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.4673,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.599,"logWSol.Reference":"EPA-CCD-OPERA","MP":-89.41,"MP.Reference":"EPA-CCD-OPERA","MW":123,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-26-3"}
{"Compound":"Bromodichloromethane","CAS":"75-27-4","CAS.Checksum":true,"DTXSID":"DTXSID1020198","Formula":"CHBrCl2","All.Compound.Names":"Bromodichloromethane|Dtxsid1020198","logHenry":-2.675,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.05,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7641,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.635,"logWSol.Reference":"EPA-CCD-OPERA","MP":-55.99,"MP.Reference":"EPA-CCD-OPERA","MW":163.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-27-4"}
{"Compound":"Isopropyl mercaptan","CAS":"75-33-2","CAS.Checksum":true,"DTXSID":"DTXSID1025481","Formula":"C3H8S","All.Compound.Names":"Isopropyl mercaptan|Dtxsid1025481|75-33-2","logHenry":-2.333,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.48,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7168,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.553,"logWSol.Reference":"EPA-CCD-OPERA","MP":-129.9,"MP.Reference":"EPA-CCD-OPERA","MW":76.16,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-33-2"}
{"Compound":"1,1-dichloroethane","CAS":"75-34-3","CAS.Checksum":true,"DTXSID":"DTXSID1020437","Formula":"C2H4Cl2","All.Compound.Names":"1,1-dichloroethane|Dtxsid1020437","logHenry":-2.247,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.79,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5344,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.291,"logWSol.Reference":"EPA-CCD-OPERA","MP":-96.53,"MP.Reference":"EPA-CCD-OPERA","MW":98.95,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-34-3"}
{"Compound":"1,1-dichloroethylene","CAS":"75-35-4","CAS.Checksum":true,"DTXSID":"DTXSID8021438","Formula":"C2H2Cl2","All.Compound.Names":"1,1-dichloroethylene|Dtxsid8021438","logHenry":-1.589,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.13,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.4678,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.624,"logWSol.Reference":"EPA-CCD-OPERA","MP":-121.9,"MP.Reference":"EPA-CCD-OPERA","MW":96.94,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"123.5","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.428","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"669.5","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.2724","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"75-35-4"}
{"Compound":"Iodoform","CAS":"75-47-8","CAS.Checksum":true,"DTXSID":"DTXSID4020743","Formula":"CHI3","All.Compound.Names":"Iodoform|Dtxsid4020743","logHenry":-2.812,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.64,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.195,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.593,"logWSol.Reference":"EPA-CCD-OPERA","MP":119,"MP.Reference":"EPA-CCD-OPERA","MW":393.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-47-8"}
{"Compound":"Trimethylamine","CAS":"75-50-3","CAS.Checksum":true,"DTXSID":"DTXSID2026238","Formula":"C3H9N","All.Compound.Names":"Trimethylamine|Dtxsid2026238|75-50-3","logHenry":-3.982,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1606,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.924,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.176,"logWSol.Reference":"EPA-CCD-OPERA","MP":-132.2,"MP.Reference":"EPA-CCD-OPERA","MW":59.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-50-3"}
{"Compound":"Nitromethane","CAS":"75-52-5","CAS.Checksum":true,"DTXSID":"DTXSID2020977","Formula":"CH3NO2","All.Compound.Names":"Nitromethane|Dtxsid2020977","logHenry":-4.543,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3009,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.735,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2465,"logWSol.Reference":"EPA-CCD-OPERA","MP":-28.56,"MP.Reference":"EPA-CCD-OPERA","MW":61.04,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-52-5"}
{"Compound":"Propyleneimine","CAS":"75-55-8","CAS.Checksum":true,"DTXSID":"DTXSID8024286","Formula":"C3H7N","All.Compound.Names":"Propyleneimine|Dtxsid8024286|75-55-8","logHenry":-5.271,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.08845,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.775,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.242,"logWSol.Reference":"EPA-CCD-OPERA","MP":-65.04,"MP.Reference":"EPA-CCD-OPERA","MW":57.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-55-8"}
{"Compound":"Tetramethylammonium chloride","CAS":"75-57-0","CAS.Checksum":true,"DTXSID":"DTXSID6021749","Formula":"C4H12ClN","All.Compound.Names":"Tetramethylammonium chloride|Dtxsid6021749|75-57-0","logHenry":-0.6825,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.64,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.433,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2409,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.91,"MP.Reference":"EPA-CCD-OPERA","MW":109.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-57-0"}
{"Compound":"Methanaminium, n,n,n-trimethyl-, hydroxide","CAS":"75-59-2","CAS.Checksum":true,"DTXSID":"DTXSID3029108","Formula":"C4H13NO","All.Compound.Names":"Methanaminium, n,n,n-trimethyl-, hydroxide|Tetramethylammonium hydroxide|Dtxsid3029108|75-59-2","logHenry":-0.6825,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.123,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.917,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2409,"logWSol.Reference":"EPA-CCD-OPERA","MP":-88.16,"MP.Reference":"EPA-CCD-OPERA","MW":91.15,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-59-2"}
{"Compound":"Bromotrichloromethane","CAS":"75-62-7","CAS.Checksum":true,"DTXSID":"DTXSID7023930","Formula":"CBrCl3","All.Compound.Names":"Bromotrichloromethane|Dtxsid7023930","logHenry":-1.361,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.541,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6388,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.509,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.856,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-62-7"}
{"Compound":"Tert-butylamine","CAS":"75-64-9","CAS.Checksum":true,"DTXSID":"DTXSID5024681","Formula":"C4H11N","All.Compound.Names":"Tert-butylamine|Dtxsid5024681|75-64-9","logHenry":-4.747,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.401,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.454,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.136,"logWSol.Reference":"EPA-CCD-OPERA","MP":-72.8,"MP.Reference":"EPA-CCD-OPERA","MW":73.14,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-64-9"}
{"Compound":"2-methyl-2-propanethiol","CAS":"75-66-1","CAS.Checksum":true,"DTXSID":"DTXSID0026418","Formula":"C4H10S","All.Compound.Names":"2-methyl-2-propanethiol|T-butyl mercaptan|Dtxsid0026418|Tert-butyl mercaptan|75-66-1","logHenry":-2.314,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.037,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1866,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.158,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.522,"MP.Reference":"EPA-CCD-OPERA","MW":90.18,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-66-1"}
{"Compound":"Trichlorofluoromethane","CAS":"75-69-4","CAS.Checksum":true,"DTXSID":"DTXSID5021384","Formula":"CCl3F","All.Compound.Names":"Trichlorofluoromethane|Dtxsid5021384","logHenry":-1.012,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.529,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3348,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.098,"logWSol.Reference":"EPA-CCD-OPERA","MP":-110.9,"MP.Reference":"EPA-CCD-OPERA","MW":137.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-69-4"}
{"Compound":"Methanesulfonic acid","CAS":"75-75-2","CAS.Checksum":true,"DTXSID":"DTXSID4026422","Formula":"CH4O3S","All.Compound.Names":"Methanesulfonic acid|Dtxsid4026422|75-75-2","logHenry":-7.655,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3949,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.483,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.016,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.88,"MP.Reference":"EPA-CCD-OPERA","MW":96.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-75-2"}
{"Compound":"Tetramethylsilane","CAS":"75-76-3","CAS.Checksum":true,"DTXSID":"DTXSID9026423","Formula":"C4H12Si","All.Compound.Names":"Tetramethylsilane|Dtxsid9026423","logHenry":-0.06377,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.24,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.446,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.65,"logWSol.Reference":"EPA-CCD-OPERA","MP":-98.97,"MP.Reference":"EPA-CCD-OPERA","MW":88.22,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-76-3"}
{"Compound":"Chlorotrimethylsilane","CAS":"75-77-4","CAS.Checksum":true,"DTXSID":"DTXSID2024822","Formula":"C3H9ClSi","All.Compound.Names":"Chlorotrimethylsilane|Dtxsid2024822","logHenry":-0.6867,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.639,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.432,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.406,"logWSol.Reference":"EPA-CCD-OPERA","MP":-40.09,"MP.Reference":"EPA-CCD-OPERA","MW":108.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-77-4"}
{"Compound":"2,2-dimethylbutane","CAS":"75-83-2","CAS.Checksum":true,"DTXSID":"DTXSID4025111","Formula":"C6H14","All.Compound.Names":"2,2-dimethylbutane|Dtxsid4025111","logHenry":-0.3444,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.817,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.118,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.61,"logWSol.Reference":"EPA-CCD-OPERA","MP":-101.1,"MP.Reference":"EPA-CCD-OPERA","MW":86.18,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-83-2"}
{"Compound":"2-methyl-2-butanol","CAS":"75-85-4","CAS.Checksum":true,"DTXSID":"DTXSID0041436","Formula":"C5H12O","All.Compound.Names":"2-methyl-2-butanol|Dtxsid0041436|75-85-4","logHenry":-4.859,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8909,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.175,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01492,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.516,"MP.Reference":"EPA-CCD-OPERA","MW":88.15,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-85-4"}
{"Compound":"2-hydroxy-2-methylpropanenitrile","CAS":"75-86-5","CAS.Checksum":true,"DTXSID":"DTXSID7025427","Formula":"C4H7NO","All.Compound.Names":"2-hydroxy-2-methylpropanenitrile|Dtxsid7025427|75-86-5","logHenry":-6.693,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.929,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.178,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.069,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.97,"MP.Reference":"EPA-CCD-OPERA","MW":85.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-86-5"}
{"Compound":"2,2,2-trifluoroethanol","CAS":"75-89-8","CAS.Checksum":true,"DTXSID":"DTXSID0021751","Formula":"C2H3F3O","All.Compound.Names":"2,2,2-trifluoroethanol|Dtxsid0021751|75-89-8","logHenry":-4.763,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4095,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.244,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9988,"logWSol.Reference":"EPA-CCD-OPERA","MP":-43.44,"MP.Reference":"EPA-CCD-OPERA","MW":100,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-89-8"}
{"Compound":"Pentabromoethane","CAS":"75-95-6","CAS.Checksum":true,"DTXSID":"DTXSID8025830","Formula":"C2HBr5","All.Compound.Names":"Pentabromoethane|Dtxsid8025830","logHenry":-2.575,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.079,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.012,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.116,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.42,"MP.Reference":"EPA-CCD-OPERA","MW":424.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-95-6"}
{"Compound":"Tribromoacetic acid","CAS":"75-96-7","CAS.Checksum":true,"DTXSID":"DTXSID6021668","Formula":"C2HBr3O2","All.Compound.Names":"Tribromoacetic acid|Dtxsid6021668|75-96-7","logHenry":-8.476,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.834,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.551,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1721,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.8,"MP.Reference":"EPA-CCD-OPERA","MW":296.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-96-7"}
{"Compound":"3,3-dimethyl-2-butanone","CAS":"75-97-8","CAS.Checksum":true,"DTXSID":"DTXSID5021752","Formula":"C6H12O","All.Compound.Names":"3,3-dimethyl-2-butanone|Dtxsid5021752","logHenry":-4.139,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.203,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.986,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.724,"logWSol.Reference":"EPA-CCD-OPERA","MP":-52.85,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-97-8"}
{"Compound":"2,2-dimethylpropanoic acid","CAS":"75-98-9","CAS.Checksum":true,"DTXSID":"DTXSID8026432","Formula":"C5H10O2","All.Compound.Names":"2,2-dimethylpropanoic acid|Dtxsid8026432|75-98-9","logHenry":-5.562,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.48,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.765,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6695,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.5,"MP.Reference":"EPA-CCD-OPERA","MW":102.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-98-9"}
{"Compound":"N-acetylglucosamine","CAS":"7512-17-6","CAS.Checksum":true,"DTXSID":"DTXSID3045855","Formula":"C8H15NO6","All.Compound.Names":"N-acetylglucosamine|Dtxsid3045855|7512-17-6","logHenry":-9.768,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.224,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.9,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3718,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.3,"MP.Reference":"EPA-CCD-OPERA","MW":221.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7512-17-6"}
{"Compound":"Riboflavin tetrabutyrate","CAS":"752-56-7","CAS.Checksum":true,"DTXSID":"DTXSID6046892","Formula":"C33H44N4O10","All.Compound.Names":"Riboflavin tetrabutyrate|Dtxsid6046892|752-56-7","logHenry":-8.118,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.119,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.6,"MP.Reference":"EPA-CCD-OPERA","MW":656.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"752-56-7"}
{"Compound":"Nemonapride","CAS":"75272-39-8","CAS.Checksum":true,"DTXSID":"DTXSID0042612","Formula":"C21H26ClN3O2","All.Compound.Names":"Nemonapride|Dtxsid0042612|75272-39-8","logHenry":-10.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.134,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.415,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.019,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.9,"MP.Reference":"EPA-CCD-OPERA","MW":387.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75272-39-8"}
{"Compound":"Sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate","CAS":"75277-39-3","CAS.Checksum":true,"DTXSID":"DTXSID4044458","Formula":"C8H17N2NaO4S","All.Compound.Names":"Sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate|Dtxsid4044458","logHenry":-8.289,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8168,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.951,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8175,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.5,"MP.Reference":"EPA-CCD-OPERA","MW":260.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75277-39-3"}
{"Compound":"4-methylmorpholine 4-oxide","CAS":"7529-22-8","CAS.Checksum":true,"DTXSID":"DTXSID3029287","Formula":"C5H11NO2","All.Compound.Names":"4-methylmorpholine 4-oxide|Dtxsid3029287|7529-22-8","logHenry":-4.557,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1492,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.21,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7491,"logWSol.Reference":"EPA-CCD-OPERA","MP":-26.58,"MP.Reference":"EPA-CCD-OPERA","MW":117.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7529-22-8"}
{"Compound":"Dimethyltin dichloride","CAS":"753-73-1","CAS.Checksum":true,"DTXSID":"DTXSID5027304","Formula":"C2H6Cl2Sn","All.Compound.Names":"Dimethyltin dichloride","MW":219.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"753-73-1"}
{"Compound":"Isobornyl methacrylate","CAS":"7534-94-3","CAS.Checksum":true,"DTXSID":"DTXSID9027653","Formula":"C14H22O2","All.Compound.Names":"Isobornyl methacrylate|Dtxsid9027653","logHenry":-3.711,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.744,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.819,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.004,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.34,"MP.Reference":"EPA-CCD-OPERA","MW":222.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7534-94-3"}
{"Compound":"Ditridecyl phthalate (mixture of branched chain isomers)","CAS":"75359-31-8","CAS.Checksum":true,"DTXSID":"DTXSID1047027","All.Compound.Names":"Ditridecyl phthalate (mixture of branched chain isomers)","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75359-31-8"}
{"Compound":"(s)-(-)-beta-citronellol","CAS":"7540-51-4","CAS.Checksum":true,"DTXSID":"DTXSID1041550","Formula":"C10H20O","All.Compound.Names":"(s)-(-)-beta-citronellol|Dtxsid1041550|7540-51-4","logHenry":-5.295,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.909,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.467,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.675,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.674,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7540-51-4"}
{"Compound":"Aclarubicin hydrochloride","CAS":"75443-99-1","CAS.Checksum":true,"DTXSID":"DTXSID4046658","Formula":"C42H54ClNO15","All.Compound.Names":"Aclarubicin hydrochloride|Dtxsid4046658|75443-99-1","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.756,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.806,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.715,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.6,"MP.Reference":"EPA-CCD-OPERA","MW":848.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75443-99-1"}
{"Compound":"Pirenperone","CAS":"75444-65-4","CAS.Checksum":true,"DTXSID":"DTXSID9045182","Formula":"C23H24FN3O2","All.Compound.Names":"Pirenperone|Dtxsid9045182|75444-65-4","logHenry":-7.624,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.398,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.296,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.778,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.8,"MP.Reference":"EPA-CCD-OPERA","MW":393.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75444-65-4"}
{"Compound":"Anisyl propionate","CAS":"7549-33-9","CAS.Checksum":true,"DTXSID":"DTXSID8047713","Formula":"C11H14O3","All.Compound.Names":"Anisyl propionate|Dtxsid8047713","logHenry":-6.165,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.595,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.476,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.229,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.74,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7549-33-9"}
{"Compound":"1,1-dimethoxy-3,7-dimethylocta-2,6-diene","CAS":"7549-37-3","CAS.Checksum":true,"DTXSID":"DTXSID8044832","Formula":"C12H22O2","All.Compound.Names":"1,1-dimethoxy-3,7-dimethylocta-2,6-diene|Dtxsid8044832","logHenry":-3.904,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.949,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.776,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.971,"logWSol.Reference":"EPA-CCD-OPERA","MP":-52.69,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7549-37-3"}
{"Compound":"Cefminox sodium","CAS":"75498-96-3","CAS.Checksum":true,"DTXSID":"DTXSID6048591","Formula":"C16H20N7NaO7S3","All.Compound.Names":"Cefminox sodium|Dtxsid6048591|75498-96-3","logHenry":-10.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4075,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.894,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.776,"logWSol.Reference":"EPA-CCD-OPERA","MP":184,"MP.Reference":"EPA-CCD-OPERA","MW":541.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75498-96-3"}
{"Compound":"Flupirtine maleate","CAS":"75507-68-5","CAS.Checksum":true,"DTXSID":"DTXSID8045771","Formula":"C19H21FN4O6","All.Compound.Names":"Flupirtine maleate|Dtxsid8045771|75507-68-5","logHenry":-9.715,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6875,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.609,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.982,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.6,"MP.Reference":"EPA-CCD-OPERA","MW":420.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75507-68-5"}
{"Compound":"Amperozide hydrochloride","CAS":"75529-73-6","CAS.Checksum":true,"DTXSID":"DTXSID5045750","All.Compound.Names":"Amperozide hydrochloride","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75529-73-6"}
{"Compound":"Iodine","CAS":"7553-56-2","CAS.Checksum":true,"DTXSID":"DTXSID7034672","Formula":"I2","All.Compound.Names":"Iodine","MW":253.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7553-56-2"}
{"Compound":"N,n-dipropyltryptamine hydrochloride","CAS":"7558-73-8","CAS.Checksum":true,"DTXSID":"DTXSID5048897","Formula":"C16H25ClN2","All.Compound.Names":"N,n-dipropyltryptamine hydrochloride|Dtxsid5048897|7558-73-8","logHenry":-5.578,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7857,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.839,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.467,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.5,"MP.Reference":"EPA-CCD-OPERA","MW":280.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7558-73-8"}
{"Compound":"N-cyclohexyl-n-methylcyclohexanamine","CAS":"7560-83-0","CAS.Checksum":true,"DTXSID":"DTXSID6044727","Formula":"C13H25N","All.Compound.Names":"N-cyclohexyl-n-methylcyclohexanamine|Dtxsid6044727|7560-83-0","logHenry":-3.088,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.71,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.973,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.99,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.84,"MP.Reference":"EPA-CCD-OPERA","MW":195.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7560-83-0"}
{"Compound":"Leflunomide","CAS":"75706-12-6","CAS.Checksum":true,"DTXSID":"DTXSID9023201","Formula":"C12H9F3N2O2","All.Compound.Names":"Leflunomide|75706-12-6|Dtxsid9023201","logHenry":-9.634,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.141,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.217,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.922,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.9,"MP.Reference":"EPA-CCD-OPERA","MW":270.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Human.Foral":0.8,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"75706-12-6"}
{"Compound":"Cefmenoxime hydrochloride","CAS":"75738-58-8","CAS.Checksum":true,"DTXSID":"DTXSID0046646","Formula":"C32H35ClN18O10S6","All.Compound.Names":"Cefmenoxime hydrochloride|Dtxsid0046646|75738-58-8","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5778,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.908,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.985,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.1,"MP.Reference":"EPA-CCD-OPERA","MW":1060,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.51","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75738-58-8"}
{"Compound":"Tanespimycin","CAS":"75747-14-7","CAS.Checksum":true,"DTXSID":"DTXSID5046352","Formula":"C31H43N3O8","All.Compound.Names":"Tanespimycin|Dtxsid5046352|75747-14-7","logHenry":-9.217,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3633,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.348,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.594,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.1,"MP.Reference":"EPA-CCD-OPERA","MW":585.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75747-14-7"}
{"Compound":"Dibenzyl oxalate","CAS":"7579-36-4","CAS.Checksum":true,"DTXSID":"DTXSID4038926","Formula":"C16H14O4","All.Compound.Names":"Dibenzyl oxalate|Dtxsid4038926","logHenry":-7.233,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.336,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.62,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.182,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.15,"MP.Reference":"EPA-CCD-OPERA","MW":270.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7579-36-4"}
{"Compound":"2,3-dichlorobutane","CAS":"7581-97-7","CAS.Checksum":true,"DTXSID":"DTXSID8021565","Formula":"C4H8Cl2","All.Compound.Names":"2,3-dichlorobutane|Dtxsid8021565","logHenry":-2.925,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.634,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5966,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.462,"logWSol.Reference":"EPA-CCD-OPERA","MP":-79.22,"MP.Reference":"EPA-CCD-OPERA","MW":127,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7581-97-7"}
{"Compound":"Tolrestat","CAS":"75820-08-5","CAS.Checksum":true,"DTXSID":"DTXSID6048834","Formula":"C16H16ClN3O3S","All.Compound.Names":"Tolrestat|Zipadamide|Dtxsid6048834|75820-08-5","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9027,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.42,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.176,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.2,"MP.Reference":"EPA-CCD-OPERA","MW":365.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75820-08-5"}
{"Compound":"Enalapril","CAS":"75847-73-3","CAS.Checksum":true,"DTXSID":"DTXSID5022982","Formula":"C20H28N2O5","All.Compound.Names":"Enalapril|75847-73-3|Dtxsid5022982","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.07369,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.353,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.825,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.5,"MP.Reference":"EPA-CCD-OPERA","MW":376.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.229,0.0451,1.16","Human.Caco2.Pab.Reference":"Lanevskij","Human.Foral":0.635,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"75847-73-3"}
{"Compound":"Beta-cyclodextrin","CAS":"7585-39-9","CAS.Checksum":true,"DTXSID":"DTXSID1020358","Formula":"C42H70O35","All.Compound.Names":"Beta-cyclodextrin|Dtxsid1020358","logHenry":-10.56,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.758,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.4,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.517,"logWSol.Reference":"EPA-CCD-OPERA","MP":202,"MP.Reference":"EPA-CCD-OPERA","MW":1135,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7585-39-9"}
{"Compound":"Rimcazole dihydrochloride","CAS":"75859-03-9","CAS.Checksum":true,"DTXSID":"DTXSID2048161","Formula":"C21H29Cl2N3","All.Compound.Names":"Rimcazole dihydrochloride|Dtxsid2048161|75859-03-9","logHenry":-10.35,"logHenry.Reference":"OPERA29","logP":1.57,"logP.Reference":"OPERA29","logWSol":-3.23,"logWSol.Reference":"OPERA29","MP":187,"MP.Reference":"OPERA29","MW":394.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75859-03-9"}
{"Compound":"Artemotil","CAS":"75887-54-6","CAS.Checksum":true,"DTXSID":"DTXSID6057821","Formula":"C17H28O5","All.Compound.Names":"Artemotil|Dtxsid6057821","logHenry":-5.847,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.889,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.981,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.517,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.67,"MP.Reference":"EPA-CCD-OPERA","MW":312.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75887-54-6"}
{"Compound":"4-hydroxy-2-nonenal","CAS":"75899-68-2","CAS.Checksum":true,"DTXSID":"DTXSID4040395","Formula":"C9H16O2","All.Compound.Names":"4-hydroxy-2-nonenal|(2e)-4-hydroxy-2-nonenal|Dtxsid4040395|75899-68-2","logHenry":-6.845,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.086,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.532,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.446,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.846,"MP.Reference":"EPA-CCD-OPERA","MW":156.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75899-68-2"}
{"Compound":"1-ethyl-1-nitrosourea","CAS":"759-73-9","CAS.Checksum":true,"DTXSID":"DTXSID8020593","Formula":"C3H7N3O2","All.Compound.Names":"1-ethyl-1-nitrosourea|Dtxsid8020593|759-73-9","logHenry":-7.786,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2295,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.467,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9549,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.8,"MP.Reference":"EPA-CCD-OPERA","MW":117.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-1.66","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"759-73-9"}
{"Compound":"Ubistatin a","CAS":"759437-26-8","CAS.Checksum":true,"DTXSID":"DTXSID0048763","Formula":"C34H24N4O16S4","All.Compound.Names":"Ubistatin a|Dtxsid0048763|759437-26-8","logHenry":-10.61,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.505,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.094,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4718,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.8,"MP.Reference":"EPA-CCD-OPERA","MW":872.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"759437-26-8"}
{"Compound":"Nuclomedone","CAS":"75963-52-9","CAS.Checksum":true,"DTXSID":"DTXSID2046208","Formula":"C13H11ClN2O2S","All.Compound.Names":"Nuclomedone|Dtxsid2046208|75963-52-9","logHenry":-8.905,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.14,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.71,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.047,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.6,"MP.Reference":"EPA-CCD-OPERA","MW":294.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75963-52-9"}
{"Compound":"Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide","CAS":"75980-60-8","CAS.Checksum":true,"DTXSID":"DTXSID4052502","Formula":"C22H21O2P","All.Compound.Names":"Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide|Dtxsid4052502","logHenry":-8.188,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.452,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.241,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.017,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.2,"MP.Reference":"EPA-CCD-OPERA","MW":348.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75980-60-8"}
{"Compound":"Pentachloroethane","CAS":"76-01-7","CAS.Checksum":true,"DTXSID":"DTXSID7021104","Formula":"C2HCl5","All.Compound.Names":"Pentachloroethane|Dtxsid7021104","logHenry":-2.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.22,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9242,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.613,"logWSol.Reference":"EPA-CCD-OPERA","MP":-28.9,"MP.Reference":"EPA-CCD-OPERA","MW":202.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76-01-7"}
{"Compound":"Trichloroacetyl chloride","CAS":"76-02-8","CAS.Checksum":true,"DTXSID":"DTXSID9034070","Formula":"C2Cl4O","All.Compound.Names":"Trichloroacetyl chloride|Dtxsid9034070","logHenry":-3.293,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.21,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.63,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9499,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.327,"MP.Reference":"EPA-CCD-OPERA","MW":181.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76-02-8"}
{"Compound":"Trichloroacetic acid","CAS":"76-03-9","CAS.Checksum":true,"DTXSID":"DTXSID1021378","Formula":"C2HCl3O2","All.Compound.Names":"Trichloroacetic acid|Dtxsid1021378|76-03-9","logHenry":-7.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.331,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.432,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3773,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.46,"MP.Reference":"EPA-CCD-OPERA","MW":163.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76-03-9"}
{"Compound":"Chloropicrin","CAS":"76-06-2","CAS.Checksum":true,"DTXSID":"DTXSID0020315","Formula":"CCl3NO2","All.Compound.Names":"Chloropicrin|Trichloronitromethane|Dtxsid0020315","logHenry":-2.686,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.088,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9888,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.744,"logWSol.Reference":"EPA-CCD-OPERA","MP":-63.93,"MP.Reference":"EPA-CCD-OPERA","MW":164.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76-06-2"}
{"Compound":"1,2-difluoro-1,1,2,2-tetrachloroethane","CAS":"76-12-0","CAS.Checksum":true,"DTXSID":"DTXSID5026091","Formula":"C2Cl4F2","All.Compound.Names":"1,2-difluoro-1,1,2,2-tetrachloroethane|Dtxsid5026091","logHenry":-1.216,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.829,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8814,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.218,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.65,"MP.Reference":"EPA-CCD-OPERA","MW":203.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76-12-0"}
{"Compound":"1,1,2-trichloro-1,2,2-trifluoroethane","CAS":"76-13-1","CAS.Checksum":true,"DTXSID":"DTXSID6021377","Formula":"C2Cl3F3","All.Compound.Names":"1,1,2-trichloro-1,2,2-trifluoroethane|Dtxsid6021377","logHenry":-0.8202,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.158,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3389,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.039,"logWSol.Reference":"EPA-CCD-OPERA","MP":-35.15,"MP.Reference":"EPA-CCD-OPERA","MW":187.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.2524","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.3622","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"1.369","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.1105","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"76-13-1"}
{"Compound":"Sulfonethylmethane","CAS":"76-20-0","CAS.Checksum":true,"DTXSID":"DTXSID7046411","Formula":"C8H18O4S2","All.Compound.Names":"Sulfonethylmethane|Dtxsid7046411","logHenry":-5.953,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.484,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.634,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.767,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.25,"MP.Reference":"EPA-CCD-OPERA","MW":242.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76-20-0"}
{"Compound":"Camphor","CAS":"76-22-2","CAS.Checksum":true,"DTXSID":"DTXSID5030955","Formula":"C10H16O","All.Compound.Names":"Camphor|Dtxsid5030955","logHenry":-4.102,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.384,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.462,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.242,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.6,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76-22-2"}
{"Compound":"Methoxyflurane","CAS":"76-38-0","CAS.Checksum":true,"DTXSID":"DTXSID7025556","Formula":"C3H4Cl2F2O","All.Compound.Names":"Methoxyflurane|Dtxsid7025556","logHenry":-2.432,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.21,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9229,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.205,"logWSol.Reference":"EPA-CCD-OPERA","MP":-35.13,"MP.Reference":"EPA-CCD-OPERA","MW":165,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76-38-0"}
{"Compound":"2-methyl-2-nitro-1-propanol","CAS":"76-39-1","CAS.Checksum":true,"DTXSID":"DTXSID8026436","Formula":"C4H9NO3","All.Compound.Names":"2-methyl-2-nitro-1-propanol|Dtxsid8026436|76-39-1","logHenry":-4.922,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.0725,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.135,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.462,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.16,"MP.Reference":"EPA-CCD-OPERA","MW":119.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76-39-1"}
{"Compound":"Fluoxymestrone","CAS":"76-43-7","CAS.Checksum":true,"DTXSID":"DTXSID8033512","Formula":"C20H29FO3","All.Compound.Names":"Fluoxymestrone|76-43-7|Dtxsid8033512","logHenry":-8.075,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.381,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.88,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.179,"logWSol.Reference":"EPA-CCD-OPERA","MP":270,"MP.Reference":"EPA-CCD-OPERA","MW":336.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"76-43-7"}
{"Compound":"Hydrocortamate","CAS":"76-47-1","CAS.Checksum":true,"DTXSID":"DTXSID1057824","Formula":"C27H41NO6","All.Compound.Names":"Hydrocortamate|Dtxsid1057824|76-47-1","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.712,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.903,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.729,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.6,"MP.Reference":"EPA-CCD-OPERA","MW":475.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76-47-1"}
{"Compound":"Bornyl acetate","CAS":"76-49-3","CAS.Checksum":true,"DTXSID":"DTXSID7041675","Formula":"C12H20O2","All.Compound.Names":"Bornyl acetate|(?)-bornyl acetate|Dtxsid7041675","logHenry":-3.18,"logHenry.Reference":"OPERA29","logP":4.3,"logP.Reference":"OPERA29","logWSol":-3.5,"logWSol.Reference":"OPERA29","MP":19,"MP.Reference":"OPERA29","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76-49-3"}
{"Compound":"Ethylmorphine","CAS":"76-58-4","CAS.Checksum":true,"DTXSID":"DTXSID1046760","Formula":"C19H23NO3","All.Compound.Names":"Ethylmorphine|76-58-4|Dtxsid1046760","logHenry":-8.092,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.645,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.339,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.079,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.5,"MP.Reference":"EPA-CCD-OPERA","MW":313.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human|Rat|Dog","Dog.Foral":0.26,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.28,"Human.Foral.Reference":"Musther 2014","Rat.Foral":0.057,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"76-58-4"}
{"Compound":"Trityl chloride","CAS":"76-83-5","CAS.Checksum":true,"DTXSID":"DTXSID3052511","Formula":"C19H15Cl","All.Compound.Names":"Trityl chloride|Dtxsid3052511","logHenry":-5.041,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.251,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.39,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.104,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.6,"MP.Reference":"EPA-CCD-OPERA","MW":278.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76-83-5"}
{"Compound":"Mepenzolate bromide","CAS":"76-90-4","CAS.Checksum":true,"DTXSID":"DTXSID4023252","Formula":"C21H26BrNO3","All.Compound.Names":"Mepenzolate bromide|Dtxsid4023252|76-90-4","logHenry":-8.553,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.969,"logP.Reference":"EPA-CCD-OPERA","logPwa":13.37,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.673,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.3,"MP.Reference":"EPA-CCD-OPERA","MW":420.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76-90-4"}
{"Compound":"3,4-dichloro-1-butene","CAS":"760-23-6","CAS.Checksum":true,"DTXSID":"DTXSID8022113","Formula":"C4H6Cl2","All.Compound.Names":"3,4-dichloro-1-butene|Dtxsid8022113","logHenry":-2.962,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.002,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.533,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.467,"logWSol.Reference":"EPA-CCD-OPERA","MP":-60.42,"MP.Reference":"EPA-CCD-OPERA","MW":125,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"760-23-6"}
{"Compound":"2-ethylhexanoyl chloride","CAS":"760-67-8","CAS.Checksum":true,"DTXSID":"DTXSID5027308","Formula":"C8H15ClO","All.Compound.Names":"2-ethylhexanoyl chloride|Dtxsid5027308","logHenry":-4.019,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.972,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.858,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.693,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.17,"MP.Reference":"EPA-CCD-OPERA","MW":162.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"760-67-8"}
{"Compound":"Metocurine iodide","CAS":"7601-55-0","CAS.Checksum":true,"DTXSID":"DTXSID9022944","Formula":"C40H48I2N2O6","All.Compound.Names":"Metocurine iodide|Dtxsid9022944|7601-55-0","logHenry":-7.414,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.4,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.274,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.42,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.4,"MP.Reference":"EPA-CCD-OPERA","MW":906.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7601-55-0"}
{"Compound":"4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol","CAS":"76014-81-8","CAS.Checksum":true,"DTXSID":"DTXSID8020880","Formula":"C10H15N3O2","All.Compound.Names":"4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol|Dtxsid8020880|76014-81-8","logHenry":-6.762,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.891,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.489,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6168,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.5,"MP.Reference":"EPA-CCD-OPERA","MW":209.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76014-81-8"}
{"Compound":"1,4-bis[2-(3,5-dichloropyridyloxy)]benzene","CAS":"76150-91-9","CAS.Checksum":true,"DTXSID":"DTXSID8020175","Formula":"C16H8Cl4N2O2","All.Compound.Names":"1,4-bis[2-(3,5-dichloropyridyloxy)]benzene|Dtxsid8020175|76150-91-9","logHenry":-4.931,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.035,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.689,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.108,"logWSol.Reference":"EPA-CCD-OPERA","MP":116,"MP.Reference":"EPA-CCD-OPERA","MW":402,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76150-91-9"}
{"Compound":"Laurixamine","CAS":"7617-74-5","CAS.Checksum":true,"DTXSID":"DTXSID3046241","Formula":"C15H33NO","All.Compound.Names":"Laurixamine|3-(dodecyloxy)propylamine|Dtxsid3046241|7617-74-5","logHenry":-4.849,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.859,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.916,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.727,"logWSol.Reference":"EPA-CCD-OPERA","MP":3.055,"MP.Reference":"EPA-CCD-OPERA","MW":243.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7617-74-5"}
{"Compound":"Iq","CAS":"76180-96-6","CAS.Checksum":true,"DTXSID":"DTXSID4020745","Formula":"C11H10N4","All.Compound.Names":"Iq|2-amino-3-methyl-3h-imidazo[4,5-f]quinoline|Dtxsid4020745|76180-96-6","logHenry":-8.932,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.471,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.316,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.464,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.5,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76180-96-6"}
{"Compound":"Diethyl phosphite","CAS":"762-04-9","CAS.Checksum":true,"DTXSID":"DTXSID9041861","Formula":"C4H11O3P","All.Compound.Names":"Diethyl phosphite|Dtxsid9041861|762-04-9","logHenry":-6.583,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1531,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.884,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5004,"logWSol.Reference":"EPA-CCD-OPERA","MP":4.192,"MP.Reference":"EPA-CCD-OPERA","MW":138.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"762-04-9"}
{"Compound":"Tert-butyl formate","CAS":"762-75-4","CAS.Checksum":true,"DTXSID":"DTXSID4024690","Formula":"C5H10O2","All.Compound.Names":"Tert-butyl formate|Dtxsid4024690","logHenry":-3.164,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.23,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.708,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9089,"logWSol.Reference":"EPA-CCD-OPERA","MP":-86.07,"MP.Reference":"EPA-CCD-OPERA","MW":102.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"762-75-4"}
{"Compound":"(-)-alpha,beta-thujone","CAS":"76231-76-0","CAS.Checksum":true,"DTXSID":"DTXSID3040774","Formula":"C10H16O","All.Compound.Names":"(-)-alpha,beta-thujone|Alpha,beta-thujone|Dtxsid3040774","logHenry":-4.042,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.824,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.003,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.048,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.64,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76231-76-0"}
{"Compound":"4-bromo-1-(bromomethyl)-2-fluoro-benzene","CAS":"76283-09-5","CAS.Checksum":true,"DTXSID":"DTXSID1057822","Formula":"C7H5Br2F","All.Compound.Names":"4-bromo-1-(bromomethyl)-2-fluoro-benzene|Dtxsid1057822","logHenry":-4.851,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.944,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.813,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.005,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.084,"MP.Reference":"EPA-CCD-OPERA","MW":267.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76283-09-5"}
{"Compound":"3-methylbut-3-en-1-ol","CAS":"763-32-6","CAS.Checksum":true,"DTXSID":"DTXSID4052506","Formula":"C5H10O","All.Compound.Names":"3-methylbut-3-en-1-ol|Dtxsid4052506|763-32-6","logHenry":-6.693,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9067,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.345,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1585,"logWSol.Reference":"EPA-CCD-OPERA","MP":-88.53,"MP.Reference":"EPA-CCD-OPERA","MW":86.13,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"763-32-6"}
{"Compound":"Ethyl 3-ethoxypropionate","CAS":"763-69-9","CAS.Checksum":true,"DTXSID":"DTXSID0027309","Formula":"C7H14O3","All.Compound.Names":"Ethyl 3-ethoxypropionate|Dtxsid0027309","logHenry":-4.632,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6549,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.472,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4328,"logWSol.Reference":"EPA-CCD-OPERA","MP":-56.17,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"763-69-9"}
{"Compound":"Silica","CAS":"7631-86-9","CAS.Checksum":true,"DTXSID":"DTXSID1029677","Formula":"O2Si","All.Compound.Names":"Silica","MW":60.08,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7631-86-9"}
{"Compound":"Sodium nitrate","CAS":"7631-99-4","CAS.Checksum":true,"DTXSID":"DTXSID6020937","Formula":"NNaO3","All.Compound.Names":"Sodium nitrate","MW":84.99,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7631-99-4"}
{"Compound":"Sodium nitrite","CAS":"7632-00-0","CAS.Checksum":true,"DTXSID":"DTXSID0020941","Formula":"NNaO2","All.Compound.Names":"Sodium nitrite","MW":69,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7632-00-0"}
{"Compound":"(r)-(+)-cathinone hydrochloride","CAS":"76333-53-4","CAS.Checksum":true,"DTXSID":"DTXSID3048867","Formula":"C9H12ClNO","All.Compound.Names":"(r)-(+)-cathinone hydrochloride|Dtxsid3048867|76333-53-4","logHenry":-7.836,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.106,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.82,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.759,"logWSol.Reference":"EPA-CCD-OPERA","MP":231.3,"MP.Reference":"EPA-CCD-OPERA","MW":185.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76333-53-4"}
{"Compound":"1,4-dichloro-2-butene","CAS":"764-41-0","CAS.Checksum":true,"DTXSID":"DTXSID9027310","Formula":"C4H6Cl2","All.Compound.Names":"1,4-dichloro-2-butene|Dtxsid9027310","logHenry":-2.981,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.053,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.55,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.276,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.53,"MP.Reference":"EPA-CCD-OPERA","MW":125,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"764-41-0"}
{"Compound":"Nonanoyl chloride","CAS":"764-85-2","CAS.Checksum":true,"DTXSID":"DTXSID3042215","Formula":"C9H17ClO","All.Compound.Names":"Nonanoyl chloride|Dtxsid3042215","logHenry":-3.867,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.32,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.469,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.259,"logWSol.Reference":"EPA-CCD-OPERA","MP":-59.8,"MP.Reference":"EPA-CCD-OPERA","MW":176.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"764-85-2"}
{"Compound":"{2-[2-(ethenyloxy)ethoxy]ethoxy}ethene","CAS":"764-99-8","CAS.Checksum":true,"DTXSID":"DTXSID6044985","Formula":"C8H14O3","All.Compound.Names":"{2-[2-(ethenyloxy)ethoxy]ethoxy}ethene|Dtxsid6044985","logHenry":-4.583,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.181,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.125,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1654,"logWSol.Reference":"EPA-CCD-OPERA","MP":-36.49,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"764-99-8"}
{"Compound":"Nandrolone furylpropionate","CAS":"7642-64-0","CAS.Checksum":true,"DTXSID":"DTXSID6057823","Formula":"C25H32O4","All.Compound.Names":"Nandrolone furylpropionate|Dtxsid6057823|7642-64-0","logHenry":-7.261,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.461,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.245,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.066,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.5,"MP.Reference":"EPA-CCD-OPERA","MW":396.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7642-64-0"}
{"Compound":"Tetrachlorostannane","CAS":"7646-78-8","CAS.Checksum":true,"DTXSID":"DTXSID1029679","Formula":"Cl4Sn","All.Compound.Names":"Tetrachlorostannane","MW":260.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7646-78-8"}
{"Compound":"Zinc chloride","CAS":"7646-85-7","CAS.Checksum":true,"DTXSID":"DTXSID2035013","Formula":"Cl2Zn","All.Compound.Names":"Zinc chloride","MW":136.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7646-85-7"}
{"Compound":"Palladium(ii) chloride","CAS":"7647-10-1","CAS.Checksum":true,"DTXSID":"DTXSID4025824","Formula":"Cl2Pd","All.Compound.Names":"Palladium(ii) chloride","MW":177.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7647-10-1"}
{"Compound":"Sodium bromide","CAS":"7647-15-6","CAS.Checksum":true,"DTXSID":"DTXSID3034903","Formula":"BrNa","All.Compound.Names":"Sodium bromide","MW":102.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7647-15-6"}
{"Compound":"Tridecane,1-bromo-","CAS":"765-09-3","CAS.Checksum":true,"DTXSID":"DTXSID6049355","Formula":"C13H27Br","All.Compound.Names":"Tridecane,1-bromo-|1-bromotridecane|Dtxsid6049355","logHenry":-2.917,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.795,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6409,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.817,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.926,"MP.Reference":"EPA-CCD-OPERA","MW":263.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"765-09-3"}
{"Compound":"3,6,9,12-tetraoxatetradeca-1,13-diene","CAS":"765-12-8","CAS.Checksum":true,"DTXSID":"DTXSID1044986","Formula":"C10H18O4","All.Compound.Names":"3,6,9,12-tetraoxatetradeca-1,13-diene|Dtxsid1044986","logHenry":-5.525,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.059,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.667,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9251,"logWSol.Reference":"EPA-CCD-OPERA","MP":-31.86,"MP.Reference":"EPA-CCD-OPERA","MW":202.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"765-12-8"}
{"Compound":"Lauryl thiocyanate","CAS":"765-15-1","CAS.Checksum":true,"DTXSID":"DTXSID5042089","Formula":"C13H25NS","All.Compound.Names":"Lauryl thiocyanate|Dtxsid5042089","logHenry":-5.183,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.352,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.061,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.33,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.3,"MP.Reference":"EPA-CCD-OPERA","MW":227.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"765-15-1"}
{"Compound":"3-methyl-1,2-cyclopentanedione","CAS":"765-70-8","CAS.Checksum":true,"DTXSID":"DTXSID3047716","Formula":"C6H8O2","All.Compound.Names":"3-methyl-1,2-cyclopentanedione|Dtxsid3047716","logHenry":-6.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.01976,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.926,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.09187,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.9,"MP.Reference":"EPA-CCD-OPERA","MW":112.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"765-70-8"}
{"Compound":"Benmoxin","CAS":"7654-03-7","CAS.Checksum":true,"DTXSID":"DTXSID0046220","Formula":"C15H16N2O","All.Compound.Names":"Benmoxin|Dtxsid0046220|7654-03-7","logHenry":-9.745,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.025,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.329,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.529,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.59,"MP.Reference":"EPA-CCD-OPERA","MW":240.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7654-03-7"}
{"Compound":"Mifobate","CAS":"76541-72-5","CAS.Checksum":true,"DTXSID":"DTXSID6045741","Formula":"C11H17ClO7P2","All.Compound.Names":"Mifobate|Dtxsid6045741","logHenry":-6.423,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.69,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.968,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.843,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.6,"MP.Reference":"EPA-CCD-OPERA","MW":358.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76541-72-5"}
{"Compound":"Flosequinan","CAS":"76568-02-0","CAS.Checksum":true,"DTXSID":"DTXSID1048833","Formula":"C11H10FNO2S","All.Compound.Names":"Flosequinan|Dtxsid1048833|76568-02-0","logHenry":-8.968,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.921,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.594,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.652,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.08,"MP.Reference":"EPA-CCD-OPERA","MW":239.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76568-02-0"}
{"Compound":"2-ethylhexyl sulfanylacetate","CAS":"7659-86-1","CAS.Checksum":true,"DTXSID":"DTXSID4027656","Formula":"C10H20O2S","All.Compound.Names":"2-ethylhexyl sulfanylacetate|2-ethylhexyl thioglycolate|Dtxsid4027656|7659-86-1","logHenry":-5.786,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.574,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.244,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.371,"logWSol.Reference":"EPA-CCD-OPERA","MP":-84.55,"MP.Reference":"EPA-CCD-OPERA","MW":204.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7659-86-1"}
{"Compound":"1-butyl-2,3-dimethylimidazolium trifluoromethanesulfonate","CAS":"765910-73-4","CAS.Checksum":true,"DTXSID":"DTXSID1049356","Formula":"C10H17F3N2O3S","All.Compound.Names":"1-butyl-2,3-dimethylimidazolium trifluoromethanesulfonate|Dtxsid1049356|765910-73-4","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7493,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.035,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.848,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.9,"MP.Reference":"EPA-CCD-OPERA","MW":302.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"765910-73-4"}
{"Compound":"Phosphoric acid","CAS":"7664-38-2","CAS.Checksum":true,"DTXSID":"DTXSID5024263","Formula":"H3O4P","All.Compound.Names":"Phosphoric acid","MW":97.99,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7664-38-2"}
{"Compound":"Sulfuric acid","CAS":"7664-93-9","CAS.Checksum":true,"DTXSID":"DTXSID5029683","Formula":"H2O4S","All.Compound.Names":"Sulfuric acid","MW":98.07,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7664-93-9"}
{"Compound":"Tert-butyl glycidyl ether","CAS":"7665-72-7","CAS.Checksum":true,"DTXSID":"DTXSID4024692","Formula":"C7H14O2","All.Compound.Names":"Tert-butyl glycidyl ether|Dtxsid4024692","logHenry":-4.129,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.387,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.076,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1839,"logWSol.Reference":"EPA-CCD-OPERA","MP":-70,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7665-72-7"}
{"Compound":"Flutriafol","CAS":"76674-21-0","CAS.Checksum":true,"DTXSID":"DTXSID8040727","Formula":"C16H13F2N3O","All.Compound.Names":"Flutriafol|Dtxsid8040727|76674-21-0","logHenry":-8.29,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.291,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.121,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.404,"logWSol.Reference":"EPA-CCD-OPERA","MP":130,"MP.Reference":"EPA-CCD-OPERA","MW":301.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76674-21-0"}
{"Compound":"4-hydroxybenzonitrile","CAS":"767-00-0","CAS.Checksum":true,"DTXSID":"DTXSID9052509","Formula":"C7H5NO","All.Compound.Names":"4-hydroxybenzonitrile|Dtxsid9052509|767-00-0","logHenry":-6.955,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.605,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.851,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9592,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.8,"MP.Reference":"EPA-CCD-OPERA","MW":119.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"767-00-0"}
{"Compound":"Gamma-cyhalothrin","CAS":"76703-62-3","CAS.Checksum":true,"DTXSID":"DTXSID1034501","Formula":"C23H19ClF3NO3","All.Compound.Names":"Gamma-cyhalothrin|Dtxsid1034501","logHenry":-7.949,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.799,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.892,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.657,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.36,"MP.Reference":"EPA-CCD-OPERA","MW":449.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76703-62-3"}
{"Compound":"Resocortol butyrate","CAS":"76738-96-0","CAS.Checksum":true,"DTXSID":"DTXSID6057825","Formula":"C26H38O5","All.Compound.Names":"Resocortol butyrate|Dtxsid6057825|76738-96-0","logHenry":-9.221,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.061,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.234,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.912,"logWSol.Reference":"EPA-CCD-OPERA","MP":236.9,"MP.Reference":"EPA-CCD-OPERA","MW":430.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76738-96-0"}
{"Compound":"N-isopropylaniline","CAS":"768-52-5","CAS.Checksum":true,"DTXSID":"DTXSID7025479","Formula":"C9H13N","All.Compound.Names":"N-isopropylaniline|Dtxsid7025479|768-52-5","logHenry":-5.239,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.726,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.984,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.014,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.17,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"768-52-5"}
{"Compound":"Potassium iodide","CAS":"7681-11-0","CAS.Checksum":true,"DTXSID":"DTXSID7034836","Formula":"IK","All.Compound.Names":"Potassium iodide","MW":166,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7681-11-0"}
{"Compound":"Prednisolone tebutate","CAS":"7681-14-3","CAS.Checksum":true,"DTXSID":"DTXSID8023505","Formula":"C27H38O6","All.Compound.Names":"Prednisolone tebutate|Dtxsid8023505|7681-14-3","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.489,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.096,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.028,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.3,"MP.Reference":"EPA-CCD-OPERA","MW":458.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7681-14-3"}
{"Compound":"Sodium hydrogen sulfate","CAS":"7681-38-1","CAS.Checksum":true,"DTXSID":"DTXSID3033983","Formula":"HNaO4S","All.Compound.Names":"Sodium hydrogen sulfate","MW":120,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7681-38-1"}
{"Compound":"Sodium hypochlorite","CAS":"7681-52-9","CAS.Checksum":true,"DTXSID":"DTXSID8021276","Formula":"ClNaO","All.Compound.Names":"Sodium hypochlorite","MW":74.44,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7681-52-9"}
{"Compound":"Copper(i) iodide","CAS":"7681-65-4","CAS.Checksum":true,"DTXSID":"DTXSID5041803","Formula":"CuI","All.Compound.Names":"Copper(i) iodide","MW":190.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7681-65-4"}
{"Compound":"Propionylpromazine hydrochloride","CAS":"7681-67-6","CAS.Checksum":true,"DTXSID":"DTXSID4045187","Formula":"C20H25ClN2OS","All.Compound.Names":"Propionylpromazine hydrochloride|Dtxsid4045187|7681-67-6","logHenry":-7.501,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.934,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.77,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.274,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.8,"MP.Reference":"EPA-CCD-OPERA","MW":376.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7681-67-6"}
{"Compound":"Ronidazole","CAS":"7681-76-7","CAS.Checksum":true,"DTXSID":"DTXSID6045400","Formula":"C6H8N4O4","All.Compound.Names":"Ronidazole|Dtxsid6045400|7681-76-7","logHenry":-8.564,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.38,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.552,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.843,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.1,"MP.Reference":"EPA-CCD-OPERA","MW":200.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.12","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7681-76-7"}
{"Compound":"Sodium iodide","CAS":"7681-82-5","CAS.Checksum":true,"DTXSID":"DTXSID2041125","Formula":"INa","All.Compound.Names":"Sodium iodide","MW":149.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7681-82-5"}
{"Compound":"Natamycin","CAS":"7681-93-8","CAS.Checksum":true,"DTXSID":"DTXSID6021163","Formula":"C33H47NO13","All.Compound.Names":"Natamycin|Dtxsid6021163|7681-93-8","logHenry":-10.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.122,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.447,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.544,"logWSol.Reference":"EPA-CCD-OPERA","MP":236.1,"MP.Reference":"EPA-CCD-OPERA","MW":665.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.73","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7681-93-8"}
{"Compound":"Dazmegrel","CAS":"76894-77-4","CAS.Checksum":true,"DTXSID":"DTXSID9046281","Formula":"C16H17N3O2","All.Compound.Names":"Dazmegrel|Dtxsid9046281|76894-77-4","logHenry":-9.367,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.457,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.254,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.028,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.8,"MP.Reference":"EPA-CCD-OPERA","MW":283.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.94","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76894-77-4"}
{"Compound":"Pyrithyldione","CAS":"77-04-3","CAS.Checksum":true,"DTXSID":"DTXSID4045262","Formula":"C9H13NO2","All.Compound.Names":"Pyrithyldione|Dtxsid4045262|77-04-3","logHenry":-6.287,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.112,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.751,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.61,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.57,"MP.Reference":"EPA-CCD-OPERA","MW":167.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-04-3"}
{"Compound":"Dicyclomine","CAS":"77-19-0","CAS.Checksum":true,"DTXSID":"DTXSID1022926","Formula":"C19H35NO2","All.Compound.Names":"Dicyclomine|Dtxsid1022926|77-19-0","logHenry":-6.936,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.507,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.143,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.395,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.9,"MP.Reference":"EPA-CCD-OPERA","MW":309.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-19-0"}
{"Compound":"Glutethimide","CAS":"77-21-4","CAS.Checksum":true,"DTXSID":"DTXSID1023102","Formula":"C13H15NO2","All.Compound.Names":"Glutethimide|Dtxsid1023102|77-21-4","logHenry":-8.53,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.902,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.436,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.338,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.16,"MP.Reference":"EPA-CCD-OPERA","MW":217.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-21-4"}
{"Compound":"Carbetapentane","CAS":"77-23-6","CAS.Checksum":true,"DTXSID":"DTXSID9022734","Formula":"C20H31NO3","All.Compound.Names":"Carbetapentane|Dtxsid9022734|77-23-6","logHenry":-6.218,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.114,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.635,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.018,"logWSol.Reference":"EPA-CCD-OPERA","MP":107.6,"MP.Reference":"EPA-CCD-OPERA","MW":333.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-23-6"}
{"Compound":"Methsuximide","CAS":"77-41-8","CAS.Checksum":true,"DTXSID":"DTXSID5023293","Formula":"C12H13NO2","All.Compound.Names":"Methsuximide|Dtxsid5023293|77-41-8","logHenry":-5.423,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.075,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.308,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.226,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.54,"MP.Reference":"EPA-CCD-OPERA","MW":203.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-41-8"}
{"Compound":"1,3-dibromo-5,5-dimethylhydantoin","CAS":"77-48-5","CAS.Checksum":true,"DTXSID":"DTXSID3035341","Formula":"C5H6Br2N2O2","All.Compound.Names":"1,3-dibromo-5,5-dimethylhydantoin|Dtxsid3035341|77-48-5","logHenry":-4.505,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.942,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.631,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.988,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.1,"MP.Reference":"EPA-CCD-OPERA","MW":285.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-48-5"}
{"Compound":"2-methyl-2-nitro-1,3-propanediol","CAS":"77-49-6","CAS.Checksum":true,"DTXSID":"DTXSID5041437","Formula":"C4H9NO4","All.Compound.Names":"2-methyl-2-nitro-1,3-propanediol|Dtxsid5041437|77-49-6","logHenry":-7.163,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.914,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.095,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7718,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.9,"MP.Reference":"EPA-CCD-OPERA","MW":135.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-49-6"}
{"Compound":"Isoaminile","CAS":"77-51-0","CAS.Checksum":true,"DTXSID":"DTXSID5057830","Formula":"C16H24N2","All.Compound.Names":"Isoaminile|Dtxsid5057830|77-51-0","logHenry":-4.741,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.002,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.379,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.765,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.681,"MP.Reference":"EPA-CCD-OPERA","MW":244.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-51-0"}
{"Compound":"Dibutyltin dilaurate","CAS":"77-58-7","CAS.Checksum":true,"DTXSID":"DTXSID6024961","Formula":"C32H64O4Sn","All.Compound.Names":"Dibutyltin dilaurate","MW":631.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-58-7"}
{"Compound":"Carbromal","CAS":"77-65-6","CAS.Checksum":true,"DTXSID":"DTXSID8020252","Formula":"C7H13BrN2O2","All.Compound.Names":"Carbromal|Dtxsid8020252|77-65-6","logHenry":-9.212,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.538,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.831,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.734,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.1,"MP.Reference":"EPA-CCD-OPERA","MW":237.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-65-6"}
{"Compound":"Ethosuximide","CAS":"77-67-8","CAS.Checksum":true,"DTXSID":"DTXSID7023019","Formula":"C7H11NO2","All.Compound.Names":"Ethosuximide|77-67-8|Dtxsid7023019","logHenry":-6.825,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.379,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.972,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.251,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.15,"MP.Reference":"EPA-CCD-OPERA","MW":141.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Mouse|Rat|Dog|Monkey","Dog.Foral":0.91,"Dog.Foral.Reference":"Musther 2014","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.93,"Human.Foral.Reference":"Kim 2014","Monkey.Foral":0.9303,"Monkey.Foral.Reference":"Musther 2014","Mouse.Foral":0.74,"Mouse.Foral.Reference":"Musther 2014","Rat.Foral":0.83,"Rat.Foral.Reference":"Musther 2014","Chemical.Class":"","_row":"77-67-8"}
{"Compound":"5,5-dimethylhydantoin","CAS":"77-71-4","CAS.Checksum":true,"DTXSID":"DTXSID5021754","Formula":"C5H8N2O2","All.Compound.Names":"5,5-dimethylhydantoin|Dtxsid5021754|77-71-4","logHenry":-7.478,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4792,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.407,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5579,"logWSol.Reference":"EPA-CCD-OPERA","MP":178,"MP.Reference":"EPA-CCD-OPERA","MW":128.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-71-4"}
{"Compound":"Dicyclopentadiene","CAS":"77-73-6","CAS.Checksum":true,"DTXSID":"DTXSID5025023","Formula":"C10H12","All.Compound.Names":"Dicyclopentadiene|Dtxsid5025023","logHenry":-2.639,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.708,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7281,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.701,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.62,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-73-6"}
{"Compound":"3-methyl-1-pentyn-3-ol","CAS":"77-75-8","CAS.Checksum":true,"DTXSID":"DTXSID5021756","Formula":"C6H10O","All.Compound.Names":"3-methyl-1-pentyn-3-ol|Dtxsid5021756|77-75-8","logHenry":-4.973,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7967,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.263,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.06201,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.23,"MP.Reference":"EPA-CCD-OPERA","MW":98.14,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-75-8"}
{"Compound":"2,2-dimethoxypropane","CAS":"77-76-9","CAS.Checksum":true,"DTXSID":"DTXSID7026441","Formula":"C5H12O2","All.Compound.Names":"2,2-dimethoxypropane|Dtxsid7026441","logHenry":-4.128,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7511,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7554,"logWSol.Reference":"EPA-CCD-OPERA","MP":-47.44,"MP.Reference":"EPA-CCD-OPERA","MW":104.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-76-9"}
{"Compound":"Dimethyl sulfate","CAS":"77-78-1","CAS.Checksum":true,"DTXSID":"DTXSID5024055","Formula":"C2H6O4S","All.Compound.Names":"Dimethyl sulfate|Dtxsid5024055","logHenry":-7.163,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7115,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.039,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.04963,"logWSol.Reference":"EPA-CCD-OPERA","MP":-26.92,"MP.Reference":"EPA-CCD-OPERA","MW":126.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-78-1"}
{"Compound":"3-sulfolene","CAS":"77-79-2","CAS.Checksum":true,"DTXSID":"DTXSID6021294","Formula":"C4H6O2S","All.Compound.Names":"3-sulfolene|2,5-dihydrothiophene 1,1-dioxide|Dtxsid6021294","logHenry":-7.205,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4295,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.312,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.826,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.38,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-79-2"}
{"Compound":"Ethyl methylphenylglycidate","CAS":"77-83-8","CAS.Checksum":true,"DTXSID":"DTXSID8020591","Formula":"C12H14O3","All.Compound.Names":"Ethyl methylphenylglycidate|Dtxsid8020591","logHenry":-6.752,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.526,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.828,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.904,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.17,"MP.Reference":"EPA-CCD-OPERA","MW":206.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-83-8"}
{"Compound":"2-(hydroxymethyl)-2-methyl-1,3-propanediol","CAS":"77-85-0","CAS.Checksum":true,"DTXSID":"DTXSID2026444","Formula":"C5H12O3","All.Compound.Names":"2-(hydroxymethyl)-2-methyl-1,3-propanediol|Dtxsid2026444|77-85-0","logHenry":-7.862,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9908,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.76,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3314,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.8,"MP.Reference":"EPA-CCD-OPERA","MW":120.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-85-0"}
{"Compound":"Tromethamine","CAS":"77-86-1","CAS.Checksum":true,"DTXSID":"DTXSID2023723","Formula":"C4H11NO3","All.Compound.Names":"Tromethamine|Dtxsid2023723|77-86-1","logHenry":-8.012,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.137,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.313,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6563,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.8,"MP.Reference":"EPA-CCD-OPERA","MW":121.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-86-1"}
{"Compound":"Acetyltriethyl citrate","CAS":"77-89-4","CAS.Checksum":true,"DTXSID":"DTXSID5044576","Formula":"C14H22O8","All.Compound.Names":"Acetyltriethyl citrate|Citric acid, triethyl ester, acetate|Dtxsid5044576","logHenry":-8.697,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.638,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.243,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.114,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.41,"MP.Reference":"EPA-CCD-OPERA","MW":318.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-89-4"}
{"Compound":"Citric acid","CAS":"77-92-9","CAS.Checksum":true,"DTXSID":"DTXSID3020332","Formula":"C6H8O7","All.Compound.Names":"Citric acid|Dtxsid3020332|77-92-9","logHenry":-9.811,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.64,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.552,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6905,"logWSol.Reference":"EPA-CCD-OPERA","MP":153,"MP.Reference":"EPA-CCD-OPERA","MW":192.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-92-9"}
{"Compound":"Triethyl citrate","CAS":"77-93-0","CAS.Checksum":true,"DTXSID":"DTXSID0040701","Formula":"C12H20O7","All.Compound.Names":"Triethyl citrate|Dtxsid0040701|77-93-0","logHenry":-8.614,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5216,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.545,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6171,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.96,"MP.Reference":"EPA-CCD-OPERA","MW":276.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-93-0"}
{"Compound":"2-ethyl-2-(hydroxymethyl)-1,3-propanediol","CAS":"77-99-6","CAS.Checksum":true,"DTXSID":"DTXSID2026448","Formula":"C6H14O3","All.Compound.Names":"2-ethyl-2-(hydroxymethyl)-1,3-propanediol|Dtxsid2026448|77-99-6","logHenry":-7.884,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.478,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.735,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6155,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.1,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-99-6"}
{"Compound":"Octopamine hydrochloride","CAS":"770-05-8","CAS.Checksum":true,"DTXSID":"DTXSID8033803","Formula":"C8H12ClNO2","All.Compound.Names":"Octopamine hydrochloride|2-amino-1-(4-hydroxyphenyl)ethanol hydrochloride|Dtxsid8033803|770-05-8","logHenry":-8.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.392,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.284,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9897,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.4,"MP.Reference":"EPA-CCD-OPERA","MW":189.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"770-05-8"}
{"Compound":"1-phenoxy-2-propanol","CAS":"770-35-4","CAS.Checksum":true,"DTXSID":"DTXSID9027312","Formula":"C9H12O2","All.Compound.Names":"1-phenoxy-2-propanol|Dtxsid9027312|770-35-4","logHenry":-6.549,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.61,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.874,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.139,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.67,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"770-35-4"}
{"Compound":"Ferric chloride","CAS":"7705-08-0","CAS.Checksum":true,"DTXSID":"DTXSID8020622","Formula":"Cl3Fe","All.Compound.Names":"Ferric chloride","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7705-08-0"}
{"Compound":"Dimecrotic acid","CAS":"7706-67-4","CAS.Checksum":true,"DTXSID":"DTXSID1057826","Formula":"C12H14O4","All.Compound.Names":"Dimecrotic acid|Dtxsid1057826|7706-67-4","logHenry":-7.967,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.31,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.729,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.397,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.8,"MP.Reference":"EPA-CCD-OPERA","MW":222.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7706-67-4"}
{"Compound":"Dizocilpine maleate","CAS":"77086-22-7","CAS.Checksum":true,"DTXSID":"DTXSID2045785","Formula":"C20H19NO4","All.Compound.Names":"Dizocilpine maleate|Dtxsid2045785|77086-22-7","logHenry":-7.151,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.673,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.137,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.89,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.4,"MP.Reference":"EPA-CCD-OPERA","MW":337.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77086-22-7"}
{"Compound":"Sr 57227a hydrochloride","CAS":"77145-61-0","CAS.Checksum":true,"DTXSID":"DTXSID5045201","Formula":"C10H15Cl2N3","All.Compound.Names":"Sr 57227a hydrochloride|Dtxsid5045201|77145-61-0","logHenry":-6.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5409,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.951,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.58,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.7,"MP.Reference":"EPA-CCD-OPERA","MW":248.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77145-61-0"}
{"Compound":"Nickel(ii) chloride","CAS":"7718-54-9","CAS.Checksum":true,"DTXSID":"DTXSID7040316","Formula":"Cl2Ni","All.Compound.Names":"Nickel(ii) chloride|Nickel chloride","MW":129.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7718-54-9"}
{"Compound":"Bravavir","CAS":"77181-69-2","CAS.Checksum":true,"DTXSID":"DTXSID6057827","Formula":"C11H13BrN2O6","All.Compound.Names":"Bravavir|Dtxsid6057827|77181-69-2","logHenry":-10.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8198,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.23,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.227,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.6,"MP.Reference":"EPA-CCD-OPERA","MW":349.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77181-69-2"}
{"Compound":"Nefiracetam","CAS":"77191-36-7","CAS.Checksum":true,"DTXSID":"DTXSID2020923","Formula":"C14H18N2O2","All.Compound.Names":"Nefiracetam|Dtxsid2020923|77191-36-7","logHenry":-9.017,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.418,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.724,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.869,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.6,"MP.Reference":"EPA-CCD-OPERA","MW":246.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77191-36-7"}
{"Compound":"Iron(ii) sulfate","CAS":"7720-78-7","CAS.Checksum":true,"DTXSID":"DTXSID0029688","Formula":"FeO4S","All.Compound.Names":"Iron(ii) sulfate","MW":151.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7720-78-7"}
{"Compound":"Colistin a","CAS":"7722-44-3","CAS.Checksum":true,"DTXSID":"DTXSID5049079","Formula":"C53H100N16O13","All.Compound.Names":"Colistin a|Dtxsid5049079|7722-44-3","logHenry":-10.57,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7164,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.927,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.394,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.7,"MP.Reference":"EPA-CCD-OPERA","MW":1169,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7722-44-3"}
{"Compound":"Tetrasodium pyrophosphate","CAS":"7722-88-5","CAS.Checksum":true,"DTXSID":"DTXSID9042465","Formula":"Na4O7P2","All.Compound.Names":"Tetrasodium pyrophosphate","MW":265.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7722-88-5"}
{"Compound":"Riboprine","CAS":"7724-76-7","CAS.Checksum":true,"DTXSID":"DTXSID1057828","Formula":"C15H21N5O4","All.Compound.Names":"Riboprine|Dtxsid1057828|7724-76-7","logHenry":-9.888,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.3,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.12,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.317,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.1,"MP.Reference":"EPA-CCD-OPERA","MW":335.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7724-76-7"}
{"Compound":"Stilonium iodide","CAS":"77257-42-2","CAS.Checksum":true,"DTXSID":"DTXSID2045781","Formula":"C22H30INO","All.Compound.Names":"Stilonium iodide|Dtxsid2045781|77257-42-2","logHenry":-6.171,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.278,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.47,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.742,"logWSol.Reference":"EPA-CCD-OPERA","MP":170,"MP.Reference":"EPA-CCD-OPERA","MW":451.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77257-42-2"}
{"Compound":"Potassium persulfate","CAS":"7727-21-1","CAS.Checksum":true,"DTXSID":"DTXSID4029690","Formula":"K2O8S2","All.Compound.Names":"Potassium persulfate","MW":270.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7727-21-1"}
{"Compound":"Diammonium peroxydisulfate","CAS":"7727-54-0","CAS.Checksum":true,"DTXSID":"DTXSID9029691","Formula":"H8N2O8S2","All.Compound.Names":"Diammonium peroxydisulfate","MW":228.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7727-54-0"}
{"Compound":"Chloroxine","CAS":"773-76-2","CAS.Checksum":true,"DTXSID":"DTXSID5022801","Formula":"C9H5Cl2NO","All.Compound.Names":"Chloroxine|773-76-2|Dtxsid5022801","logHenry":-7.234,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.5,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.726,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.856,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.4,"MP.Reference":"EPA-CCD-OPERA","MW":214,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.99","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.798","Human.Clint.Reference":"Dawson 2021","Human.Foral":0.89,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"773-76-2"}
{"Compound":"Acamprosate calcium","CAS":"77337-73-6","CAS.Checksum":true,"DTXSID":"DTXSID6047529","Formula":"C10H20CaN2O8S2","All.Compound.Names":"Acamprosate calcium|1-propanesulfonic acid, 3-(acetylamino)-, calcium salt (2:1)|Dtxsid6047529|77337-73-6","logHenry":-9.316,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.736,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.67,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1047,"logWSol.Reference":"EPA-CCD-OPERA","MP":237.8,"MP.Reference":"EPA-CCD-OPERA","MW":400.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77337-73-6"}
{"Compound":"Ethyl mandelate","CAS":"774-40-3","CAS.Checksum":true,"DTXSID":"DTXSID6057829","Formula":"C10H12O3","All.Compound.Names":"Ethyl mandelate|Dtxsid6057829|774-40-3","logHenry":-8.183,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.531,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.99,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.553,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.13,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"774-40-3"}
{"Compound":"6-acetyl-1,2,3,4-tetrahydronaphthalene","CAS":"774-55-0","CAS.Checksum":true,"DTXSID":"DTXSID0047163","Formula":"C12H14O","All.Compound.Names":"6-acetyl-1,2,3,4-tetrahydronaphthalene|Dtxsid0047163","logHenry":-4.396,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.727,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.102,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.218,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.67,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"774-55-0"}
{"Compound":"3-chloro-4-(dichloromethyl)-5-hydroxy-2(5h)-furanone","CAS":"77439-76-0","CAS.Checksum":true,"DTXSID":"DTXSID6020276","Formula":"C5H3Cl3O3","All.Compound.Names":"3-chloro-4-(dichloromethyl)-5-hydroxy-2(5h)-furanone|Dtxsid6020276|77439-76-0","logHenry":-7.958,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.128,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.46,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.337,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.1,"MP.Reference":"EPA-CCD-OPERA","MW":217.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77439-76-0"}
{"Compound":"Pimobendan hydrochloride","CAS":"77469-98-8","CAS.Checksum":true,"DTXSID":"DTXSID0046804","Formula":"C19H19ClN4O2","All.Compound.Names":"Pimobendan hydrochloride|Dtxsid0046804|77469-98-8","logHenry":-9.139,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6673,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.719,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.613,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.9,"MP.Reference":"EPA-CCD-OPERA","MW":370.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77469-98-8"}
{"Compound":"5-ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane","CAS":"7747-35-5","CAS.Checksum":true,"DTXSID":"DTXSID3029289","Formula":"C7H13NO2","All.Compound.Names":"5-ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane|7a-ethyldihydro-1h,3h,5h-oxazolo(3,4-c)oxazole|Dtxsid3029289|7747-35-5","logHenry":-4.945,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1938,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.261,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3023,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.066,"MP.Reference":"EPA-CCD-OPERA","MW":143.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.76","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7747-35-5"}
{"Compound":"Fluoroglycofen-ethyl","CAS":"77501-90-7","CAS.Checksum":true,"DTXSID":"DTXSID0041983","Formula":"C18H13ClF3NO7","All.Compound.Names":"Fluoroglycofen-ethyl|Dtxsid0041983|77501-90-7","logHenry":-8.346,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.653,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.67,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.873,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.92,"MP.Reference":"EPA-CCD-OPERA","MW":447.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77501-90-7"}
{"Compound":"Anecortave acetate","CAS":"7753-60-8","CAS.Checksum":true,"DTXSID":"DTXSID5046805","Formula":"C23H30O5","All.Compound.Names":"Anecortave acetate|Dtxsid5046805|7753-60-8","logHenry":-9.932,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.577,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.824,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.584,"logWSol.Reference":"EPA-CCD-OPERA","MP":239.1,"MP.Reference":"EPA-CCD-OPERA","MW":386.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7753-60-8"}
{"Compound":"Ataluren","CAS":"775304-57-9","CAS.Checksum":true,"DTXSID":"DTXSID5046776","Formula":"C15H9FN2O3","All.Compound.Names":"Ataluren|Dtxsid5046776|775304-57-9","logHenry":-9.493,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.931,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.015,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.8,"MP.Reference":"EPA-CCD-OPERA","MW":284.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.14","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"775304-57-9"}
{"Compound":"Butyl anthranilate","CAS":"7756-96-9","CAS.Checksum":true,"DTXSID":"DTXSID5024683","Formula":"C11H15NO2","All.Compound.Names":"Butyl anthranilate|Dtxsid5024683|7756-96-9","logHenry":-8.817,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.762,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.478,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.147,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.69,"MP.Reference":"EPA-CCD-OPERA","MW":193.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7756-96-9"}
{"Compound":"Potassium nitrate","CAS":"7757-79-1","CAS.Checksum":true,"DTXSID":"DTXSID4029692","Formula":"KNO3","All.Compound.Names":"Potassium nitrate","MW":101.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7757-79-1"}
{"Compound":"Sodium sulfate anyhdrous","CAS":"7757-82-6","CAS.Checksum":true,"DTXSID":"DTXSID1021291","Formula":"Na2O4S","All.Compound.Names":"Sodium sulfate anyhdrous|Sodium sulfate anhydrous","MW":142,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7757-82-6"}
{"Compound":"Potassium nitrite","CAS":"7758-09-0","CAS.Checksum":true,"DTXSID":"DTXSID5042320","Formula":"KNO2","All.Compound.Names":"Potassium nitrite","MW":85.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7758-09-0"}
{"Compound":"Iron(ii) chloride","CAS":"7758-94-3","CAS.Checksum":true,"DTXSID":"DTXSID9029695","Formula":"Cl2Fe","All.Compound.Names":"Iron(ii) chloride|Ferrous chloride","MW":126.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7758-94-3"}
{"Compound":"Methodichlorophen","CAS":"7761-45-7","CAS.Checksum":true,"DTXSID":"DTXSID0057831","Formula":"C11H10Cl2N4","All.Compound.Names":"Methodichlorophen|Dtxsid0057831|7761-45-7","logHenry":-9.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.821,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.457,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.628,"logWSol.Reference":"EPA-CCD-OPERA","MP":239.9,"MP.Reference":"EPA-CCD-OPERA","MW":269.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7761-45-7"}
{"Compound":"Haloprogin","CAS":"777-11-7","CAS.Checksum":true,"DTXSID":"DTXSID9046865","Formula":"C9H4Cl3IO","All.Compound.Names":"Haloprogin|Dtxsid9046865","logHenry":-3.922,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.392,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.17,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.035,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.4,"MP.Reference":"EPA-CCD-OPERA","MW":361.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"777-11-7"}
{"Compound":"Tin(ii) chloride","CAS":"7772-99-8","CAS.Checksum":true,"DTXSID":"DTXSID8021351","Formula":"Cl2Sn","All.Compound.Names":"Tin(ii) chloride|Stannous chloride","MW":189.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7772-99-8"}
{"Compound":"Ammonium sulfamate","CAS":"7773-06-0","CAS.Checksum":true,"DTXSID":"DTXSID5023875","Formula":"H6N2O3S","All.Compound.Names":"Ammonium sulfamate","MW":114.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7773-06-0"}
{"Compound":"Oxadixyl","CAS":"77732-09-3","CAS.Checksum":true,"DTXSID":"DTXSID2032631","Formula":"C14H18N2O4","All.Compound.Names":"Oxadixyl|Dtxsid2032631|77732-09-3","logHenry":-8.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8006,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.411,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.911,"logWSol.Reference":"EPA-CCD-OPERA","MP":104,"MP.Reference":"EPA-CCD-OPERA","MW":278.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77732-09-3"}
{"Compound":"Mercury(ii) iodide","CAS":"7774-29-0","CAS.Checksum":true,"DTXSID":"DTXSID9042124","Formula":"HgI2","All.Compound.Names":"Mercury(ii) iodide|Mercuric iodide","MW":454.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7774-29-0"}
{"Compound":"Sodium chlorate","CAS":"7775-09-9","CAS.Checksum":true,"DTXSID":"DTXSID7026025","Formula":"ClNaO3","All.Compound.Names":"Sodium chlorate","MW":106.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7775-09-9"}
{"Compound":"Sodium persulfate","CAS":"7775-27-1","CAS.Checksum":true,"DTXSID":"DTXSID4029698","Formula":"Na2O8S2","All.Compound.Names":"Sodium persulfate","MW":238.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7775-27-1"}
{"Compound":"3-bromo-4-fluorobenzaldehyde","CAS":"77771-02-9","CAS.Checksum":true,"DTXSID":"DTXSID6044989","Formula":"C7H4BrFO","All.Compound.Names":"3-bromo-4-fluorobenzaldehyde|Dtxsid6044989","logHenry":-6.266,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.583,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.426,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.457,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.527,"MP.Reference":"EPA-CCD-OPERA","MW":203,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77771-02-9"}
{"Compound":"Potassium dichromate","CAS":"7778-50-9","CAS.Checksum":true,"DTXSID":"DTXSID5025948","Formula":"Cr2K2O7","All.Compound.Names":"Potassium dichromate","MW":294.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7778-50-9"}
{"Compound":"Potassium perchlorate","CAS":"7778-74-7","CAS.Checksum":true,"DTXSID":"DTXSID3047003","Formula":"ClKO4","All.Compound.Names":"Potassium perchlorate","MW":138.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7778-74-7"}
{"Compound":"1,3,5-triethylhexahydro-s-triazine","CAS":"7779-27-3","CAS.Checksum":true,"DTXSID":"DTXSID1032511","Formula":"C9H21N3","All.Compound.Names":"1,3,5-triethylhexahydro-s-triazine|Dtxsid1032511|7779-27-3","logHenry":-5.933,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.059,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.002,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.09868,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.87,"MP.Reference":"EPA-CCD-OPERA","MW":171.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7779-27-3"}
{"Compound":"1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-penten-3-one","CAS":"7779-30-8","CAS.Checksum":true,"DTXSID":"DTXSID6026240","Formula":"C14H22O","All.Compound.Names":"1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-penten-3-one|Dtxsid6026240","logHenry":-4.316,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.352,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.553,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.021,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.27,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7779-30-8"}
{"Compound":"3,3,5-trimethylcyclohexyl 2-methylprop-2-enoate","CAS":"7779-31-9","CAS.Checksum":true,"DTXSID":"DTXSID5044990","Formula":"C13H22O2","All.Compound.Names":"3,3,5-trimethylcyclohexyl 2-methylprop-2-enoate|Dtxsid5044990","logHenry":-3.691,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.337,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.451,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.086,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.89,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7779-31-9"}
{"Compound":"3-methylbutyl cinnamate","CAS":"7779-65-9","CAS.Checksum":true,"DTXSID":"DTXSID4025454","Formula":"C14H18O2","All.Compound.Names":"3-methylbutyl cinnamate|Isoamyl cinnamate|Dtxsid4025454","logHenry":-4.598,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.872,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.384,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.676,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.45,"MP.Reference":"EPA-CCD-OPERA","MW":218.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7779-65-9"}
{"Compound":"4-methyl-1-phenyl-2-pentanol","CAS":"7779-78-4","CAS.Checksum":true,"DTXSID":"DTXSID8047717","Formula":"C12H18O","All.Compound.Names":"4-methyl-1-phenyl-2-pentanol|4-methyl-1-phenylpentan-2-ol|Dtxsid8047717|7779-78-4","logHenry":-5.675,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.013,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.387,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.765,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.07,"MP.Reference":"EPA-CCD-OPERA","MW":178.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7779-78-4"}
{"Compound":"2,2-diphenylpropane","CAS":"778-22-3","CAS.Checksum":true,"DTXSID":"DTXSID8047892","Formula":"C15H16","All.Compound.Names":"2,2-diphenylpropane|Dtxsid8047892","logHenry":-3.28,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.205,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.024,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.887,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.94,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"778-22-3"}
{"Compound":"Selenious acid","CAS":"7783-00-8","CAS.Checksum":true,"DTXSID":"DTXSID9024300","Formula":"H2O3Se","All.Compound.Names":"Selenious acid","MW":129,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7783-00-8"}
{"Compound":"Ammonium thiosulfate","CAS":"7783-18-8","CAS.Checksum":true,"DTXSID":"DTXSID6029703","Formula":"H8N2O3S2","All.Compound.Names":"Ammonium thiosulfate","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7783-18-8"}
{"Compound":"(-)-alpha-pinene","CAS":"7785-26-4","CAS.Checksum":true,"DTXSID":"DTXSID2029290","Formula":"C10H16","All.Compound.Names":"(-)-alpha-pinene|Dtxsid2029290","logHenry":-0.8746,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.826,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3811,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.734,"logWSol.Reference":"EPA-CCD-OPERA","MP":-59.62,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7785-26-4"}
{"Compound":"Geranyl tiglate","CAS":"7785-33-3","CAS.Checksum":true,"DTXSID":"DTXSID9047413","Formula":"C15H24O2","All.Compound.Names":"Geranyl tiglate|Dtxsid9047413","logHenry":-4.087,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.939,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.492,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.382,"logWSol.Reference":"EPA-CCD-OPERA","MP":-41.23,"MP.Reference":"EPA-CCD-OPERA","MW":236.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7785-33-3"}
{"Compound":"(+)-alpha-pinene","CAS":"7785-70-8","CAS.Checksum":true,"DTXSID":"DTXSID7041671","Formula":"C10H16","All.Compound.Names":"(+)-alpha-pinene|Dtxsid7041671","logHenry":-0.8746,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.826,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3811,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.734,"logWSol.Reference":"EPA-CCD-OPERA","MP":-59.62,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7785-70-8"}
{"Compound":"2-methoxy-4-vinylphenol","CAS":"7786-61-0","CAS.Checksum":true,"DTXSID":"DTXSID7052529","Formula":"C9H10O2","All.Compound.Names":"2-methoxy-4-vinylphenol|Dtxsid7052529|7786-61-0","logHenry":-6.53,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.225,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.503,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.984,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.36,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7786-61-0"}
{"Compound":"5-methyl-2-(prop-1-en-2-yl)cyclohexanol","CAS":"7786-67-6","CAS.Checksum":true,"DTXSID":"DTXSID3044461","Formula":"C10H18O","All.Compound.Names":"5-methyl-2-(prop-1-en-2-yl)cyclohexanol|Dtxsid3044461|5-methyl-2-(1-methylethenyl)cyclohexanol|7786-67-6","logHenry":-5.479,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.122,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.736,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.23,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7786-67-6"}
{"Compound":"Beryllium sulfate tetrahydrate","CAS":"7787-56-6","CAS.Checksum":true,"DTXSID":"DTXSID3024603","Formula":"BeH8O8S","All.Compound.Names":"Beryllium sulfate tetrahydrate","MW":177.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7787-56-6"}
{"Compound":"Bismuth oxychloride","CAS":"7787-59-9","CAS.Checksum":true,"DTXSID":"DTXSID2020181","Formula":"BiClO","All.Compound.Names":"Bismuth oxychloride","MW":260.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7787-59-9"}
{"Compound":"Doxazosin mesylate","CAS":"77883-43-3","CAS.Checksum":true,"DTXSID":"DTXSID5045598","Formula":"C24H29N5O8S","All.Compound.Names":"Doxazosin mesylate|Dtxsid5045598|77883-43-3","logHenry":-9.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.657,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.532,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.129,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.3,"MP.Reference":"EPA-CCD-OPERA","MW":547.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77883-43-3"}
{"Compound":"Sodium dichromate(vi) dihydrate","CAS":"7789-12-0","CAS.Checksum":true,"DTXSID":"DTXSID6032061","Formula":"Cr2H4Na2O9","All.Compound.Names":"Sodium dichromate(vi) dihydrate|Sodium dichromate dihydrate","MW":298,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7789-12-0"}
{"Compound":"Fluorosulfonic acid","CAS":"7789-21-1","CAS.Checksum":true,"DTXSID":"DTXSID3033511","Formula":"FHO3S","All.Compound.Names":"Fluorosulfonic acid","MW":100.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7789-21-1"}
{"Compound":"Sodium bromate","CAS":"7789-38-0","CAS.Checksum":true,"DTXSID":"DTXSID9023837","Formula":"BrNaO3","All.Compound.Names":"Sodium bromate","MW":150.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7789-38-0"}
{"Compound":"Calcium bromide","CAS":"7789-41-5","CAS.Checksum":true,"DTXSID":"DTXSID0044577","Formula":"Br2Ca","All.Compound.Names":"Calcium bromide","MW":199.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7789-41-5"}
{"Compound":"Ammonium perchlorate","CAS":"7790-98-9","CAS.Checksum":true,"DTXSID":"DTXSID4024515","Formula":"ClH4NO4","All.Compound.Names":"Ammonium perchlorate","MW":117.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7790-98-9"}
{"Compound":"Magnesium chloride hexahydrate","CAS":"7791-18-6","CAS.Checksum":true,"DTXSID":"DTXSID0020789","Formula":"Cl2H12MgO6","All.Compound.Names":"Magnesium chloride hexahydrate","MW":203.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7791-18-6"}
{"Compound":"Sulfuryl chloride","CAS":"7791-25-5","CAS.Checksum":true,"DTXSID":"DTXSID6029707","Formula":"Cl2O2S","All.Compound.Names":"Sulfuryl chloride","MW":135,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7791-25-5"}
{"Compound":"1-octanesulfonyl chloride","CAS":"7795-95-1","CAS.Checksum":true,"DTXSID":"DTXSID4027658","Formula":"C8H17ClO2S","All.Compound.Names":"1-octanesulfonyl chloride|Dtxsid4027658","logHenry":-4.077,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.985,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.776,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.417,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.07,"MP.Reference":"EPA-CCD-OPERA","MW":212.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7795-95-1"}
{"Compound":"Ethyltriethoxysilane","CAS":"78-07-9","CAS.Checksum":true,"DTXSID":"DTXSID7041962","Formula":"C8H20O3Si","All.Compound.Names":"Ethyltriethoxysilane|Dtxsid7041962","logHenry":-3.394,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.828,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.64,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.62,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.16,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-07-9"}
{"Compound":"Ethenyl(triethoxy)silane","CAS":"78-08-0","CAS.Checksum":true,"DTXSID":"DTXSID3044463","Formula":"C8H18O3Si","All.Compound.Names":"Ethenyl(triethoxy)silane|Dtxsid3044463","logHenry":-3.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.579,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.979,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.578,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.75,"MP.Reference":"EPA-CCD-OPERA","MW":190.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-08-0"}
{"Compound":"Tetraethyl orthosilicate","CAS":"78-10-4","CAS.Checksum":true,"DTXSID":"DTXSID6026450","Formula":"C8H20O4Si","All.Compound.Names":"Tetraethyl orthosilicate|Dtxsid6026450","logHenry":-5.752,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.519,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.95,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.336,"logWSol.Reference":"EPA-CCD-OPERA","MP":-82.45,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-10-4"}
{"Compound":"Pentaerythritol tetranitrate","CAS":"78-11-5","CAS.Checksum":true,"DTXSID":"DTXSID2023430","Formula":"C5H8N4O12","All.Compound.Names":"Pentaerythritol tetranitrate|78-11-5|Dtxsid2023430","logHenry":-6.074,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.516,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.535,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.866,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.4,"MP.Reference":"EPA-CCD-OPERA","MW":316.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.6,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"78-11-5"}
{"Compound":"1-ethynylcyclohexanol","CAS":"78-27-3","CAS.Checksum":true,"DTXSID":"DTXSID0021757","Formula":"C8H12O","All.Compound.Names":"1-ethynylcyclohexanol|Dtxsid0021757|78-27-3","logHenry":-5.515,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.728,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.218,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6464,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.49,"MP.Reference":"EPA-CCD-OPERA","MW":124.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-27-3"}
{"Compound":"Tri-o-cresyl phosphate","CAS":"78-30-8","CAS.Checksum":true,"DTXSID":"DTXSID6032192","Formula":"C21H21O4P","All.Compound.Names":"Tri-o-cresyl phosphate|Dtxsid6032192","logHenry":-4.682,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.15,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.553,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.496,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.88,"MP.Reference":"EPA-CCD-OPERA","MW":368.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-30-8"}
{"Compound":"Linalyl isobutyrate","CAS":"78-35-3","CAS.Checksum":true,"DTXSID":"DTXSID6047490","Formula":"C14H24O2","All.Compound.Names":"Linalyl isobutyrate|Dtxsid6047490","logHenry":-3.708,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.981,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.342,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.075,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.71,"MP.Reference":"EPA-CCD-OPERA","MW":224.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-35-3"}
{"Compound":"Linalyl cinnamate","CAS":"78-37-5","CAS.Checksum":true,"DTXSID":"DTXSID4047410","Formula":"C19H24O2","All.Compound.Names":"Linalyl cinnamate|Dtxsid4047410","logHenry":-6.045,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.197,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.667,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.296,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.621,"MP.Reference":"EPA-CCD-OPERA","MW":284.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-37-5"}
{"Compound":"Diethyl ethylphosphonate","CAS":"78-38-6","CAS.Checksum":true,"DTXSID":"DTXSID7025051","Formula":"C6H15O3P","All.Compound.Names":"Diethyl ethylphosphonate|Dtxsid7025051","logHenry":-6.417,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.66,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.16,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5299,"logWSol.Reference":"EPA-CCD-OPERA","MP":-64.17,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-38-6"}
{"Compound":"Triethyl phosphate","CAS":"78-40-0","CAS.Checksum":true,"DTXSID":"DTXSID8026228","Formula":"C6H15O4P","All.Compound.Names":"Triethyl phosphate|Dtxsid8026228","logHenry":-7.441,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8001,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.99,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4306,"logWSol.Reference":"EPA-CCD-OPERA","MP":-56.38,"MP.Reference":"EPA-CCD-OPERA","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-40-0"}
{"Compound":"Triparanol","CAS":"78-41-1","CAS.Checksum":true,"DTXSID":"DTXSID6046507","Formula":"C27H32ClNO2","All.Compound.Names":"Triparanol|Dtxsid6046507|78-41-1","logHenry":-8.586,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.066,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.202,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.91,"logWSol.Reference":"EPA-CCD-OPERA","MP":103,"MP.Reference":"EPA-CCD-OPERA","MW":438,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-41-1"}
{"Compound":"Carisoprodol","CAS":"78-44-4","CAS.Checksum":true,"DTXSID":"DTXSID8024733","Formula":"C12H24N2O4","All.Compound.Names":"Carisoprodol|Dtxsid8024733|78-44-4","logHenry":-9.199,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.402,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.002,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.937,"logWSol.Reference":"EPA-CCD-OPERA","MP":91.87,"MP.Reference":"EPA-CCD-OPERA","MW":260.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-44-4"}
{"Compound":"Dibutyl butylphosphonate","CAS":"78-46-6","CAS.Checksum":true,"DTXSID":"DTXSID6052536","Formula":"C12H27O3P","All.Compound.Names":"Dibutyl butylphosphonate|Dtxsid6052536","logHenry":-5.805,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.53,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.861,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.697,"logWSol.Reference":"EPA-CCD-OPERA","MP":-67.7,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-46-6"}
{"Compound":"Tris(2-butoxyethyl) phosphate","CAS":"78-51-3","CAS.Checksum":true,"DTXSID":"DTXSID5021758","Formula":"C18H39O7P","All.Compound.Names":"Tris(2-butoxyethyl) phosphate|Dtxsid5021758","logHenry":-5.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.749,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.977,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.561,"logWSol.Reference":"EPA-CCD-OPERA","MP":-69.88,"MP.Reference":"EPA-CCD-OPERA","MW":398.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-51-3"}
{"Compound":"Diethoxy(dimethyl)silane","CAS":"78-62-6","CAS.Checksum":true,"DTXSID":"DTXSID6052538","Formula":"C6H16O2Si","All.Compound.Names":"Diethoxy(dimethyl)silane|Dtxsid6052538","logHenry":-2.009,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6135,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.604,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.974,"logWSol.Reference":"EPA-CCD-OPERA","MP":-86.99,"MP.Reference":"EPA-CCD-OPERA","MW":148.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-62-6"}
{"Compound":"2,5-dimethyl-2,5-di-(tert-butylperoxy)hexane","CAS":"78-63-7","CAS.Checksum":true,"DTXSID":"DTXSID9025110","Formula":"C16H34O4","All.Compound.Names":"2,5-dimethyl-2,5-di-(tert-butylperoxy)hexane|Dtxsid9025110","logHenry":-4.978,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.465,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.971,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.112,"logWSol.Reference":"EPA-CCD-OPERA","MP":7.884,"MP.Reference":"EPA-CCD-OPERA","MW":290.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-63-7"}
{"Compound":"2,2'-azobis(2-methylpropanenitrile)","CAS":"78-67-1","CAS.Checksum":true,"DTXSID":"DTXSID1026457","Formula":"C8H12N4","All.Compound.Names":"2,2'-azobis(2-methylpropanenitrile)|Azobisisobutyronitrile|Dtxsid1026457|78-67-1","logHenry":-6.877,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.101,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.041,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.667,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.4,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-67-1"}
{"Compound":"3,7-dimethyl-3-octanol","CAS":"78-69-3","CAS.Checksum":true,"DTXSID":"DTXSID7029110","Formula":"C10H22O","All.Compound.Names":"3,7-dimethyl-3-octanol|Dtxsid7029110|78-69-3","logHenry":-4.609,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.607,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.817,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.704,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.79,"MP.Reference":"EPA-CCD-OPERA","MW":158.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-69-3"}
{"Compound":"Linalool","CAS":"78-70-6","CAS.Checksum":true,"DTXSID":"DTXSID7025502","Formula":"C10H18O","All.Compound.Names":"Linalool|Dtxsid7025502|78-70-6","logHenry":-4.671,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.971,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.529,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.989,"logWSol.Reference":"EPA-CCD-OPERA","MP":-23.84,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-70-6"}
{"Compound":"2-bromobutane","CAS":"78-76-2","CAS.Checksum":true,"DTXSID":"DTXSID7021499","Formula":"C4H9Br","All.Compound.Names":"2-bromobutane|Dtxsid7021499","logHenry":-1.774,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.673,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5467,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.339,"logWSol.Reference":"EPA-CCD-OPERA","MP":-112.5,"MP.Reference":"EPA-CCD-OPERA","MW":137,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-76-2"}
{"Compound":"1-bromo-2-methylpropane","CAS":"78-77-3","CAS.Checksum":true,"DTXSID":"DTXSID1052539","Formula":"C4H9Br","All.Compound.Names":"1-bromo-2-methylpropane|Dtxsid1052539","logHenry":-1.8,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.843,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3769,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.428,"logWSol.Reference":"EPA-CCD-OPERA","MP":-117.1,"MP.Reference":"EPA-CCD-OPERA","MW":137,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-77-3"}
{"Compound":"Isoprene","CAS":"78-79-5","CAS.Checksum":true,"DTXSID":"DTXSID2020761","Formula":"C5H8","All.Compound.Names":"Isoprene|Dtxsid2020761","logHenry":-1.27,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.418,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.242,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.028,"logWSol.Reference":"EPA-CCD-OPERA","MP":-145.1,"MP.Reference":"EPA-CCD-OPERA","MW":68.12,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-79-5"}
{"Compound":"2-methylpropanenitrile","CAS":"78-82-0","CAS.Checksum":true,"DTXSID":"DTXSID5026461","Formula":"C4H7N","All.Compound.Names":"2-methylpropanenitrile|Dtxsid5026461","logHenry":-4.501,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4619,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.364,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2831,"logWSol.Reference":"EPA-CCD-OPERA","MP":-71.77,"MP.Reference":"EPA-CCD-OPERA","MW":69.11,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-82-0"}
{"Compound":"2-methyl-1-propanol","CAS":"78-83-1","CAS.Checksum":true,"DTXSID":"DTXSID0021759","Formula":"C4H10O","All.Compound.Names":"2-methyl-1-propanol|Dtxsid0021759|78-83-1","logHenry":-5.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7614,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.132,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.04905,"logWSol.Reference":"EPA-CCD-OPERA","MP":-107.9,"MP.Reference":"EPA-CCD-OPERA","MW":74.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-83-1"}
{"Compound":"2-methylpropanal","CAS":"78-84-2","CAS.Checksum":true,"DTXSID":"DTXSID9021635","Formula":"C4H8O","All.Compound.Names":"2-methylpropanal|Dtxsid9021635","logHenry":-3.997,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7109,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.759,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.09232,"logWSol.Reference":"EPA-CCD-OPERA","MP":-65.83,"MP.Reference":"EPA-CCD-OPERA","MW":72.11,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-84-2"}
{"Compound":"2-chlorobutane","CAS":"78-86-4","CAS.Checksum":true,"DTXSID":"DTXSID9023966","Formula":"C4H9Cl","All.Compound.Names":"2-chlorobutane|Dtxsid9023966","logHenry":-1.619,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.328,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.4693,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.965,"logWSol.Reference":"EPA-CCD-OPERA","MP":-138.6,"MP.Reference":"EPA-CCD-OPERA","MW":92.57,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-86-4"}
{"Compound":"1,2-dichloropropane","CAS":"78-87-5","CAS.Checksum":true,"DTXSID":"DTXSID0020448","Formula":"C3H6Cl2","All.Compound.Names":"1,2-dichloropropane|Dtxsid0020448","logHenry":-2.554,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.985,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.004,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.611,"logWSol.Reference":"EPA-CCD-OPERA","MP":-99.53,"MP.Reference":"EPA-CCD-OPERA","MW":113,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"57.19","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.5441","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"89","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.2319","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"78-87-5"}
{"Compound":"2,3-dichloro-1-propene","CAS":"78-88-6","CAS.Checksum":true,"DTXSID":"DTXSID6025012","Formula":"C3H4Cl2","All.Compound.Names":"2,3-dichloro-1-propene|Dtxsid6025012","logHenry":-3.485,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.995,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.235,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.711,"logWSol.Reference":"EPA-CCD-OPERA","MP":-49.11,"MP.Reference":"EPA-CCD-OPERA","MW":111,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-88-6"}
{"Compound":"1,2-diaminopropane","CAS":"78-90-0","CAS.Checksum":true,"DTXSID":"DTXSID4021761","Formula":"C3H10N2","All.Compound.Names":"1,2-diaminopropane|Dtxsid4021761|78-90-0","logHenry":-7.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.587,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.485,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9839,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.73,"MP.Reference":"EPA-CCD-OPERA","MW":74.13,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-90-0"}
{"Compound":"2-butanol","CAS":"78-92-2","CAS.Checksum":true,"DTXSID":"DTXSID9021762","Formula":"C4H10O","All.Compound.Names":"2-butanol|Dtxsid9021762|78-92-2","logHenry":-5.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6118,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.282,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3449,"logWSol.Reference":"EPA-CCD-OPERA","MP":-114,"MP.Reference":"EPA-CCD-OPERA","MW":74.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-92-2"}
{"Compound":"Methyl ethyl ketone","CAS":"78-93-3","CAS.Checksum":true,"DTXSID":"DTXSID3021516","Formula":"C4H8O","All.Compound.Names":"Methyl ethyl ketone|Dtxsid3021516","logHenry":-4.244,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2914,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.434,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5029,"logWSol.Reference":"EPA-CCD-OPERA","MP":-86.39,"MP.Reference":"EPA-CCD-OPERA","MW":72.11,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"50.86","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.8744","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"50.86","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.5613","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"78-93-3"}
{"Compound":"Methyl vinyl ketone","CAS":"78-94-4","CAS.Checksum":true,"DTXSID":"DTXSID3025671","Formula":"C4H6O","All.Compound.Names":"Methyl vinyl ketone|Dtxsid3025671","logHenry":-4.305,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9047,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.763,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5057,"logWSol.Reference":"EPA-CCD-OPERA","MP":-66.81,"MP.Reference":"EPA-CCD-OPERA","MW":70.09,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-94-4"}
{"Compound":"1-chloropropan-2-one","CAS":"78-95-5","CAS.Checksum":true,"DTXSID":"DTXSID0021547","Formula":"C3H5ClO","All.Compound.Names":"1-chloropropan-2-one|Dtxsid0021547","logHenry":-4.781,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.825,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.328,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.01331,"logWSol.Reference":"EPA-CCD-OPERA","MP":-52.59,"MP.Reference":"EPA-CCD-OPERA","MW":92.52,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-95-5"}
{"Compound":"1-amino-2-propanol","CAS":"78-96-6","CAS.Checksum":true,"DTXSID":"DTXSID9021764","Formula":"C3H9NO","All.Compound.Names":"1-amino-2-propanol|Dtxsid9021764|78-96-6","logHenry":-7.243,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9635,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.721,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.124,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.93,"MP.Reference":"EPA-CCD-OPERA","MW":75.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-96-6"}
{"Compound":"Lactonitrile","CAS":"78-97-7","CAS.Checksum":true,"DTXSID":"DTXSID6025432","Formula":"C3H5NO","All.Compound.Names":"Lactonitrile|Dtxsid6025432|78-97-7","logHenry":-6.732,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9371,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.028,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.001,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.91,"MP.Reference":"EPA-CCD-OPERA","MW":71.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-97-7"}
{"Compound":"Methyl glyoxal","CAS":"78-98-8","CAS.Checksum":true,"DTXSID":"DTXSID0021628","Formula":"C3H4O2","All.Compound.Names":"Methyl glyoxal|Dtxsid0021628","logHenry":-6.574,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2784,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.078,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9272,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.98,"MP.Reference":"EPA-CCD-OPERA","MW":72.06,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-98-8"}
{"Compound":"Triethoxy(phenyl)silane","CAS":"780-69-8","CAS.Checksum":true,"DTXSID":"DTXSID8044462","Formula":"C12H20O3Si","All.Compound.Names":"Triethoxy(phenyl)silane|Dtxsid8044462","logHenry":-5.759,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.989,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.572,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.992,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.06,"MP.Reference":"EPA-CCD-OPERA","MW":240.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"780-69-8"}
{"Compound":"2-acetylfluorene","CAS":"781-73-7","CAS.Checksum":true,"DTXSID":"DTXSID6049357","Formula":"C15H12O","All.Compound.Names":"2-acetylfluorene|Dtxsid6049357","logHenry":-5.903,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.471,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.409,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.823,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.23,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"781-73-7"}
{"Compound":"Dazoxiben","CAS":"78218-09-4","CAS.Checksum":true,"DTXSID":"DTXSID9045639","Formula":"C12H12N2O3","All.Compound.Names":"Dazoxiben|Dtxsid9045639|78218-09-4","logHenry":-8.302,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.731,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.141,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.45,"logWSol.Reference":"EPA-CCD-OPERA","MP":181,"MP.Reference":"EPA-CCD-OPERA","MW":232.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.75","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78218-09-4"}
{"Compound":"Mebrofenin","CAS":"78266-06-5","CAS.Checksum":true,"DTXSID":"DTXSID1046891","Formula":"C15H19BrN2O5","All.Compound.Names":"Mebrofenin|Dtxsid1046891|78266-06-5","logHenry":-10.64,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.111,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.204,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.796,"logWSol.Reference":"EPA-CCD-OPERA","MP":199,"MP.Reference":"EPA-CCD-OPERA","MW":387.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78266-06-5"}
{"Compound":"Nepafenac","CAS":"78281-72-8","CAS.Checksum":true,"DTXSID":"DTXSID0048638","Formula":"C15H14N2O2","All.Compound.Names":"Nepafenac|Dtxsid0048638|78281-72-8","logHenry":-9.822,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.528,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.791,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.189,"logWSol.Reference":"EPA-CCD-OPERA","MP":242.8,"MP.Reference":"EPA-CCD-OPERA","MW":254.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78281-72-8"}
{"Compound":"2-amino-5-chloro-2'-fluorobenzophenone","CAS":"784-38-3","CAS.Checksum":true,"DTXSID":"DTXSID5057832","Formula":"C13H9ClFNO","All.Compound.Names":"2-amino-5-chloro-2'-fluorobenzophenone|Dtxsid5057832|784-38-3","logHenry":-9.036,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.956,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.34,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.132,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.2,"MP.Reference":"EPA-CCD-OPERA","MW":249.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"784-38-3"}
{"Compound":"Trequinsin hydrochloride","CAS":"78416-81-6","CAS.Checksum":true,"DTXSID":"DTXSID8045806","Formula":"C24H28ClN3O3","All.Compound.Names":"Trequinsin hydrochloride|Dtxsid8045806|78416-81-6","logHenry":-8.419,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.235,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.45,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.659,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.9,"MP.Reference":"EPA-CCD-OPERA","MW":442,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78416-81-6"}
{"Compound":"Ceftazidime pentahydrate","CAS":"78439-06-2","CAS.Checksum":true,"DTXSID":"DTXSID0045599","Formula":"C22H32N6O12S2","All.Compound.Names":"Ceftazidime pentahydrate|Dtxsid0045599|78439-06-2","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.219,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.293,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.008,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.3,"MP.Reference":"EPA-CCD-OPERA","MW":636.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.59","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78439-06-2"}
{"Compound":"Diazolidinyl urea","CAS":"78491-02-8","CAS.Checksum":true,"DTXSID":"DTXSID0029559","Formula":"C8H14N4O7","All.Compound.Names":"Diazolidinyl urea|Dtxsid0029559|78491-02-8","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.81,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5723,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.5,"MP.Reference":"EPA-CCD-OPERA","MW":278.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78491-02-8"}
{"Compound":"4,4'-diaminobenzanilide","CAS":"785-30-8","CAS.Checksum":true,"DTXSID":"DTXSID4020400","Formula":"C13H13N3O","All.Compound.Names":"4,4'-diaminobenzanilide|Dtxsid4020400|785-30-8","logHenry":-10.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.303,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.943,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.479,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.7,"MP.Reference":"EPA-CCD-OPERA","MW":227.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"785-30-8"}
{"Compound":"Sodium prasterone sulfate dihydrate","CAS":"78590-17-7","CAS.Checksum":true,"DTXSID":"DTXSID9045764","Formula":"C19H31NaO7S","All.Compound.Names":"Sodium prasterone sulfate dihydrate|Dtxsid9045764|78590-17-7","logHenry":-9.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.349,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.179,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.868,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.3,"MP.Reference":"EPA-CCD-OPERA","MW":426.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78590-17-7"}
{"Compound":"Carbophenothion","CAS":"786-19-6","CAS.Checksum":true,"DTXSID":"DTXSID7022120","Formula":"C11H16ClO2PS3","All.Compound.Names":"Carbophenothion|Dtxsid7022120","logHenry":-5.057,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.33,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.199,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.738,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.19,"MP.Reference":"EPA-CCD-OPERA","MW":342.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"786-19-6"}
{"Compound":"Amorolfine","CAS":"78613-35-1","CAS.Checksum":true,"DTXSID":"DTXSID0046690","Formula":"C21H35NO","All.Compound.Names":"Amorolfine|Dtxsid0046690|78613-35-1","logHenry":-6.142,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.539,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.832,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.926,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.5,"MP.Reference":"EPA-CCD-OPERA","MW":317.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78613-35-1"}
{"Compound":"Ameltolide","CAS":"787-93-9","CAS.Checksum":true,"DTXSID":"DTXSID7052860","Formula":"C15H16N2O","All.Compound.Names":"Ameltolide|Dtxsid7052860|787-93-9","logHenry":-10.36,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.781,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.434,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.688,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.9,"MP.Reference":"EPA-CCD-OPERA","MW":240.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"787-93-9"}
{"Compound":"Ozagrel hydrochloride","CAS":"78712-43-3","CAS.Checksum":true,"DTXSID":"DTXSID9045506","Formula":"C13H13ClN2O2","All.Compound.Names":"Ozagrel hydrochloride|Dtxsid9045506|78712-43-3","logHenry":-9.706,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5092,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.43,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.493,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.8,"MP.Reference":"EPA-CCD-OPERA","MW":264.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78712-43-3"}
{"Compound":"(2e)-3-phenylprop-2-en-1-yl propanoate","CAS":"78761-38-3","CAS.Checksum":true,"DTXSID":"DTXSID6047606","Formula":"C12H14O2","All.Compound.Names":"(2e)-3-phenylprop-2-en-1-yl propanoate|Dtxsid6047606","logHenry":-4.308,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.984,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.136,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.764,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.95,"MP.Reference":"EPA-CCD-OPERA","MW":190.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78761-38-3"}
{"Compound":"Ethyl 7-chloro-2-oxoheptanoate","CAS":"78834-75-0","CAS.Checksum":true,"DTXSID":"DTXSID0057833","Formula":"C9H15ClO3","All.Compound.Names":"Ethyl 7-chloro-2-oxoheptanoate|Dtxsid0057833","logHenry":-5.666,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.901,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.062,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.167,"logWSol.Reference":"EPA-CCD-OPERA","MP":-37.87,"MP.Reference":"EPA-CCD-OPERA","MW":206.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78834-75-0"}
{"Compound":"Mofezolac","CAS":"78967-07-4","CAS.Checksum":true,"DTXSID":"DTXSID1046716","Formula":"C19H17NO5","All.Compound.Names":"Mofezolac|Dtxsid1046716|78967-07-4","logHenry":-8.513,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.122,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.34,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.982,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.2,"MP.Reference":"EPA-CCD-OPERA","MW":339.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78967-07-4"}
{"Compound":"(dl)-trans-3-methylfentanyl hydrochloride","CAS":"78995-09-2","CAS.Checksum":true,"DTXSID":"DTXSID4048931","Formula":"C23H31ClN2O","All.Compound.Names":"(dl)-trans-3-methylfentanyl hydrochloride|Trans-3-methylfentanyl hydrochloride|Dtxsid4048931|78995-09-2","logHenry":-8.38,"logHenry.Reference":"OPERA29","logP":3.89,"logP.Reference":"OPERA29","logWSol":-4.28,"logWSol.Reference":"OPERA29","MP":163,"MP.Reference":"OPERA29","MW":387,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78995-09-2"}
{"Compound":"Dl-cis-3-methylfentanyl hydrochloride","CAS":"78995-18-3","CAS.Checksum":true,"DTXSID":"DTXSID9048930","Formula":"C23H31ClN2O","All.Compound.Names":"Dl-cis-3-methylfentanyl hydrochloride|(?)-cis-3-methyl fentanyl hydrochloride|Dtxsid9048930|78995-18-3","logHenry":-8.38,"logHenry.Reference":"OPERA29","logP":3.89,"logP.Reference":"OPERA29","logWSol":-4.28,"logWSol.Reference":"OPERA29","MP":163,"MP.Reference":"OPERA29","MW":387,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78995-18-3"}
{"Compound":"1,1,2-trichloroethane","CAS":"79-00-5","CAS.Checksum":true,"DTXSID":"DTXSID5021380","Formula":"C2H3Cl3","All.Compound.Names":"1,1,2-trichloroethane|Dtxsid5021380","logHenry":-3.083,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.98,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.374,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.476,"logWSol.Reference":"EPA-CCD-OPERA","MP":-36.63,"MP.Reference":"EPA-CCD-OPERA","MW":133.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-00-5"}
{"Compound":"Trichloroethylene","CAS":"79-01-6","CAS.Checksum":true,"DTXSID":"DTXSID0021383","Formula":"C2HCl3","All.Compound.Names":"Trichloroethylene|Dtxsid0021383","logHenry":-2.009,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.514,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7278,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.003,"logWSol.Reference":"EPA-CCD-OPERA","MP":-84.43,"MP.Reference":"EPA-CCD-OPERA","MW":131.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10.98","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.295","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"59.52","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.1464","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"79-01-6"}
{"Compound":"Chloroacetyl chloride","CAS":"79-04-9","CAS.Checksum":true,"DTXSID":"DTXSID4026472","Formula":"C2H2Cl2O","All.Compound.Names":"Chloroacetyl chloride|Dtxsid4026472","logHenry":-5.681,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.543,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.576,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2604,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.01,"MP.Reference":"EPA-CCD-OPERA","MW":112.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-04-9"}
{"Compound":"Acetamide, 2-chloro-","CAS":"79-07-2","CAS.Checksum":true,"DTXSID":"DTXSID9041570","Formula":"C2H4ClNO","All.Compound.Names":"Acetamide, 2-chloro-|Chloroacetamide|Dtxsid9041570|79-07-2","logHenry":-7.692,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5302,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.306,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.02119,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.9,"MP.Reference":"EPA-CCD-OPERA","MW":93.51,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-07-2"}
{"Compound":"Bromoacetic acid","CAS":"79-08-3","CAS.Checksum":true,"DTXSID":"DTXSID7021495","Formula":"C2H3BrO2","All.Compound.Names":"Bromoacetic acid|Dtxsid7021495|79-08-3","logHenry":-8.183,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4101,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.774,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.098,"logWSol.Reference":"EPA-CCD-OPERA","MP":50.17,"MP.Reference":"EPA-CCD-OPERA","MW":138.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-08-3"}
{"Compound":"Propionic acid","CAS":"79-09-4","CAS.Checksum":true,"DTXSID":"DTXSID8025961","Formula":"C3H6O2","All.Compound.Names":"Propionic acid|Dtxsid8025961|79-09-4","logHenry":-6.352,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3309,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.614,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9222,"logWSol.Reference":"EPA-CCD-OPERA","MP":-20.53,"MP.Reference":"EPA-CCD-OPERA","MW":74.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-09-4"}
{"Compound":"Acrylic acid","CAS":"79-10-7","CAS.Checksum":true,"DTXSID":"DTXSID0039229","Formula":"C3H4O2","All.Compound.Names":"Acrylic acid|Dtxsid0039229|79-10-7","logHenry":-6.702,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3501,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.47,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.141,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.56,"MP.Reference":"EPA-CCD-OPERA","MW":72.06,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-10-7"}
{"Compound":"Chloroacetic acid","CAS":"79-11-8","CAS.Checksum":true,"DTXSID":"DTXSID4020901","Formula":"C2H3ClO2","All.Compound.Names":"Chloroacetic acid|Dtxsid4020901|79-11-8","logHenry":-8.031,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2203,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.838,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.938,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.98,"MP.Reference":"EPA-CCD-OPERA","MW":94.49,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-11-8"}
{"Compound":"Glycolic acid","CAS":"79-14-1","CAS.Checksum":true,"DTXSID":"DTXSID0025363","Formula":"C2H4O3","All.Compound.Names":"Glycolic acid|Dtxsid0025363|79-14-1","logHenry":-8.27,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.111,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.633,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4829,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.41,"MP.Reference":"EPA-CCD-OPERA","MW":76.05,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-14-1"}
{"Compound":"N-methylacetamide","CAS":"79-16-3","CAS.Checksum":true,"DTXSID":"DTXSID0047167","Formula":"C3H7NO","All.Compound.Names":"N-methylacetamide|Dtxsid0047167|79-16-3","logHenry":-7.135,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.051,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.251,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.134,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.07,"MP.Reference":"EPA-CCD-OPERA","MW":73.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-16-3"}
{"Compound":"Thiosemicarbazide","CAS":"79-19-6","CAS.Checksum":true,"DTXSID":"DTXSID9021346","Formula":"CH5N3S","All.Compound.Names":"Thiosemicarbazide|Dtxsid9021346|79-19-6","logHenry":-8.29,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.506,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.626,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9566,"logWSol.Reference":"EPA-CCD-OPERA","MP":183,"MP.Reference":"EPA-CCD-OPERA","MW":91.13,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-19-6"}
{"Compound":"Methyl acetate","CAS":"79-20-9","CAS.Checksum":true,"DTXSID":"DTXSID4021767","Formula":"C3H6O2","All.Compound.Names":"Methyl acetate|Dtxsid4021767","logHenry":-3.938,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1795,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.133,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4824,"logWSol.Reference":"EPA-CCD-OPERA","MP":-97.73,"MP.Reference":"EPA-CCD-OPERA","MW":74.08,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-20-9"}
{"Compound":"Peracetic acid","CAS":"79-21-0","CAS.Checksum":true,"DTXSID":"DTXSID1025853","Formula":"C2H4O3","All.Compound.Names":"Peracetic acid|Dtxsid1025853|79-21-0","logHenry":-5.671,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.875,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.654,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.12,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.193,"MP.Reference":"EPA-CCD-OPERA","MW":76.05,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-21-0"}
{"Compound":"Methyl chlorocarbonate","CAS":"79-22-1","CAS.Checksum":true,"DTXSID":"DTXSID0024185","Formula":"C2H3ClO2","All.Compound.Names":"Methyl chlorocarbonate|Dtxsid0024185","logHenry":-3.774,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.0888,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.45,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.357,"logWSol.Reference":"EPA-CCD-OPERA","MP":-60.97,"MP.Reference":"EPA-CCD-OPERA","MW":94.49,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-22-1"}
{"Compound":"Nitroethane","CAS":"79-24-3","CAS.Checksum":true,"DTXSID":"DTXSID8020969","Formula":"C2H5NO2","All.Compound.Names":"Nitroethane|Dtxsid8020969","logHenry":-4.323,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1693,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.645,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2112,"logWSol.Reference":"EPA-CCD-OPERA","MP":-89.5,"MP.Reference":"EPA-CCD-OPERA","MW":75.07,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-24-3"}
{"Compound":"1,1,2,2-tetrabromoethane","CAS":"79-27-6","CAS.Checksum":true,"DTXSID":"DTXSID1026083","Formula":"C2H2Br4","All.Compound.Names":"1,1,2,2-tetrabromoethane|Dtxsid1026083","logHenry":-4.604,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.422,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.66,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.718,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.3221,"MP.Reference":"EPA-CCD-OPERA","MW":345.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-27-6"}
{"Compound":"2,3-dimethylbutane","CAS":"79-29-8","CAS.Checksum":true,"DTXSID":"DTXSID9025112","Formula":"C6H14","All.Compound.Names":"2,3-dimethylbutane|Dtxsid9025112","logHenry":-0.3483,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.421,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.815,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.598,"logWSol.Reference":"EPA-CCD-OPERA","MP":-127.5,"MP.Reference":"EPA-CCD-OPERA","MW":86.18,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-29-8"}
{"Compound":"2-methylpropanoyl chloride","CAS":"79-30-1","CAS.Checksum":true,"DTXSID":"DTXSID0052542","Formula":"C4H7ClO","All.Compound.Names":"2-methylpropanoyl chloride|Dtxsid0052542","logHenry":-4.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7793,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.399,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.495,"logWSol.Reference":"EPA-CCD-OPERA","MP":-89.97,"MP.Reference":"EPA-CCD-OPERA","MW":106.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-30-1"}
{"Compound":"2-methylpropanoic acid","CAS":"79-31-2","CAS.Checksum":true,"DTXSID":"DTXSID4021636","Formula":"C4H8O2","All.Compound.Names":"2-methylpropanoic acid|Dtxsid4021636|79-31-2","logHenry":-6.054,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9406,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.16,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2765,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.74,"MP.Reference":"EPA-CCD-OPERA","MW":88.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-31-2"}
{"Compound":"Dichloroacetyl chloride","CAS":"79-36-7","CAS.Checksum":true,"DTXSID":"DTXSID6024965","Formula":"C2HCl3O","All.Compound.Names":"Dichloroacetyl chloride|Dtxsid6024965","logHenry":-4.007,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.431,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.476,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6751,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.217,"MP.Reference":"EPA-CCD-OPERA","MW":147.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-36-7"}
{"Compound":"Methacrylamide","CAS":"79-39-0","CAS.Checksum":true,"DTXSID":"DTXSID8029600","Formula":"C4H7NO","All.Compound.Names":"Methacrylamide|Dtxsid8029600|79-39-0","logHenry":-7.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.108,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.872,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8737,"logWSol.Reference":"EPA-CCD-OPERA","MP":110,"MP.Reference":"EPA-CCD-OPERA","MW":85.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-39-0"}
{"Compound":"Dithiooxamide","CAS":"79-40-3","CAS.Checksum":true,"DTXSID":"DTXSID3020546","Formula":"C2H4N2S2","All.Compound.Names":"Dithiooxamide|Dtxsid3020546|79-40-3","logHenry":-8.659,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.03974,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.556,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.0427,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.3,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-40-3"}
{"Compound":"Methacrylic acid","CAS":"79-41-4","CAS.Checksum":true,"DTXSID":"DTXSID3025542","Formula":"C4H6O2","All.Compound.Names":"Methacrylic acid|Dtxsid3025542|79-41-4","logHenry":-6.412,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9275,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.134,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01621,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.63,"MP.Reference":"EPA-CCD-OPERA","MW":86.09,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-41-4"}
{"Compound":"Dimethylcarbamoyl chloride","CAS":"79-44-7","CAS.Checksum":true,"DTXSID":"DTXSID1020512","Formula":"C3H6ClNO","All.Compound.Names":"Dimethylcarbamoyl chloride|Dtxsid1020512|79-44-7","logHenry":-7.55,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3637,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.319,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2362,"logWSol.Reference":"EPA-CCD-OPERA","MP":-32.92,"MP.Reference":"EPA-CCD-OPERA","MW":107.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-44-7"}
{"Compound":"2-nitropropane","CAS":"79-46-9","CAS.Checksum":true,"DTXSID":"DTXSID6020981","Formula":"C3H7NO2","All.Compound.Names":"2-nitropropane|Dtxsid6020981","logHenry":-4.319,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.14,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.12,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6765,"logWSol.Reference":"EPA-CCD-OPERA","MP":-91.27,"MP.Reference":"EPA-CCD-OPERA","MW":89.09,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-46-9"}
{"Compound":"Dimethisteron","CAS":"79-64-1","CAS.Checksum":true,"DTXSID":"DTXSID5057834","Formula":"C23H32O2","All.Compound.Names":"Dimethisteron|Dtxsid5057834|79-64-1","logHenry":-8.291,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.763,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.073,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.292,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.5,"MP.Reference":"EPA-CCD-OPERA","MW":340.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-64-1"}
{"Compound":"Alpha-irone","CAS":"79-69-6","CAS.Checksum":true,"DTXSID":"DTXSID4047042","Formula":"C14H22O","All.Compound.Names":"Alpha-irone|Dtxsid4047042","logHenry":-4.314,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.383,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.286,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.167,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.33,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-69-6"}
{"Compound":"Beta-ionone","CAS":"79-77-6","CAS.Checksum":true,"DTXSID":"DTXSID4021769","Formula":"C13H20O","All.Compound.Names":"Beta-ionone|Dtxsid4021769","logHenry":-3.492,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.945,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.619,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.054,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.34,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-77-6"}
{"Compound":"Allyl ionone","CAS":"79-78-7","CAS.Checksum":true,"DTXSID":"DTXSID4047591","Formula":"C16H24O","All.Compound.Names":"Allyl ionone|Allyl-alpha-ionone|Dtxsid4047591","logHenry":-4.039,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.917,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.528,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.93,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.26,"MP.Reference":"EPA-CCD-OPERA","MW":232.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-78-7"}
{"Compound":"Retinol palmitate","CAS":"79-81-2","CAS.Checksum":true,"DTXSID":"DTXSID1021241","Formula":"C36H60O2","All.Compound.Names":"Retinol palmitate|Dtxsid1021241","logHenry":-6.514,"logHenry.Reference":"EPA-CCD-OPERA","logP":10.22,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.457,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.438,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.51,"MP.Reference":"EPA-CCD-OPERA","MW":524.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-81-2"}
{"Compound":"2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane","CAS":"79-92-5","CAS.Checksum":true,"DTXSID":"DTXSID8026488","Formula":"C10H16","All.Compound.Names":"2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane|Camphene|Dtxsid8026488","logHenry":-1.22,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.218,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2589,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.483,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.2,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-92-5"}
{"Compound":"Fanetizole","CAS":"79069-94-6","CAS.Checksum":true,"DTXSID":"DTXSID9048695","Formula":"C17H16N2S","All.Compound.Names":"Fanetizole|Dtxsid9048695|79069-94-6","logHenry":-7.355,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.483,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.239,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.213,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.7,"MP.Reference":"EPA-CCD-OPERA","MW":280.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79069-94-6"}
{"Compound":"Daltroban","CAS":"79094-20-5","CAS.Checksum":true,"DTXSID":"DTXSID6046501","Formula":"C16H16ClNO4S","All.Compound.Names":"Daltroban|Dtxsid6046501|79094-20-5","logHenry":-8.173,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.227,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.08,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.805,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.8,"MP.Reference":"EPA-CCD-OPERA","MW":353.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79094-20-5"}
{"Compound":"4-chloropentylbenzene","CAS":"79098-20-7","CAS.Checksum":true,"DTXSID":"DTXSID6048206","Formula":"C11H15Cl","All.Compound.Names":"4-chloropentylbenzene|Dtxsid6048206","logHenry":-3.295,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.947,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8568,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.655,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.239,"MP.Reference":"EPA-CCD-OPERA","MW":182.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79098-20-7"}
{"Compound":"Triphenylsilanol","CAS":"791-31-1","CAS.Checksum":true,"DTXSID":"DTXSID1036545","Formula":"C18H16OSi","All.Compound.Names":"Triphenylsilanol|Dtxsid1036545|791-31-1","logHenry":-6.506,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.702,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.917,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.726,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.7,"MP.Reference":"EPA-CCD-OPERA","MW":276.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"791-31-1"}
{"Compound":"Chlophedianol","CAS":"791-35-5","CAS.Checksum":true,"DTXSID":"DTXSID4022789","Formula":"C17H20ClNO","All.Compound.Names":"Chlophedianol|Dtxsid4022789|791-35-5","logHenry":-7.176,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.95,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.662,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.072,"logWSol.Reference":"EPA-CCD-OPERA","MP":119.9,"MP.Reference":"EPA-CCD-OPERA","MW":289.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"791-35-5"}
{"Compound":"Diethylmethylsulfonium bis(trifluoromethylsulfonyl)imide","CAS":"792188-85-3","CAS.Checksum":true,"DTXSID":"DTXSID5047954","Formula":"C7H13F6NO4S3","All.Compound.Names":"Diethylmethylsulfonium bis(trifluoromethylsulfonyl)imide","MW":385.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"792188-85-3"}
{"Compound":"Thifensulfuron-methyl","CAS":"79277-27-3","CAS.Checksum":true,"DTXSID":"DTXSID1024124","Formula":"C12H13N5O6S2","All.Compound.Names":"Thifensulfuron-methyl|Thifensulfuron methyl|Dtxsid1024124|79277-27-3","logHenry":-10.24,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.56,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.983,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.57,"logWSol.Reference":"EPA-CCD-OPERA","MP":176,"MP.Reference":"EPA-CCD-OPERA","MW":387.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79277-27-3"}
{"Compound":"N-phenyl-n-[1-[2-(2-thienyl)ethyl]-4-piperidyl]propanamide hydrochloride","CAS":"79278-88-9","CAS.Checksum":true,"DTXSID":"DTXSID9048938","Formula":"C20H27ClN2OS","All.Compound.Names":"N-phenyl-n-[1-[2-(2-thienyl)ethyl]-4-piperidyl]propanamide hydrochloride|Thiofentanyl hydrochloride|Dtxsid9048938|79278-88-9","logHenry":-7.244,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.792,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.929,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.157,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.4,"MP.Reference":"EPA-CCD-OPERA","MW":379,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79278-88-9"}
{"Compound":"N-(1,3-dimethylbutyl)-n'-phenyl-p-phenylenediamine","CAS":"793-24-8","CAS.Checksum":true,"DTXSID":"DTXSID9025114","Formula":"C18H24N2","All.Compound.Names":"N-(1,3-dimethylbutyl)-n'-phenyl-p-phenylenediamine|6ppd|Dtxsid9025114|793-24-8","logHenry":-7.114,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.94,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.345,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.359,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.92,"MP.Reference":"EPA-CCD-OPERA","MW":268.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"793-24-8"}
{"Compound":"Azelastine hydrochloride","CAS":"79307-93-0","CAS.Checksum":true,"DTXSID":"DTXSID2045945","Formula":"C22H25Cl2N3O","All.Compound.Names":"Azelastine hydrochloride|Dtxsid2045945|79307-93-0","logHenry":-8.491,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.926,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.791,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.535,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.8,"MP.Reference":"EPA-CCD-OPERA","MW":418.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79307-93-0"}
{"Compound":"Methyl aminolevulinate hydrochloride","CAS":"79416-27-6","CAS.Checksum":true,"DTXSID":"DTXSID4045630","Formula":"C6H12ClNO3","All.Compound.Names":"Methyl aminolevulinate hydrochloride|Dtxsid4045630|79416-27-6","logHenry":-9.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.501,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.857,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1862,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.7,"MP.Reference":"EPA-CCD-OPERA","MW":181.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79416-27-6"}
{"Compound":"Nicaraven","CAS":"79455-30-4","CAS.Checksum":true,"DTXSID":"DTXSID6046189","Formula":"C15H16N4O2","All.Compound.Names":"Nicaraven|Dtxsid6046189|79455-30-4","logHenry":-9.426,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.576,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.801,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.628,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.3,"MP.Reference":"EPA-CCD-OPERA","MW":284.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79455-30-4"}
{"Compound":"Bipenamol","CAS":"79467-22-4","CAS.Checksum":true,"DTXSID":"DTXSID0046561","Formula":"C14H15NOS","All.Compound.Names":"Bipenamol|Dtxsid0046561|79467-22-4","logHenry":-7.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.39,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.707,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.353,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.15,"MP.Reference":"EPA-CCD-OPERA","MW":245.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79467-22-4"}
{"Compound":"Dihydroisocodeine","CAS":"795-38-0","CAS.Checksum":true,"DTXSID":"DTXSID2048907","Formula":"C18H23NO3","All.Compound.Names":"Dihydroisocodeine|Dtxsid2048907|795-38-0","logHenry":-8.081,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.666,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.783,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.212,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.9,"MP.Reference":"EPA-CCD-OPERA","MW":301.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"795-38-0"}
{"Compound":"Levocabastine hydrochloride","CAS":"79547-78-7","CAS.Checksum":true,"DTXSID":"DTXSID9045508","Formula":"C26H30ClFN2O2","All.Compound.Names":"Levocabastine hydrochloride|Dtxsid9045508|79547-78-7","logHenry":-7.741,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.099,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.197,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.026,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.6,"MP.Reference":"EPA-CCD-OPERA","MW":457,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79547-78-7"}
{"Compound":"4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy-acetic acid","CAS":"79558-09-1","CAS.Checksum":true,"DTXSID":"DTXSID6040745","Formula":"C22H26O7","All.Compound.Names":"4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy-acetic acid|Dtxsid6040745|79558-09-1","logHenry":-7.796,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.36,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.174,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.187,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.7,"MP.Reference":"EPA-CCD-OPERA","MW":402.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79558-09-1"}
{"Compound":"Sertraline hydrochloride","CAS":"79559-97-0","CAS.Checksum":true,"DTXSID":"DTXSID1040243","Formula":"C17H18Cl3N","All.Compound.Names":"Sertraline hydrochloride|Dtxsid1040243|79559-97-0","logHenry":-4.19,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.816,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.63,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.828,"logWSol.Reference":"EPA-CCD-OPERA","MP":224.8,"MP.Reference":"EPA-CCD-OPERA","MW":342.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79559-97-0"}
{"Compound":"Risarestat","CAS":"79714-31-1","CAS.Checksum":true,"DTXSID":"DTXSID7048796","Formula":"C16H21NO4S","All.Compound.Names":"Risarestat|Dtxsid7048796|79714-31-1","logHenry":-9.104,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.745,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.689,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.38,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.5,"MP.Reference":"EPA-CCD-OPERA","MW":323.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79714-31-1"}
{"Compound":"1-hexylpyridinium hexafluorophosphate","CAS":"797789-00-5","CAS.Checksum":true,"DTXSID":"DTXSID7047936","Formula":"C11H18F6NP","All.Compound.Names":"1-hexylpyridinium hexafluorophosphate|Dtxsid7047936|797789-00-5","logHenry":-2.982,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7096,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.014,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.494,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.5,"MP.Reference":"EPA-CCD-OPERA","MW":309.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"797789-00-5"}
{"Compound":"1-methyl-3-propylimidazolium chloride","CAS":"79917-89-8","CAS.Checksum":true,"DTXSID":"DTXSID1049358","Formula":"C7H15ClN2","All.Compound.Names":"1-methyl-3-propylimidazolium chloride|Dtxsid1049358|79917-89-8","logHenry":-4.97,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.695,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.421,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.502,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.29,"MP.Reference":"EPA-CCD-OPERA","MW":162.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79917-89-8"}
{"Compound":"1-butyl-3-methylimidazolium chloride","CAS":"79917-90-1","CAS.Checksum":true,"DTXSID":"DTXSID6031461","Formula":"C8H15ClN2","All.Compound.Names":"1-butyl-3-methylimidazolium chloride|Dtxsid6031461|79917-90-1","logHenry":-2.096,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2859,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.294,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.5,"MP.Reference":"EPA-CCD-OPERA","MW":174.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79917-90-1"}
{"Compound":"4-chlorophenyl phenyl sulfone","CAS":"80-00-2","CAS.Checksum":true,"DTXSID":"DTXSID9042259","Formula":"C12H9ClO2S","All.Compound.Names":"4-chlorophenyl phenyl sulfone|Dtxsid9042259","logHenry":-5.228,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.193,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.3,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.326,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.01,"MP.Reference":"EPA-CCD-OPERA","MW":252.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-00-2"}
{"Compound":"4,4'-propane-2,2-diyldicyclohexanol","CAS":"80-04-6","CAS.Checksum":true,"DTXSID":"DTXSID0044993","Formula":"C15H28O2","All.Compound.Names":"4,4'-propane-2,2-diyldicyclohexanol|Dtxsid0044993|80-04-6","logHenry":-5.519,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.118,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.069,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.691,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.6,"MP.Reference":"EPA-CCD-OPERA","MW":240.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-04-6"}
{"Compound":"Chlorfenethol","CAS":"80-06-8","CAS.Checksum":true,"DTXSID":"DTXSID7040283","Formula":"C14H12Cl2O","All.Compound.Names":"Chlorfenethol|Dtxsid7040283|80-06-8","logHenry":-8.812,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.12,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.796,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.441,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.02,"MP.Reference":"EPA-CCD-OPERA","MW":267.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"13.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-06-8"}
{"Compound":"Dichlorodiphenylsilane","CAS":"80-10-4","CAS.Checksum":true,"DTXSID":"DTXSID2026494","Formula":"C12H10Cl2Si","All.Compound.Names":"Dichlorodiphenylsilane|Dtxsid2026494","logHenry":-3.283,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.762,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.807,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.165,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.2,"MP.Reference":"EPA-CCD-OPERA","MW":253.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-10-4"}
{"Compound":"Halazone","CAS":"80-13-7","CAS.Checksum":true,"DTXSID":"DTXSID9025370","Formula":"C7H5Cl2NO4S","All.Compound.Names":"Halazone|Dtxsid9025370|80-13-7","logHenry":-9.287,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.402,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.669,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.601,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.1,"MP.Reference":"EPA-CCD-OPERA","MW":270.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-13-7"}
{"Compound":"Cumene hydroperoxide","CAS":"80-15-9","CAS.Checksum":true,"DTXSID":"DTXSID3024869","Formula":"C9H12O2","All.Compound.Names":"Cumene hydroperoxide|Dtxsid3024869|80-15-9","logHenry":-5.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.435,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.611,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.041,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.877,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-15-9"}
{"Compound":"Alpha-terpinyl acetate","CAS":"80-26-2","CAS.Checksum":true,"DTXSID":"DTXSID2026496","Formula":"C12H20O2","All.Compound.Names":"Alpha-terpinyl acetate|Dtxsid2026496","logHenry":-3.833,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.96,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.768,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.877,"logWSol.Reference":"EPA-CCD-OPERA","MP":-13.39,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-26-2"}
{"Compound":"Terpinyl propionate","CAS":"80-27-3","CAS.Checksum":true,"DTXSID":"DTXSID3044833","Formula":"C13H22O2","All.Compound.Names":"Terpinyl propionate|Dtxsid3044833","logHenry":-3.706,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.264,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.039,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.584,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.555,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-27-3"}
{"Compound":"N-cyclohexyl-4-methylbenzenesulfonamide","CAS":"80-30-8","CAS.Checksum":true,"DTXSID":"DTXSID1024885","Formula":"C13H19NO2S","All.Compound.Names":"N-cyclohexyl-4-methylbenzenesulfonamide|Dtxsid1024885|80-30-8","logHenry":-6.727,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.765,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.275,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.163,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.92,"MP.Reference":"EPA-CCD-OPERA","MW":253.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-30-8"}
{"Compound":"Sulfachloropyridazine","CAS":"80-32-0","CAS.Checksum":true,"DTXSID":"DTXSID9045265","Formula":"C10H9ClN4O2S","All.Compound.Names":"Sulfachloropyridazine|Dtxsid9045265|80-32-0","logHenry":-10.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.559,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.639,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.614,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.1,"MP.Reference":"EPA-CCD-OPERA","MW":284.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-32-0"}
{"Compound":"Chlorfenson","CAS":"80-33-1","CAS.Checksum":true,"DTXSID":"DTXSID5020310","Formula":"C12H8Cl2O3S","All.Compound.Names":"Chlorfenson|Dtxsid5020310","logHenry":-3.514,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.233,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.61,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.008,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.31,"MP.Reference":"EPA-CCD-OPERA","MW":303.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-33-1"}
{"Compound":"Sulfamethoxypyridazine","CAS":"80-35-3","CAS.Checksum":true,"DTXSID":"DTXSID5023611","Formula":"C11H12N4O3S","All.Compound.Names":"Sulfamethoxypyridazine|Dtxsid5023611|80-35-3","logHenry":-9.822,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3222,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.878,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.274,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.5,"MP.Reference":"EPA-CCD-OPERA","MW":280.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-35-3"}
{"Compound":"Fenson","CAS":"80-38-6","CAS.Checksum":true,"DTXSID":"DTXSID6041973","Formula":"C12H9ClO3S","All.Compound.Names":"Fenson|Dtxsid6041973","logHenry":-4.029,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.636,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.779,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.21,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.4,"MP.Reference":"EPA-CCD-OPERA","MW":268.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-38-6"}
{"Compound":"N-ethyl-4-methylbenzenesulfonamide","CAS":"80-39-7","CAS.Checksum":true,"DTXSID":"DTXSID5025310","Formula":"C9H13NO2S","All.Compound.Names":"N-ethyl-4-methylbenzenesulfonamide|Dtxsid5025310|80-39-7","logHenry":-7.021,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.613,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.109,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.902,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.65,"MP.Reference":"EPA-CCD-OPERA","MW":199.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-39-7"}
{"Compound":"Dicumyl peroxide","CAS":"80-43-3","CAS.Checksum":true,"DTXSID":"DTXSID1025017","Formula":"C18H22O2","All.Compound.Names":"Dicumyl peroxide|Dtxsid1025017","logHenry":-4.5,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.5,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.11,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.772,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.88,"MP.Reference":"EPA-CCD-OPERA","MW":270.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-43-3"}
{"Compound":"Methyl toluene-4-sulphonate","CAS":"80-48-8","CAS.Checksum":true,"DTXSID":"DTXSID4052550","Formula":"C8H10O3S","All.Compound.Names":"Methyl toluene-4-sulphonate|Methyl toluene-4-sulfonate|Dtxsid4052550","logHenry":-5.042,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.524,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.485,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.822,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.52,"MP.Reference":"EPA-CCD-OPERA","MW":186.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-48-8"}
{"Compound":"Anisotropine methylbromide","CAS":"80-50-2","CAS.Checksum":true,"DTXSID":"DTXSID8022612","Formula":"C17H32BrNO2","All.Compound.Names":"Anisotropine methylbromide|80-50-2|Dtxsid8022612","logHenry":-5.196,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.024,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.437,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.625,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.8,"MP.Reference":"EPA-CCD-OPERA","MW":362.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.175,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"80-50-2"}
{"Compound":"Benzenesulfonic acid, 4,4'-oxybis-, dihydrazide","CAS":"80-51-3","CAS.Checksum":true,"DTXSID":"DTXSID7026499","Formula":"C12H14N4O5S2","All.Compound.Names":"Benzenesulfonic acid, 4,4'-oxybis-, dihydrazide|4,4'-oxybis(benzenesulfohydrazide)|Dtxsid7026499|80-51-3","logHenry":-9.748,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.967,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.417,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.954,"logWSol.Reference":"EPA-CCD-OPERA","MP":231.4,"MP.Reference":"EPA-CCD-OPERA","MW":358.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-51-3"}
{"Compound":"1,8-diamino-p-menthane","CAS":"80-52-4","CAS.Checksum":true,"DTXSID":"DTXSID3021772","Formula":"C10H22N2","All.Compound.Names":"1,8-diamino-p-menthane|Dtxsid3021772|80-52-4","logHenry":-9.06,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.099,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.741,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.292,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.76,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-52-4"}
{"Compound":"Terpin","CAS":"80-53-5","CAS.Checksum":true,"DTXSID":"DTXSID7023643","Formula":"C10H20O2","All.Compound.Names":"Terpin|Dtxsid7023643|80-53-5","logHenry":-8.526,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.751,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.096,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.684,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.3,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-53-5"}
{"Compound":"3-(4-tert-butylphenyl)-2-methylpropanal","CAS":"80-54-6","CAS.Checksum":true,"DTXSID":"DTXSID9026500","Formula":"C14H20O","All.Compound.Names":"3-(4-tert-butylphenyl)-2-methylpropanal|2-(4-tert-butylbenzyl)propionaldehyde|Dtxsid9026500","logHenry":-3.539,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.942,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.961,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.654,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.52,"MP.Reference":"EPA-CCD-OPERA","MW":204.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-54-6"}
{"Compound":"Alpha-pinene","CAS":"80-56-8","CAS.Checksum":true,"DTXSID":"DTXSID4026501","Formula":"C10H16","All.Compound.Names":"Alpha-pinene|Dtxsid4026501","logHenry":-0.8746,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.826,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3811,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.734,"logWSol.Reference":"EPA-CCD-OPERA","MP":-59.62,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-56-8"}
{"Compound":"Methyl methacrylate","CAS":"80-62-6","CAS.Checksum":true,"DTXSID":"DTXSID2020844","Formula":"C5H8O2","All.Compound.Names":"Methyl methacrylate|Dtxsid2020844","logHenry":-4.007,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.377,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.766,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8089,"logWSol.Reference":"EPA-CCD-OPERA","MP":-50.7,"MP.Reference":"EPA-CCD-OPERA","MW":100.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-62-6"}
{"Compound":"Sulfisoxazole acetal","CAS":"80-74-0","CAS.Checksum":true,"DTXSID":"DTXSID4023620","Formula":"C13H15N3O4S","All.Compound.Names":"Sulfisoxazole acetal|Dtxsid4023620|80-74-0","logHenry":-10.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7206,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.592,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.5,"MP.Reference":"EPA-CCD-OPERA","MW":309.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-74-0"}
{"Compound":"Chlormezanone","CAS":"80-77-3","CAS.Checksum":true,"DTXSID":"DTXSID3022798","Formula":"C11H12ClNO3S","All.Compound.Names":"Chlormezanone|80-77-3|Dtxsid3022798","logHenry":-7.464,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.507,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.357,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.043,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.2,"MP.Reference":"EPA-CCD-OPERA","MW":273.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"80-77-3"}
{"Compound":"Pregnandiol","CAS":"80-92-2","CAS.Checksum":true,"DTXSID":"DTXSID6046218","Formula":"C21H36O2","All.Compound.Names":"Pregnandiol|Dtxsid6046218|80-92-2","logHenry":-9.42,"logHenry.Reference":"OPERA29","logP":3.68,"logP.Reference":"OPERA29","logWSol":-3.9,"logWSol.Reference":"OPERA29","MP":243,"MP.Reference":"OPERA29","MW":320.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80-92-2"}
{"Compound":"Chloracizine","CAS":"800-22-6","CAS.Checksum":true,"DTXSID":"DTXSID6046183","Formula":"C19H21ClN2OS","All.Compound.Names":"Chloracizine|Dtxsid6046183|800-22-6","logHenry":-8.034,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.125,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.459,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.963,"logWSol.Reference":"EPA-CCD-OPERA","MP":105,"MP.Reference":"EPA-CCD-OPERA","MW":360.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"800-22-6"}
{"Compound":"Clove leaf oil","CAS":"8000-34-8","CAS.Checksum":true,"DTXSID":"DTXSID8044175","All.Compound.Names":"Clove leaf oil","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8000-34-8"}
{"Compound":"Terpineol","CAS":"8000-41-7","CAS.Checksum":true,"DTXSID":"DTXSID8040775","All.Compound.Names":"Terpineol","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8000-41-7"}
{"Compound":"Toxaphene","CAS":"8001-35-2","CAS.Checksum":true,"DTXSID":"DTXSID7021368","All.Compound.Names":"Toxaphene","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8001-35-2"}
{"Compound":"Strobane","CAS":"8001-50-1","CAS.Checksum":true,"DTXSID":"DTXSID7021283","All.Compound.Names":"Strobane","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8001-50-1"}
{"Compound":"Benzalkonium chloride","CAS":"8001-54-5","CAS.Checksum":true,"DTXSID":"DTXSID9034317","All.Compound.Names":"Benzalkonium chloride","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8001-54-5"}
{"Compound":"Castor oil","CAS":"8001-79-4","CAS.Checksum":true,"DTXSID":"DTXSID7024742","All.Compound.Names":"Castor oil","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8001-79-4"}
{"Compound":"D&c yellow 11","CAS":"8003-22-3","CAS.Checksum":true,"DTXSID":"DTXSID7024906","All.Compound.Names":"D&c yellow 11|D & c yellow 11","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8003-22-3"}
{"Compound":"Pyrethrins","CAS":"8003-34-7","CAS.Checksum":true,"DTXSID":"DTXSID8034873","All.Compound.Names":"Pyrethrins","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8003-34-7"}
{"Compound":"Methyl violet","CAS":"8004-87-3","CAS.Checksum":true,"DTXSID":"DTXSID8046666","All.Compound.Names":"Methyl violet|C.i. basic violet 1","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8004-87-3"}
{"Compound":"C.i. acid yellow 3 disodium salt","CAS":"8004-92-0","CAS.Checksum":true,"DTXSID":"DTXSID0041721","All.Compound.Names":"C.i. acid yellow 3 disodium salt","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8004-92-0"}
{"Compound":"Peppermint oil","CAS":"8006-90-4","CAS.Checksum":true,"DTXSID":"DTXSID6021113","All.Compound.Names":"Peppermint oil","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8006-90-4"}
{"Compound":"Anise oil","CAS":"8007-70-3","CAS.Checksum":true,"DTXSID":"DTXSID3024528","All.Compound.Names":"Anise oil","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8007-70-3"}
{"Compound":"Lime oil","CAS":"8008-26-2","CAS.Checksum":true,"DTXSID":"DTXSID2031532","All.Compound.Names":"Lime oil","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8008-26-2"}
{"Compound":"Nutmeg oil","CAS":"8008-45-5","CAS.Checksum":true,"DTXSID":"DTXSID8044177","All.Compound.Names":"Nutmeg oil","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8008-45-5"}
{"Compound":"Petitgrain oil","CAS":"8014-17-3","CAS.Checksum":true,"DTXSID":"DTXSID2047721","All.Compound.Names":"Petitgrain oil","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8014-17-3"}
{"Compound":"Aloin","CAS":"8015-61-0","CAS.Checksum":true,"DTXSID":"DTXSID6048755","All.Compound.Names":"Aloin","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8015-61-0"}
{"Compound":"Mancozeb","CAS":"8018-01-7","CAS.Checksum":true,"DTXSID":"DTXSID0034695","Formula":"C8H12MnN4S8Zn","All.Compound.Names":"Mancozeb","MW":541,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8018-01-7"}
{"Compound":"Creosote, wood","CAS":"8021-39-4","CAS.Checksum":true,"DTXSID":"DTXSID9024853","All.Compound.Names":"Creosote, wood","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8021-39-4"}
{"Compound":"Roxithromycin","CAS":"80214-83-1","CAS.Checksum":true,"DTXSID":"DTXSID8041117","Formula":"C41H76N2O15","All.Compound.Names":"Roxithromycin|80214-83-1|Dtxsid8041117","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.925,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.62,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.583,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.2,"MP.Reference":"EPA-CCD-OPERA","MW":837.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"80214-83-1"}
{"Compound":"(-)-enterodiol","CAS":"80226-00-2","CAS.Checksum":true,"DTXSID":"DTXSID0047876","Formula":"C18H22O4","All.Compound.Names":"(-)-enterodiol|Dtxsid0047876|80226-00-2","logHenry":-8.881,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.615,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.789,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.993,"logWSol.Reference":"EPA-CCD-OPERA","MP":251.1,"MP.Reference":"EPA-CCD-OPERA","MW":302.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"7.7,3.42,17.3","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"80226-00-2"}
{"Compound":"Casanthrol","CAS":"8024-48-4","CAS.Checksum":true,"DTXSID":"DTXSID7024740","All.Compound.Names":"Casanthrol","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8024-48-4"}
{"Compound":"Orange terpenes","CAS":"8028-48-6","CAS.Checksum":true,"DTXSID":"DTXSID1047730","All.Compound.Names":"Orange terpenes","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8028-48-6"}
{"Compound":"Furafylline","CAS":"80288-49-9","CAS.Checksum":true,"DTXSID":"DTXSID2045153","Formula":"C12H12N4O3","All.Compound.Names":"Furafylline|3-furfuryl-1,8-dimethylxanthine|Dtxsid2045153|80288-49-9","logHenry":-7.996,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3227,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.17,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.433,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.7,"MP.Reference":"EPA-CCD-OPERA","MW":260.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80288-49-9"}
{"Compound":"Ceftiofur","CAS":"80370-57-6","CAS.Checksum":true,"DTXSID":"DTXSID7046702","Formula":"C19H17N5O7S3","All.Compound.Names":"Ceftiofur|Dtxsid7046702|80370-57-6","logHenry":-10.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.01467,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.523,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.358,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.8,"MP.Reference":"EPA-CCD-OPERA","MW":523.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80370-57-6"}
{"Compound":"Fursultiamine","CAS":"804-30-8","CAS.Checksum":true,"DTXSID":"DTXSID0023084","Formula":"C17H26N4O3S2","All.Compound.Names":"Fursultiamine|Dtxsid0023084|804-30-8","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.26,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.365,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.019,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.8,"MP.Reference":"EPA-CCD-OPERA","MW":398.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"804-30-8"}
{"Compound":"Nitrovin","CAS":"804-36-4","CAS.Checksum":true,"DTXSID":"DTXSID8046903","Formula":"C14H12N6O6","All.Compound.Names":"Nitrovin|Dtxsid8046903|804-36-4","logHenry":-8.178,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.957,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.078,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.45,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.7,"MP.Reference":"EPA-CCD-OPERA","MW":360.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"804-36-4"}
{"Compound":"Oxirane, 2-[2-(4-chlorophenyl)ethyl]-2-(1,1-dimethylethyl)-","CAS":"80443-63-6","CAS.Checksum":true,"DTXSID":"DTXSID5042247","Formula":"C14H19ClO","All.Compound.Names":"Oxirane, 2-[2-(4-chlorophenyl)ethyl]-2-(1,1-dimethylethyl)-|2-(2-(4-chlorophenyl)ethyl)-2-(1,1-dimethylethyl)oxirane|Dtxsid5042247","logHenry":-3.474,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.983,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.462,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.565,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.38,"MP.Reference":"EPA-CCD-OPERA","MW":238.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80443-63-6"}
{"Compound":"Styrax balsam","CAS":"8046-19-3","CAS.Checksum":true,"DTXSID":"DTXSID4026054","All.Compound.Names":"Styrax balsam","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8046-19-3"}
{"Compound":"Stoddard solvent","CAS":"8052-41-3","CAS.Checksum":true,"DTXSID":"DTXSID9026051","All.Compound.Names":"Stoddard solvent","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8052-41-3"}
{"Compound":"Balsalazide","CAS":"80573-04-2","CAS.Checksum":true,"DTXSID":"DTXSID7040653","Formula":"C17H15N3O6","All.Compound.Names":"Balsalazide|80573-04-2|Dtxsid7040653","logHenry":-10.24,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1047,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.518,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.206,"logWSol.Reference":"EPA-CCD-OPERA","MP":199,"MP.Reference":"EPA-CCD-OPERA","MW":357.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"80573-04-2"}
{"Compound":"Rifaximin","CAS":"80621-81-4","CAS.Checksum":true,"DTXSID":"DTXSID7045998","Formula":"C43H51N3O11","All.Compound.Names":"Rifaximin|80621-81-4|Dtxsid7045998","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.145,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.426,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.093,"logWSol.Reference":"EPA-CCD-OPERA","MP":221.3,"MP.Reference":"EPA-CCD-OPERA","MW":785.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"80621-81-4"}
{"Compound":"Demeton","CAS":"8065-48-3","CAS.Checksum":true,"DTXSID":"DTXSID5022306","Formula":"C16H38O6P2S4","All.Compound.Names":"Demeton","MW":516.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8065-48-3"}
{"Compound":"Hydergine","CAS":"8067-24-1","CAS.Checksum":true,"DTXSID":"DTXSID5031428","All.Compound.Names":"Hydergine|Dihydroergotoxine mesylate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"8067-24-1"}
{"Compound":"Lenampicillin hydrochloride","CAS":"80734-02-7","CAS.Checksum":true,"DTXSID":"DTXSID0057835","Formula":"C21H24ClN3O7S","All.Compound.Names":"Lenampicillin hydrochloride|Dtxsid0057835|80734-02-7","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.08961,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.602,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.059,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.4,"MP.Reference":"EPA-CCD-OPERA","MW":498,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80734-02-7"}
{"Compound":"Sancycline","CAS":"808-26-4","CAS.Checksum":true,"DTXSID":"DTXSID5057836","Formula":"C21H22N2O7","All.Compound.Names":"Sancycline|Dtxsid5057836|808-26-4","logHenry":-11.26,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.316,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.706,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.045,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.8,"MP.Reference":"EPA-CCD-OPERA","MW":414.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"808-26-4"}
{"Compound":"Desoxycorticosterone pivalate","CAS":"808-48-0","CAS.Checksum":true,"DTXSID":"DTXSID8046036","Formula":"C26H38O4","All.Compound.Names":"Desoxycorticosterone pivalate|Dtxsid8046036","logHenry":-6.601,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.693,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.006,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.053,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.9,"MP.Reference":"EPA-CCD-OPERA","MW":414.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"808-48-0"}
{"Compound":"Docebenone","CAS":"80809-81-0","CAS.Checksum":true,"DTXSID":"DTXSID0045125","Formula":"C21H26O3","All.Compound.Names":"Docebenone|Dtxsid0045125|80809-81-0","logHenry":-5.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.497,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.392,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.367,"logWSol.Reference":"EPA-CCD-OPERA","MP":99.79,"MP.Reference":"EPA-CCD-OPERA","MW":326.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80809-81-0"}
{"Compound":"Etofenprox","CAS":"80844-07-1","CAS.Checksum":true,"DTXSID":"DTXSID9032610","Formula":"C25H28O3","All.Compound.Names":"Etofenprox|Dtxsid9032610","logHenry":-5.662,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.049,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.666,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.241,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.17,"MP.Reference":"EPA-CCD-OPERA","MW":376.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80844-07-1"}
{"Compound":"Emiglitate","CAS":"80879-63-6","CAS.Checksum":true,"DTXSID":"DTXSID2048799","Formula":"C17H25NO7","All.Compound.Names":"Emiglitate|Dtxsid2048799|80879-63-6","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1087,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.516,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.079,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.1,"MP.Reference":"EPA-CCD-OPERA","MW":355.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80879-63-6"}
{"Compound":"Telenzepine","CAS":"80880-90-6","CAS.Checksum":true,"DTXSID":"DTXSID5045209","Formula":"C19H22N4O2S","All.Compound.Names":"Telenzepine|80880-90-6|Dtxsid5045209","logHenry":-11.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.947,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.383,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.631,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.5,"MP.Reference":"EPA-CCD-OPERA","MW":370.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.18","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.54,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"80880-90-6"}
{"Compound":"Saccharin","CAS":"81-07-2","CAS.Checksum":true,"DTXSID":"DTXSID5021251","Formula":"C7H5NO3S","All.Compound.Names":"Saccharin|O-sulfobenzimide|81-07-2|Dtxsid5021251","logHenry":-8.649,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9093,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.863,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.668,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.1,"MP.Reference":"EPA-CCD-OPERA","MW":183.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.917","Human.Clint.Reference":"Paini 2020","Human.Foral":0.84,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.2258,0.1939,0.2577","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"81-07-2"}
{"Compound":"4,4'-diamino-2,2'-stilbenedisulfonic acid","CAS":"81-11-8","CAS.Checksum":true,"DTXSID":"DTXSID5024926","Formula":"C14H14N2O6S2","All.Compound.Names":"4,4'-diamino-2,2'-stilbenedisulfonic acid|Dtxsid5024926|81-11-8","logHenry":-9.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.697,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.12,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.132,"logWSol.Reference":"EPA-CCD-OPERA","MP":223.3,"MP.Reference":"EPA-CCD-OPERA","MW":370.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81-11-8"}
{"Compound":"Dexpanthenol","CAS":"81-13-0","CAS.Checksum":true,"DTXSID":"DTXSID3022906","Formula":"C9H19NO4","All.Compound.Names":"Dexpanthenol|Dtxsid3022906|81-13-0","logHenry":-7.944,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.188,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.593,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6863,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.7,"MP.Reference":"EPA-CCD-OPERA","MW":205.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.91","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81-13-0"}
{"Compound":"Musk ketone","CAS":"81-14-1","CAS.Checksum":true,"DTXSID":"DTXSID6025690","Formula":"C14H18N2O5","All.Compound.Names":"Musk ketone|Dtxsid6025690|81-14-1","logHenry":-7.942,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.299,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.345,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.189,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.3,"MP.Reference":"EPA-CCD-OPERA","MW":294.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81-14-1"}
{"Compound":"2,4,6-trinitro-1,3-dimethyl-5-tert-butylbenzene","CAS":"81-15-2","CAS.Checksum":true,"DTXSID":"DTXSID1021405","Formula":"C12H15N3O6","All.Compound.Names":"2,4,6-trinitro-1,3-dimethyl-5-tert-butylbenzene|Musk xylene|Dtxsid1021405","logHenry":-5.816,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.849,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.562,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.665,"logWSol.Reference":"EPA-CCD-OPERA","MP":110,"MP.Reference":"EPA-CCD-OPERA","MW":297.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81-15-2"}
{"Compound":"2-amino-1-naphthalenesulfonic acid","CAS":"81-16-3","CAS.Checksum":true,"DTXSID":"DTXSID7020922","Formula":"C10H9NO3S","All.Compound.Names":"2-amino-1-naphthalenesulfonic acid|Dtxsid7020922|81-16-3","logHenry":-8.564,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.154,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.53,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.559,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.1,"MP.Reference":"EPA-CCD-OPERA","MW":223.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81-16-3"}
{"Compound":"1,3-dimethyl-2-nitrobenzene","CAS":"81-20-9","CAS.Checksum":true,"DTXSID":"DTXSID7025134","Formula":"C8H9NO2","All.Compound.Names":"1,3-dimethyl-2-nitrobenzene|Dtxsid7025134","logHenry":-4.979,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.949,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.636,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.317,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.56,"MP.Reference":"EPA-CCD-OPERA","MW":151.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81-20-9"}
{"Compound":"Dicyclopentadiene dioxide","CAS":"81-21-0","CAS.Checksum":true,"DTXSID":"DTXSID4020452","Formula":"C10H12O2","All.Compound.Names":"Dicyclopentadiene dioxide|Dtxsid4020452","logHenry":-4.417,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.931,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.252,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8446,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.1,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81-21-0"}
{"Compound":"Dehydrocholic acid","CAS":"81-23-2","CAS.Checksum":true,"DTXSID":"DTXSID2022888","Formula":"C24H34O5","All.Compound.Names":"Dehydrocholic acid|Dtxsid2022888|81-23-2","logHenry":-7.56,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.096,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.239,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.206,"logWSol.Reference":"EPA-CCD-OPERA","MP":237,"MP.Reference":"EPA-CCD-OPERA","MW":402.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81-23-2"}
{"Compound":"Sennoside a","CAS":"81-27-6","CAS.Checksum":true,"DTXSID":"DTXSID1023576","Formula":"C42H38O20","All.Compound.Names":"Sennoside a|Dtxsid1023576|81-27-6","logHenry":-10.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.132,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.488,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":219,"MP.Reference":"EPA-CCD-OPERA","MW":862.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.48","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81-27-6"}
{"Compound":"Naphthalene-1,8:4,5-tetracarboxylic dianhydride","CAS":"81-30-1","CAS.Checksum":true,"DTXSID":"DTXSID4052554","Formula":"C14H4O6","All.Compound.Names":"Naphthalene-1,8:4,5-tetracarboxylic dianhydride|Naphthalenetetracarboxylic dianhydride|Dtxsid4052554","logHenry":-8.751,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.66,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.07,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.827,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.7,"MP.Reference":"EPA-CCD-OPERA","MW":268.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81-30-1"}
{"Compound":"D&c violet 2","CAS":"81-48-1","CAS.Checksum":true,"DTXSID":"DTXSID1026293","Formula":"C21H15NO3","All.Compound.Names":"D&c violet 2|Dtxsid1026293|81-48-1","logHenry":-9.902,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.76,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.803,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.894,"logWSol.Reference":"EPA-CCD-OPERA","MP":220.2,"MP.Reference":"EPA-CCD-OPERA","MW":329.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81-48-1"}
{"Compound":"1-amino-2,4-dibromoanthraquinone","CAS":"81-49-2","CAS.Checksum":true,"DTXSID":"DTXSID4039235","Formula":"C14H7Br2NO2","All.Compound.Names":"1-amino-2,4-dibromoanthraquinone|Dtxsid4039235|81-49-2","logHenry":-8.693,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.574,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.945,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.888,"logWSol.Reference":"EPA-CCD-OPERA","MP":221.1,"MP.Reference":"EPA-CCD-OPERA","MW":381,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81-49-2"}
{"Compound":"Purpurin","CAS":"81-54-9","CAS.Checksum":true,"DTXSID":"DTXSID4021214","Formula":"C14H8O5","All.Compound.Names":"Purpurin|Dtxsid4021214|81-54-9","logHenry":-8.687,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.541,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.689,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.602,"logWSol.Reference":"EPA-CCD-OPERA","MP":259.1,"MP.Reference":"EPA-CCD-OPERA","MW":256.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81-54-9"}
{"Compound":"1,8-dihydroxy-4,5-dinitroanthraquinone","CAS":"81-55-0","CAS.Checksum":true,"DTXSID":"DTXSID0025076","Formula":"C14H6N2O8","All.Compound.Names":"1,8-dihydroxy-4,5-dinitroanthraquinone|Dtxsid0025076|81-55-0","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.373,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.95,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.411,"logWSol.Reference":"EPA-CCD-OPERA","MP":237.3,"MP.Reference":"EPA-CCD-OPERA","MW":330.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81-55-0"}
{"Compound":"1,4-dihydroxyanthracene-9,10-dione","CAS":"81-64-1","CAS.Checksum":true,"DTXSID":"DTXSID8044464","Formula":"C14H8O4","All.Compound.Names":"1,4-dihydroxyanthracene-9,10-dione|Dtxsid8044464|81-64-1","logHenry":-9.698,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.029,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.023,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.392,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.5,"MP.Reference":"EPA-CCD-OPERA","MW":240.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81-64-1"}
{"Compound":"Coumachlor","CAS":"81-82-3","CAS.Checksum":true,"DTXSID":"DTXSID8041797","Formula":"C19H15ClO4","All.Compound.Names":"Coumachlor|Dtxsid8041797","logHenry":-8.199,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.641,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.116,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.596,"logWSol.Reference":"EPA-CCD-OPERA","MP":169,"MP.Reference":"EPA-CCD-OPERA","MW":342.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81-82-3"}
{"Compound":"1h-benzo[de]isoquinoline-1,3(2h)-dione","CAS":"81-83-4","CAS.Checksum":true,"DTXSID":"DTXSID0044731","Formula":"C12H7NO2","All.Compound.Names":"1h-benzo[de]isoquinoline-1,3(2h)-dione|Dtxsid0044731|81-83-4","logHenry":-8.712,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.959,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.68,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.065,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.7,"MP.Reference":"EPA-CCD-OPERA","MW":197.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81-83-4"}
{"Compound":"1h,3h-naphtho(1,8-cd)pyran-1,3-dione","CAS":"81-84-5","CAS.Checksum":true,"DTXSID":"DTXSID4026505","Formula":"C12H6O3","All.Compound.Names":"1h,3h-naphtho(1,8-cd)pyran-1,3-dione|Dtxsid4026505","logHenry":-5.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6754,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.667,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.598,"logWSol.Reference":"EPA-CCD-OPERA","MP":269.6,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81-84-5"}
{"Compound":"Rhodamine b","CAS":"81-88-9","CAS.Checksum":true,"DTXSID":"DTXSID6042369","Formula":"C28H31ClN2O3","All.Compound.Names":"Rhodamine b|81-88-9","logHenry":-7.561,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.949,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.275,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.778,"logWSol.Reference":"EPA-CCD-OPERA","MP":165,"MP.Reference":"EPA-CCD-OPERA","MW":479,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.36","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81-88-9"}
{"Compound":"D-lactitol monohydrate","CAS":"81025-04-9","CAS.Checksum":true,"DTXSID":"DTXSID6047028","Formula":"C12H26O12","All.Compound.Names":"D-lactitol monohydrate|Dtxsid6047028|81025-04-9","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.733,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.32,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6783,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.7,"MP.Reference":"EPA-CCD-OPERA","MW":362.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81025-04-9"}
{"Compound":"Racecadotril","CAS":"81110-73-8","CAS.Checksum":true,"DTXSID":"DTXSID8045513","Formula":"C21H23NO4S","All.Compound.Names":"Racecadotril|Dtxsid8045513|81110-73-8","logHenry":-11.52,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.614,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.68,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.032,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.6,"MP.Reference":"EPA-CCD-OPERA","MW":385.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81110-73-8"}
{"Compound":"Cilastatin sodium","CAS":"81129-83-1","CAS.Checksum":true,"DTXSID":"DTXSID2046915","Formula":"C16H25N2NaO5S","All.Compound.Names":"Cilastatin sodium|Dtxsid2046915|81129-83-1","logHenry":-9.304,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.38,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.68,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.076,"logWSol.Reference":"EPA-CCD-OPERA","MP":208.5,"MP.Reference":"EPA-CCD-OPERA","MW":380.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.64","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81129-83-1"}
{"Compound":"Esmolol hydrochloride","CAS":"81161-17-3","CAS.Checksum":true,"DTXSID":"DTXSID7049003","Formula":"C16H26ClNO4","All.Compound.Names":"Esmolol hydrochloride|Dtxsid7049003|81161-17-3","logHenry":-9.642,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4763,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.538,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.971,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.7,"MP.Reference":"EPA-CCD-OPERA","MW":331.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.78","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81161-17-3"}
{"Compound":"Imiloxan","CAS":"81167-16-0","CAS.Checksum":true,"DTXSID":"DTXSID1045162","Formula":"C14H16N2O2","All.Compound.Names":"Imiloxan|Dtxsid1045162|81167-16-0","logHenry":-5.792,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.31,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.534,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.718,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.1,"MP.Reference":"EPA-CCD-OPERA","MW":244.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81167-16-0"}
{"Compound":"Dimethyl phosphate","CAS":"813-78-5","CAS.Checksum":true,"DTXSID":"DTXSID5025150","Formula":"C2H7O4P","All.Compound.Names":"Dimethyl phosphate|Dtxsid5025150|813-78-5","logHenry":-6.578,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9024,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.936,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1256,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.97,"MP.Reference":"EPA-CCD-OPERA","MW":126,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"813-78-5"}
{"Compound":"Calcium lactate","CAS":"814-80-2","CAS.Checksum":true,"DTXSID":"DTXSID0020236","Formula":"C6H10CaO6","All.Compound.Names":"Calcium lactate|Dtxsid0020236|814-80-2","logHenry":-8.049,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.515,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.236,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5083,"logWSol.Reference":"EPA-CCD-OPERA","MP":234.4,"MP.Reference":"EPA-CCD-OPERA","MW":218.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"814-80-2"}
{"Compound":"Alfuzosin hydrochloride","CAS":"81403-68-1","CAS.Checksum":true,"DTXSID":"DTXSID3045514","Formula":"C19H28ClN5O4","All.Compound.Names":"Alfuzosin hydrochloride|Dtxsid3045514|81403-68-1","logHenry":-10.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4345,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.196,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.679,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.7,"MP.Reference":"EPA-CCD-OPERA","MW":425.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81403-68-1"}
{"Compound":"Cabergoline","CAS":"81409-90-7","CAS.Checksum":true,"DTXSID":"DTXSID6022719","Formula":"C26H37N5O2","All.Compound.Names":"Cabergoline|81409-90-7|Dtxsid6022719","logHenry":-10.23,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.027,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.672,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.824,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.6,"MP.Reference":"EPA-CCD-OPERA","MW":451.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.65,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"81409-90-7"}
{"Compound":"Artenimol","CAS":"81496-81-3","CAS.Checksum":true,"DTXSID":"DTXSID5045962","Formula":"C15H24O5","All.Compound.Names":"Artenimol|Alpha-dihydroartemisinin|Dtxsid5045962|81496-81-3","logHenry":-8.9,"logHenry.Reference":"OPERA29","logP":2.19,"logP.Reference":"OPERA29","logWSol":-2.39,"logWSol.Reference":"OPERA29","MP":153,"MP.Reference":"OPERA29","MW":284.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81496-81-3"}
{"Compound":"Butanoic acid, 3,3-dimethyl-2-oxo-","CAS":"815-17-8","CAS.Checksum":true,"DTXSID":"DTXSID9027314","Formula":"C6H10O3","All.Compound.Names":"Butanoic acid, 3,3-dimethyl-2-oxo-|3,3-dimethyl-2-oxobutyric acid|Dtxsid9027314|815-17-8","logHenry":-7.015,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9146,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.894,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4396,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.01,"MP.Reference":"EPA-CCD-OPERA","MW":130.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"815-17-8"}
{"Compound":"Sodium 3, 4-dimethylphenyl-glyoxylate","CAS":"81632-85-1","CAS.Checksum":true,"DTXSID":"DTXSID0057837","Formula":"C10H9NaO3","All.Compound.Names":"Sodium 3, 4-dimethylphenyl-glyoxylate|Dtxsid0057837|81632-85-1","logHenry":-7.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9207,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.299,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.28,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.2,"MP.Reference":"EPA-CCD-OPERA","MW":200.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81632-85-1"}
{"Compound":"Bambuterol hydrochloride","CAS":"81732-46-9","CAS.Checksum":true,"DTXSID":"DTXSID8045515","Formula":"C18H30ClN3O5","All.Compound.Names":"Bambuterol hydrochloride|Dtxsid8045515|81732-46-9","logHenry":-10.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4077,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.98,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.177,"logWSol.Reference":"EPA-CCD-OPERA","MP":142,"MP.Reference":"EPA-CCD-OPERA","MW":403.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81732-46-9"}
{"Compound":"Tributyltetradecylphosphonium dodecylbenzenesulfonate","CAS":"817629-57-5","CAS.Checksum":true,"DTXSID":"DTXSID2049391","Formula":"C44H85O3PS","All.Compound.Names":"Tributyltetradecylphosphonium dodecylbenzenesulfonate","MW":725.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"817629-57-5"}
{"Compound":"2-hydroxyethyl acrylate","CAS":"818-61-1","CAS.Checksum":true,"DTXSID":"DTXSID2022123","Formula":"C5H8O3","All.Compound.Names":"2-hydroxyethyl acrylate|Dtxsid2022123|818-61-1","logHenry":-6.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2087,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.81,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9333,"logWSol.Reference":"EPA-CCD-OPERA","MP":-26.66,"MP.Reference":"EPA-CCD-OPERA","MW":116.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"818-61-1"}
{"Compound":"1-octyn-3-ol","CAS":"818-72-4","CAS.Checksum":true,"DTXSID":"DTXSID7022124","Formula":"C8H14O","All.Compound.Names":"1-octyn-3-ol|Dtxsid7022124|818-72-4","logHenry":-4.62,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.502,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.397,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.488,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.036,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"818-72-4"}
{"Compound":"Zofenopril","CAS":"81872-10-8","CAS.Checksum":true,"DTXSID":"DTXSID0046640","Formula":"C22H23NO4S2","All.Compound.Names":"Zofenopril|Dtxsid0046640|81872-10-8","logHenry":-9.009,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.398,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.849,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.758,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.4,"MP.Reference":"EPA-CCD-OPERA","MW":429.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81872-10-8"}
{"Compound":"Zofenopril calcium","CAS":"81938-43-4","CAS.Checksum":true,"DTXSID":"DTXSID1048625","Formula":"C44H44CaN2O8S4","All.Compound.Names":"Zofenopril calcium|Dtxsid1048625|81938-43-4","logHenry":-9.009,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1105,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.36,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.758,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.4,"MP.Reference":"EPA-CCD-OPERA","MW":897.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81938-43-4"}
{"Compound":"1-dodecyl-3-methylimidazolium iodide","CAS":"81995-09-7","CAS.Checksum":true,"DTXSID":"DTXSID6049359","Formula":"C16H31IN2","All.Compound.Names":"1-dodecyl-3-methylimidazolium iodide|Dtxsid6049359|81995-09-7","logHenry":-5.592,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9898,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.966,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.408,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.2,"MP.Reference":"EPA-CCD-OPERA","MW":378.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81995-09-7"}
{"Compound":"Khellin","CAS":"82-02-0","CAS.Checksum":true,"DTXSID":"DTXSID9045267","Formula":"C14H12O5","All.Compound.Names":"Khellin|Dtxsid9045267|82-02-0","logHenry":-9.078,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.554,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.398,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.525,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.05,"MP.Reference":"EPA-CCD-OPERA","MW":260.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82-02-0"}
{"Compound":"1-amino-2-methylanthraquinone","CAS":"82-28-0","CAS.Checksum":true,"DTXSID":"DTXSID7020057","Formula":"C15H11NO2","All.Compound.Names":"1-amino-2-methylanthraquinone|Dtxsid7020057|82-28-0","logHenry":-9.672,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.764,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.28,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.853,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.8,"MP.Reference":"EPA-CCD-OPERA","MW":237.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82-28-0"}
{"Compound":"1-chloroanthraquinone","CAS":"82-44-0","CAS.Checksum":true,"DTXSID":"DTXSID7052571","Formula":"C14H7ClO2","All.Compound.Names":"1-chloroanthraquinone|Dtxsid7052571","logHenry":-6.56,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.317,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.531,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.003,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.1,"MP.Reference":"EPA-CCD-OPERA","MW":242.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82-44-0"}
{"Compound":"Diphacinone","CAS":"82-66-6","CAS.Checksum":true,"DTXSID":"DTXSID4032378","Formula":"C23H16O3","All.Compound.Names":"Diphacinone|Dtxsid4032378","logHenry":-7.626,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.27,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.44,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.052,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.5,"MP.Reference":"EPA-CCD-OPERA","MW":340.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82-66-6"}
{"Compound":"Acenaphthenequinone","CAS":"82-86-0","CAS.Checksum":true,"DTXSID":"DTXSID7049429","Formula":"C12H6O2","All.Compound.Names":"Acenaphthenequinone|Dtxsid7049429","logHenry":-5.597,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.951,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.425,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.801,"logWSol.Reference":"EPA-CCD-OPERA","MP":260.2,"MP.Reference":"EPA-CCD-OPERA","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82-86-0"}
{"Compound":"Thiphenamil","CAS":"82-99-5","CAS.Checksum":true,"DTXSID":"DTXSID0023660","Formula":"C20H25NOS","All.Compound.Names":"Thiphenamil|Dtxsid0023660|82-99-5","logHenry":-8.034,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.735,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.528,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.826,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.19,"MP.Reference":"EPA-CCD-OPERA","MW":327.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82-99-5"}
{"Compound":"Loteprednol etabonate","CAS":"82034-46-6","CAS.Checksum":true,"DTXSID":"DTXSID2046468","Formula":"C24H31ClO7","All.Compound.Names":"Loteprednol etabonate|82034-46-6|Dtxsid2046468","logHenry":-10.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.611,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.699,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.605,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.6,"MP.Reference":"EPA-CCD-OPERA","MW":467,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"82034-46-6"}
{"Compound":"(e)-1,4-dibromo-2-butene","CAS":"821-06-7","CAS.Checksum":true,"DTXSID":"DTXSID8024941","Formula":"C4H6Br2","All.Compound.Names":"(e)-1,4-dibromo-2-butene|Dtxsid8024941","logHenry":-2.635,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.685,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.467,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.339,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.61,"MP.Reference":"EPA-CCD-OPERA","MW":213.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"821-06-7"}
{"Compound":"Bis(2-chloroethyl)amine hydrochloride","CAS":"821-48-7","CAS.Checksum":true,"DTXSID":"DTXSID3052567","Formula":"C4H10Cl3N","All.Compound.Names":"Bis(2-chloroethyl)amine hydrochloride|Dtxsid3052567|821-48-7","logHenry":-5.639,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7775,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.708,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8052,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.9,"MP.Reference":"EPA-CCD-OPERA","MW":178.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"821-48-7"}
{"Compound":"2-nonanone","CAS":"821-55-6","CAS.Checksum":true,"DTXSID":"DTXSID2022125","Formula":"C9H18O","All.Compound.Names":"2-nonanone|Dtxsid2022125","logHenry":-3.437,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.141,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.439,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.58,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.117,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"821-55-6"}
{"Compound":"Epalrestat","CAS":"82159-09-9","CAS.Checksum":true,"DTXSID":"DTXSID1046479","Formula":"C15H13NO3S2","All.Compound.Names":"Epalrestat|Dtxsid1046479|82159-09-9","logHenry":-9.91,"logHenry.Reference":"OPERA29","logP":3.19,"logP.Reference":"OPERA29","logWSol":-3.43,"logWSol.Reference":"OPERA29","MP":172,"MP.Reference":"OPERA29","MW":319.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82159-09-9"}
{"Compound":"Adafenoxate","CAS":"82168-26-1","CAS.Checksum":true,"DTXSID":"DTXSID4046280","Formula":"C20H26ClNO3","All.Compound.Names":"Adafenoxate|Dtxsid4046280|82168-26-1","logHenry":-8.805,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.925,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.595,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.842,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.3,"MP.Reference":"EPA-CCD-OPERA","MW":363.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82168-26-1"}
{"Compound":"Lumefantrine","CAS":"82186-77-4","CAS.Checksum":true,"DTXSID":"DTXSID3046663","Formula":"C30H32Cl3NO","All.Compound.Names":"Lumefantrine|Dtxsid3046663|82186-77-4","logHenry":-7.364,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.553,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6225,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.548,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.5,"MP.Reference":"EPA-CCD-OPERA","MW":528.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82186-77-4"}
{"Compound":"1,6-diisocyanatohexane","CAS":"822-06-0","CAS.Checksum":true,"DTXSID":"DTXSID4024143","Formula":"C8H12N2O2","All.Compound.Names":"1,6-diisocyanatohexane|Dtxsid4024143|822-06-0","logHenry":-5.952,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.108,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.507,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.787,"logWSol.Reference":"EPA-CCD-OPERA","MP":-66.81,"MP.Reference":"EPA-CCD-OPERA","MW":168.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"822-06-0"}
{"Compound":"4-methylimidazole","CAS":"822-36-6","CAS.Checksum":true,"DTXSID":"DTXSID9025617","Formula":"C4H6N2","All.Compound.Names":"4-methylimidazole|Dtxsid9025617|822-36-6","logHenry":-6.193,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2294,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.535,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.758,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.42,"MP.Reference":"EPA-CCD-OPERA","MW":82.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"822-36-6"}
{"Compound":"2-chlorocyclohexanone","CAS":"822-87-7","CAS.Checksum":true,"DTXSID":"DTXSID1021530","Formula":"C6H9ClO","All.Compound.Names":"2-chlorocyclohexanone|Dtxsid1021530","logHenry":-4.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.67,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.861,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5796,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.82,"MP.Reference":"EPA-CCD-OPERA","MW":132.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"822-87-7"}
{"Compound":"Atomoxetine hydrochloride","CAS":"82248-59-7","CAS.Checksum":true,"DTXSID":"DTXSID2044266","Formula":"C17H22ClNO","All.Compound.Names":"Atomoxetine hydrochloride|Dtxsid2044266|82248-59-7","logHenry":-5.42,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.645,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.597,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.989,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.7,"MP.Reference":"EPA-CCD-OPERA","MW":291.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"12.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82248-59-7"}
{"Compound":"2,6-toluenediamine","CAS":"823-40-5","CAS.Checksum":true,"DTXSID":"DTXSID4027319","Formula":"C7H10N2","All.Compound.Names":"2,6-toluenediamine|Dtxsid4027319|823-40-5","logHenry":-7.251,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2059,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.653,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5079,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.2,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"823-40-5"}
{"Compound":"Deslorelin acetate","CAS":"82318-06-7","CAS.Checksum":true,"DTXSID":"DTXSID1046683","Formula":"C66H87N17O14","All.Compound.Names":"Deslorelin acetate|Dtxsid1046683|82318-06-7","logHenry":-10.57,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8902,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.753,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.461,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.3,"MP.Reference":"EPA-CCD-OPERA","MW":1343,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82318-06-7"}
{"Compound":"Sodium 2-nitrophenolate","CAS":"824-39-5","CAS.Checksum":true,"DTXSID":"DTXSID5035616","Formula":"C6H4NNaO3","All.Compound.Names":"Sodium 2-nitrophenolate|Dtxsid5035616|824-39-5","logHenry":-4.893,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6815,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.022,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.747,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.49,"MP.Reference":"EPA-CCD-OPERA","MW":161.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"824-39-5"}
{"Compound":"Phenylphosphonic dichloride","CAS":"824-72-6","CAS.Checksum":true,"DTXSID":"DTXSID5044732","Formula":"C6H5Cl2OP","All.Compound.Names":"Phenylphosphonic dichloride|Dtxsid5044732","logHenry":-4.398,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.136,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.771,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.893,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.01,"MP.Reference":"EPA-CCD-OPERA","MW":195,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"824-72-6"}
{"Compound":"Butyryl trihexyl citrate","CAS":"82469-79-2","CAS.Checksum":true,"DTXSID":"DTXSID0047535","Formula":"C28H50O8","All.Compound.Names":"Butyryl trihexyl citrate|Butyryl-n-trihexylcitrate|Dtxsid0047535","logHenry":-7.321,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.717,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.965,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.665,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.32,"MP.Reference":"EPA-CCD-OPERA","MW":514.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82469-79-2"}
{"Compound":"Benzenesulfonic acid, 4-hydroxy-, monosodium salt","CAS":"825-90-1","CAS.Checksum":true,"DTXSID":"DTXSID8027321","Formula":"C6H5NaO4S","All.Compound.Names":"Benzenesulfonic acid, 4-hydroxy-, monosodium salt|Sodium 4-hydroxybenzenesulfonate|Dtxsid8027321|825-90-1","logHenry":-10.41,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.774,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.61,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1633,"logWSol.Reference":"EPA-CCD-OPERA","MP":214,"MP.Reference":"EPA-CCD-OPERA","MW":196.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"825-90-1"}
{"Compound":"Cefteram","CAS":"82547-58-8","CAS.Checksum":true,"DTXSID":"DTXSID7048821","Formula":"C16H17N9O5S2","All.Compound.Names":"Cefteram|Dtxsid7048821|82547-58-8","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6396,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.816,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.931,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.3,"MP.Reference":"EPA-CCD-OPERA","MW":479.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.97","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82547-58-8"}
{"Compound":"Benfuracarb","CAS":"82560-54-1","CAS.Checksum":true,"DTXSID":"DTXSID2041622","Formula":"C20H30N2O5S","All.Compound.Names":"Benfuracarb|Dtxsid2041622|82560-54-1","logHenry":-7.452,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.3,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.215,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.699,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.95,"MP.Reference":"EPA-CCD-OPERA","MW":410.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82560-54-1"}
{"Compound":"Pharmagsid_48513","CAS":"825643-57-0","CAS.Checksum":true,"DTXSID":"DTXSID4048513","Formula":"C30H30F7N3O3","All.Compound.Names":"Pharmagsid_48513|Dtxsid4048513|825643-57-0","logHenry":-8.533,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.903,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.789,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.747,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.6,"MP.Reference":"EPA-CCD-OPERA","MW":613.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"825643-57-0"}
{"Compound":"Moexipril hydrochloride","CAS":"82586-52-5","CAS.Checksum":true,"DTXSID":"DTXSID7044267","Formula":"C27H35ClN2O7","All.Compound.Names":"Moexipril hydrochloride|Dtxsid7044267|82586-52-5","logHenry":-10.95,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.163,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.491,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.319,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.4,"MP.Reference":"EPA-CCD-OPERA","MW":535,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.96","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82586-52-5"}
{"Compound":"Quinapril hydrochloride","CAS":"82586-55-8","CAS.Checksum":true,"DTXSID":"DTXSID3021221","Formula":"C25H31ClN2O5","All.Compound.Names":"Quinapril hydrochloride|Dtxsid3021221|82586-55-8","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.466,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.128,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.019,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.8,"MP.Reference":"EPA-CCD-OPERA","MW":475,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82586-55-8"}
{"Compound":"2,2,6,6-tetramethyl-4-piperidone","CAS":"826-36-8","CAS.Checksum":true,"DTXSID":"DTXSID4041527","Formula":"C9H17NO","All.Compound.Names":"2,2,6,6-tetramethyl-4-piperidone|Dtxsid4041527|826-36-8","logHenry":-6.571,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7071,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.738,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2242,"logWSol.Reference":"EPA-CCD-OPERA","MP":36,"MP.Reference":"EPA-CCD-OPERA","MW":155.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"826-36-8"}
{"Compound":"2-norbornene-5,6-dicarboxylic anhydride","CAS":"826-62-0","CAS.Checksum":true,"DTXSID":"DTXSID0047456","Formula":"C9H8O3","All.Compound.Names":"2-norbornene-5,6-dicarboxylic anhydride|Dtxsid0047456","logHenry":-7.966,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9407,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.774,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.519,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.3,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"826-62-0"}
{"Compound":"Alpidem","CAS":"82626-01-5","CAS.Checksum":true,"DTXSID":"DTXSID8049046","Formula":"C21H23Cl2N3O","All.Compound.Names":"Alpidem|Dtxsid8049046|82626-01-5","logHenry":-6.753,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.166,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.512,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.252,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.6,"MP.Reference":"EPA-CCD-OPERA","MW":404.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82626-01-5"}
{"Compound":"Iofetamine hydrochloride","CAS":"82691-32-5","CAS.Checksum":true,"DTXSID":"DTXSID3045774","Formula":"C12H19ClIN","All.Compound.Names":"Iofetamine hydrochloride|Dtxsid3045774|82691-32-5","logHenry":-5.646,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2633,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.471,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.942,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.6,"MP.Reference":"EPA-CCD-OPERA","MW":339.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82691-32-5"}
{"Compound":"Clofencet-potassium","CAS":"82697-71-0","CAS.Checksum":true,"DTXSID":"DTXSID7034460","Formula":"C13H10ClKN2O3","All.Compound.Names":"Clofencet-potassium|Dtxsid7034460|82697-71-0","logHenry":-7.875,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4919,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.35,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3918,"logWSol.Reference":"EPA-CCD-OPERA","MP":225.9,"MP.Reference":"EPA-CCD-OPERA","MW":316.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.23","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"1.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82697-71-0"}
{"Compound":"Sodium 2,5-dimethylbenzenesulfonate","CAS":"827-19-0","CAS.Checksum":true,"DTXSID":"DTXSID5044578","Formula":"C8H9NaO3S","All.Compound.Names":"Sodium 2,5-dimethylbenzenesulfonate|Dtxsid5044578|827-19-0","logHenry":-7.871,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.283,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.67,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1014,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.89,"MP.Reference":"EPA-CCD-OPERA","MW":208.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"827-19-0"}
{"Compound":"Benzenesulfonic acid, 2,4-dimethyl-, sodium salt","CAS":"827-21-4","CAS.Checksum":true,"DTXSID":"DTXSID1041639","Formula":"C8H9NaO3S","All.Compound.Names":"Benzenesulfonic acid, 2,4-dimethyl-, sodium salt|Sodium m-xylene-4-sulfonate|Dtxsid1041639|827-21-4","logHenry":-7.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.282,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.67,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1024,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.91,"MP.Reference":"EPA-CCD-OPERA","MW":208.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"827-21-4"}
{"Compound":"Aceclidine","CAS":"827-61-2","CAS.Checksum":true,"DTXSID":"DTXSID2045658","Formula":"C9H15NO2","All.Compound.Names":"Aceclidine|Dtxsid2045658|827-61-2","logHenry":-5.329,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7026,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.352,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.04357,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.1,"MP.Reference":"EPA-CCD-OPERA","MW":169.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"827-61-2"}
{"Compound":"2,6-dibromo-4-nitroaniline","CAS":"827-94-1","CAS.Checksum":true,"DTXSID":"DTXSID7052573","Formula":"C6H4Br2N2O2","All.Compound.Names":"2,6-dibromo-4-nitroaniline|Dtxsid7052573|827-94-1","logHenry":-8.603,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.879,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.373,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.651,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.8,"MP.Reference":"EPA-CCD-OPERA","MW":295.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-1.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"827-94-1"}
{"Compound":"Sodium 3-nitrobenzoate","CAS":"827-95-2","CAS.Checksum":true,"DTXSID":"DTXSID0044733","Formula":"C7H4NNaO4","All.Compound.Names":"Sodium 3-nitrobenzoate|Dtxsid0044733|827-95-2","logHenry":-8.231,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.507,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.075,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.674,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.8,"MP.Reference":"EPA-CCD-OPERA","MW":189.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"827-95-2"}
{"Compound":"Choline bis(trifluoromethylsulfonyl)imde","CAS":"827027-25-8","CAS.Checksum":true,"DTXSID":"DTXSID3047922","Formula":"C7H14F6N2O5S2","All.Compound.Names":"Choline bis(trifluoromethylsulfonyl)imde|Dtxsid3047922|827027-25-8","logHenry":-4.505,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5494,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.495,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8503,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.6,"MP.Reference":"EPA-CCD-OPERA","MW":384.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"827027-25-8"}
{"Compound":"Nefazodone hydrochloride","CAS":"82752-99-6","CAS.Checksum":true,"DTXSID":"DTXSID8046088","Formula":"C25H33Cl2N5O2","All.Compound.Names":"Nefazodone hydrochloride|Dtxsid8046088|82752-99-6","logHenry":-7.272,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.528,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.488,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.8,"MP.Reference":"EPA-CCD-OPERA","MW":506.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82752-99-6"}
{"Compound":"Trithioacetone","CAS":"828-26-2","CAS.Checksum":true,"DTXSID":"DTXSID2047723","Formula":"C9H18S3","All.Compound.Names":"Trithioacetone|Dtxsid2047723","logHenry":-3.324,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.547,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.699,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.117,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.9,"MP.Reference":"EPA-CCD-OPERA","MW":222.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"828-26-2"}
{"Compound":"Perindopril","CAS":"82834-16-0","CAS.Checksum":true,"DTXSID":"DTXSID6023440","Formula":"C19H32N2O5","All.Compound.Names":"Perindopril|82834-16-0|Dtxsid6023440","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3254,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.683,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.377,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.4,"MP.Reference":"EPA-CCD-OPERA","MW":368.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.4","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.25,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"82834-16-0"}
{"Compound":"Echinacoside","CAS":"82854-37-3","CAS.Checksum":true,"DTXSID":"DTXSID0033469","Formula":"C35H46O20","All.Compound.Names":"Echinacoside|Dtxsid0033469|82854-37-3","logHenry":-10.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.244,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.86,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9757,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.7,"MP.Reference":"EPA-CCD-OPERA","MW":786.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82854-37-3"}
{"Compound":"Levonordefrin","CAS":"829-74-3","CAS.Checksum":true,"DTXSID":"DTXSID6046349","Formula":"C9H13NO3","All.Compound.Names":"Levonordefrin|Dtxsid6046349|829-74-3","logHenry":-10.44,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.483,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.887,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8218,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.1,"MP.Reference":"EPA-CCD-OPERA","MW":183.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"829-74-3"}
{"Compound":"Nafamostat mesylate","CAS":"82956-11-4","CAS.Checksum":true,"DTXSID":"DTXSID7046128","Formula":"C21H25N5O8S2","All.Compound.Names":"Nafamostat mesylate|Dtxsid7046128|82956-11-4","logHenry":-9.96,"logHenry.Reference":"OPERA29","logP":2.64,"logP.Reference":"OPERA29","logWSol":-2.49,"logWSol.Reference":"OPERA29","MP":198,"MP.Reference":"OPERA29","MW":539.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"13.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82956-11-4"}
{"Compound":"3-(trimethoxysilyl)-n-[3-(trimethoxysilyl)propyl]propan-1-amine","CAS":"82985-35-1","CAS.Checksum":true,"DTXSID":"DTXSID6033825","Formula":"C12H31NO6Si2","All.Compound.Names":"3-(trimethoxysilyl)-n-[3-(trimethoxysilyl)propyl]propan-1-amine|Dtxsid6033825|82985-35-1","logHenry":-6.817,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3074,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.415,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.94,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.73,"MP.Reference":"EPA-CCD-OPERA","MW":341.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82985-35-1"}
{"Compound":"Tazanolast","CAS":"82989-25-1","CAS.Checksum":true,"DTXSID":"DTXSID6048626","Formula":"C13H15N5O3","All.Compound.Names":"Tazanolast|Dtxsid6048626|82989-25-1","logHenry":-9.418,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.617,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.623,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.817,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.2,"MP.Reference":"EPA-CCD-OPERA","MW":289.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.5","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82989-25-1"}
{"Compound":"P,p'-dda","CAS":"83-05-6","CAS.Checksum":true,"DTXSID":"DTXSID3040699","Formula":"C14H10Cl2O2","All.Compound.Names":"P,p'-dda|Dtxsid3040699|83-05-6","logHenry":-9.561,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.638,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.003,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.493,"logWSol.Reference":"EPA-CCD-OPERA","MP":168,"MP.Reference":"EPA-CCD-OPERA","MW":281.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83-05-6"}
{"Compound":"Ampyrone","CAS":"83-07-8","CAS.Checksum":true,"DTXSID":"DTXSID8048860","Formula":"C11H13N3O","All.Compound.Names":"Ampyrone|Dtxsid8048860|83-07-8","logHenry":-8.566,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.969,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.42,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1567,"logWSol.Reference":"EPA-CCD-OPERA","MP":109,"MP.Reference":"EPA-CCD-OPERA","MW":203.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83-07-8"}
{"Compound":"Phenindione","CAS":"83-12-5","CAS.Checksum":true,"DTXSID":"DTXSID5023453","Formula":"C15H10O2","All.Compound.Names":"Phenindione|83-12-5|Dtxsid5023453","logHenry":-6.567,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.903,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.626,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.494,"logWSol.Reference":"EPA-CCD-OPERA","MP":150,"MP.Reference":"EPA-CCD-OPERA","MW":222.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.97,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"83-12-5"}
{"Compound":"Pindone","CAS":"83-26-1","CAS.Checksum":true,"DTXSID":"DTXSID1025930","Formula":"C14H14O3","All.Compound.Names":"Pindone|Dtxsid1025930","logHenry":-5.892,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.081,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.406,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.107,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.8,"MP.Reference":"EPA-CCD-OPERA","MW":230.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83-26-1"}
{"Compound":"2-isovaleryl-1,3-indanedione","CAS":"83-28-3","CAS.Checksum":true,"DTXSID":"DTXSID8042509","Formula":"C14H14O3","All.Compound.Names":"2-isovaleryl-1,3-indanedione|Dtxsid8042509","logHenry":-6.521,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.263,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.914,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.362,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.99,"MP.Reference":"EPA-CCD-OPERA","MW":230.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83-28-3"}
{"Compound":"3-methylindole","CAS":"83-34-1","CAS.Checksum":true,"DTXSID":"DTXSID8021775","Formula":"C9H9N","All.Compound.Names":"3-methylindole|Dtxsid8021775|83-34-1","logHenry":-5.656,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.6,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.175,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.418,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.06,"MP.Reference":"EPA-CCD-OPERA","MW":131.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"89.1,39.6,201","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"83-34-1"}
{"Compound":"2,6-dichlorobenzaldehyde","CAS":"83-38-5","CAS.Checksum":true,"DTXSID":"DTXSID5024970","Formula":"C7H4Cl2O","All.Compound.Names":"2,6-dichlorobenzaldehyde|Dtxsid5024970","logHenry":-3.572,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.848,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.861,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.724,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.04,"MP.Reference":"EPA-CCD-OPERA","MW":175,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83-38-5"}
{"Compound":"2-hydroxy-3-methylbenzoic acid","CAS":"83-40-9","CAS.Checksum":true,"DTXSID":"DTXSID9038686","Formula":"C8H8O3","All.Compound.Names":"2-hydroxy-3-methylbenzoic acid|Dtxsid9038686|83-40-9","logHenry":-7.362,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.858,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.923,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.71,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.5,"MP.Reference":"EPA-CCD-OPERA","MW":152.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83-40-9"}
{"Compound":"1-chloro-2-methyl-3-nitrobenzene","CAS":"83-42-1","CAS.Checksum":true,"DTXSID":"DTXSID1041263","Formula":"C7H6ClNO2","All.Compound.Names":"1-chloro-2-methyl-3-nitrobenzene|Dtxsid1041263","logHenry":-5.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.088,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.919,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.493,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.86,"MP.Reference":"EPA-CCD-OPERA","MW":171.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83-42-1"}
{"Compound":"Beta-sitosterol","CAS":"83-46-5","CAS.Checksum":true,"DTXSID":"DTXSID5022481","Formula":"C29H50O","All.Compound.Names":"Beta-sitosterol|Dtxsid5022481|(-)-beta-sitosterol|83-46-5","logHenry":-7.321,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.227,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.119,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.535,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.5,"MP.Reference":"EPA-CCD-OPERA","MW":414.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83-46-5"}
{"Compound":"1,5-dihydroxynaphthalene","CAS":"83-56-7","CAS.Checksum":true,"DTXSID":"DTXSID2052574","Formula":"C10H8O2","All.Compound.Names":"1,5-dihydroxynaphthalene|Dtxsid2052574|83-56-7","logHenry":-6.604,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.94,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.125,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.95,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.7,"MP.Reference":"EPA-CCD-OPERA","MW":160.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83-56-7"}
{"Compound":"Musk ambrette","CAS":"83-66-9","CAS.Checksum":true,"DTXSID":"DTXSID7025689","Formula":"C12H16N2O5","All.Compound.Names":"Musk ambrette|Dtxsid7025689|83-66-9","logHenry":-5.288,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.666,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.838,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.157,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.03,"MP.Reference":"EPA-CCD-OPERA","MW":268.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83-66-9"}
{"Compound":"Iodoquinol","CAS":"83-73-8","CAS.Checksum":true,"DTXSID":"DTXSID6023155","Formula":"C9H5I2NO","All.Compound.Names":"Iodoquinol|Dtxsid6023155|83-73-8","logHenry":-7.005,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.544,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.744,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.334,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.8,"MP.Reference":"EPA-CCD-OPERA","MW":397,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83-73-8"}
{"Compound":"Quinine ethyl carbonate","CAS":"83-75-0","CAS.Checksum":true,"DTXSID":"DTXSID0045965","Formula":"C23H28N2O4","All.Compound.Names":"Quinine ethyl carbonate|Dtxsid0045965|83-75-0","logHenry":-7.134,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.388,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.332,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.23,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.7,"MP.Reference":"EPA-CCD-OPERA","MW":396.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83-75-0"}
{"Compound":"Riboflavin","CAS":"83-88-5","CAS.Checksum":true,"DTXSID":"DTXSID8021777","Formula":"C17H20N4O6","All.Compound.Names":"Riboflavin|Dtxsid8021777|83-88-5","logHenry":-10.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.458,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.95,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.658,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.3,"MP.Reference":"EPA-CCD-OPERA","MW":376.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83-88-5"}
{"Compound":"Cyclododecanone","CAS":"830-13-7","CAS.Checksum":true,"DTXSID":"DTXSID3027322","Formula":"C12H22O","All.Compound.Names":"Cyclododecanone|Dtxsid3027322","logHenry":-3.628,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.1,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.583,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.717,"logWSol.Reference":"EPA-CCD-OPERA","MP":23.47,"MP.Reference":"EPA-CCD-OPERA","MW":182.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"830-13-7"}
{"Compound":"Albutoin","CAS":"830-89-7","CAS.Checksum":true,"DTXSID":"DTXSID0022565","Formula":"C10H16N2OS","All.Compound.Names":"Albutoin|Dtxsid0022565|830-89-7","logHenry":-9.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.684,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.193,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.937,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.6,"MP.Reference":"EPA-CCD-OPERA","MW":212.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"830-89-7"}
{"Compound":"2-[{2-[2-(dimethylamino)ethoxy]ethyl}(methyl)amino]ethanol","CAS":"83016-70-0","CAS.Checksum":true,"DTXSID":"DTXSID5044734","Formula":"C9H22N2O2","All.Compound.Names":"2-[{2-[2-(dimethylamino)ethoxy]ethyl}(methyl)amino]ethanol|Dtxsid5044734|83016-70-0","logHenry":-8.088,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1385,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.852,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8125,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.3,"MP.Reference":"EPA-CCD-OPERA","MW":190.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83016-70-0"}
{"Compound":"Disodium benzene-1,3-disulfonate","CAS":"831-59-4","CAS.Checksum":true,"DTXSID":"DTXSID0044735","Formula":"C6H4Na2O6S2","All.Compound.Names":"Disodium benzene-1,3-disulfonate|Dtxsid0044735|831-59-4","logHenry":-10.41,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.517,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.64,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.05144,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.4,"MP.Reference":"EPA-CCD-OPERA","MW":282.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"831-59-4"}
{"Compound":"4-phenoxyphenol","CAS":"831-82-3","CAS.Checksum":true,"DTXSID":"DTXSID2022127","Formula":"C12H10O2","All.Compound.Names":"4-phenoxyphenol|Dtxsid2022127|831-82-3","logHenry":-7.151,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.351,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.88,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.314,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.13,"MP.Reference":"EPA-CCD-OPERA","MW":186.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"831-82-3"}
{"Compound":"Sultamicillin tosylate","CAS":"83105-70-8","CAS.Checksum":true,"DTXSID":"DTXSID9048641","Formula":"C32H38N4O12S3","All.Compound.Names":"Sultamicillin tosylate|Dtxsid9048641|83105-70-8","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8162,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.919,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.444,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.5,"MP.Reference":"EPA-CCD-OPERA","MW":766.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83105-70-8"}
{"Compound":"Teflubenzuron","CAS":"83121-18-0","CAS.Checksum":true,"DTXSID":"DTXSID6042440","Formula":"C14H6Cl2F4N2O2","All.Compound.Names":"Teflubenzuron|Dtxsid6042440|83121-18-0","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.557,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.877,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.433,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.5,"MP.Reference":"EPA-CCD-OPERA","MW":381.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83121-18-0"}
{"Compound":"Diflufenican","CAS":"83164-33-4","CAS.Checksum":true,"DTXSID":"DTXSID4041494","Formula":"C19H11F5N2O2","All.Compound.Names":"Diflufenican|Dtxsid4041494|83164-33-4","logHenry":-6.489,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.901,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.668,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.898,"logWSol.Reference":"EPA-CCD-OPERA","MP":160,"MP.Reference":"EPA-CCD-OPERA","MW":394.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83164-33-4"}
{"Compound":"1-methyl phenanthrene","CAS":"832-69-9","CAS.Checksum":true,"DTXSID":"DTXSID6025648","Formula":"C15H12","All.Compound.Names":"1-methyl phenanthrene|Dtxsid6025648","logHenry":-4.307,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.08,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.473,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.851,"logWSol.Reference":"EPA-CCD-OPERA","MP":86,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"832-69-9"}
{"Compound":"Mescaline hydrochloride","CAS":"832-92-8","CAS.Checksum":true,"DTXSID":"DTXSID7048879","Formula":"C11H18ClNO3","All.Compound.Names":"Mescaline hydrochloride|Dtxsid7048879|832-92-8","logHenry":-8.846,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2188,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.432,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.015,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.9,"MP.Reference":"EPA-CCD-OPERA","MW":247.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"832-92-8"}
{"Compound":"Tiracizine","CAS":"83275-56-3","CAS.Checksum":true,"DTXSID":"DTXSID5048714","Formula":"C21H25N3O3","All.Compound.Names":"Tiracizine|Dtxsid5048714|83275-56-3","logHenry":-10.99,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2426,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.1,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.212,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.6,"MP.Reference":"EPA-CCD-OPERA","MW":367.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.3","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83275-56-3"}
{"Compound":"Potassium 6-hydroxynaphthalene-2-sulfonate","CAS":"833-66-9","CAS.Checksum":true,"DTXSID":"DTXSID1029201","Formula":"C10H7KO4S","All.Compound.Names":"Potassium 6-hydroxynaphthalene-2-sulfonate|Dtxsid1029201|833-66-9","logHenry":-8.559,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.465,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.82,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.49,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.8,"MP.Reference":"EPA-CCD-OPERA","MW":262.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"833-66-9"}
{"Compound":"Bryostatin 1","CAS":"83314-01-6","CAS.Checksum":true,"DTXSID":"DTXSID8046876","Formula":"C47H68O17","All.Compound.Names":"Bryostatin 1|Dtxsid8046876|83314-01-6","logHenry":-10.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.939,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.636,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.892,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.1,"MP.Reference":"EPA-CCD-OPERA","MW":905,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83314-01-6"}
{"Compound":"Phenformin hydrochloride","CAS":"834-28-6","CAS.Checksum":true,"DTXSID":"DTXSID0021121","Formula":"C10H16ClN5","All.Compound.Names":"Phenformin hydrochloride|Dtxsid0021121|834-28-6","logHenry":-8.655,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2915,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.497,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.038,"logWSol.Reference":"EPA-CCD-OPERA","MP":159,"MP.Reference":"EPA-CCD-OPERA","MW":241.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"834-28-6"}
{"Compound":"Delapril hydrochloride","CAS":"83435-67-0","CAS.Checksum":true,"DTXSID":"DTXSID6048597","Formula":"C26H33ClN2O5","All.Compound.Names":"Delapril hydrochloride|Dtxsid6048597|83435-67-0","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.51,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.128,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.335,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.7,"MP.Reference":"EPA-CCD-OPERA","MW":489,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83435-67-0"}
{"Compound":"Pincainide","CAS":"83471-41-4","CAS.Checksum":true,"DTXSID":"DTXSID5046142","Formula":"C16H24N2O","All.Compound.Names":"Pincainide|Dtxsid5046142|83471-41-4","logHenry":-9.472,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.743,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.696,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.265,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.6,"MP.Reference":"EPA-CCD-OPERA","MW":260.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83471-41-4"}
{"Compound":"Voglibose","CAS":"83480-29-9","CAS.Checksum":true,"DTXSID":"DTXSID2021442","Formula":"C10H21NO7","All.Compound.Names":"Voglibose|83480-29-9|Dtxsid2021442","logHenry":-9.672,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.671,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.24,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2403,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.1,"MP.Reference":"EPA-CCD-OPERA","MW":267.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.06,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"83480-29-9"}
{"Compound":"2,2'-dihydroxybenzophenone","CAS":"835-11-0","CAS.Checksum":true,"DTXSID":"DTXSID8022404","Formula":"C13H10O3","All.Compound.Names":"2,2'-dihydroxybenzophenone|Dtxsid8022404|835-11-0","logHenry":-9.543,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.886,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.291,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.517,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.68,"MP.Reference":"EPA-CCD-OPERA","MW":214.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"835-11-0"}
{"Compound":"Naphazoline","CAS":"835-31-4","CAS.Checksum":true,"DTXSID":"DTXSID3048449","Formula":"C14H14N2","All.Compound.Names":"Naphazoline|Dtxsid3048449|835-31-4","logHenry":-7.871,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.055,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.167,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.155,"logWSol.Reference":"EPA-CCD-OPERA","MP":91,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"835-31-4"}
{"Compound":"Ilmofosine","CAS":"83519-04-4","CAS.Checksum":true,"DTXSID":"DTXSID2049008","Formula":"C26H56NO5PS","All.Compound.Names":"Ilmofosine|Dtxsid2049008|83519-04-4","logHenry":-6.433,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.877,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.802,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.491,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.87,"MP.Reference":"EPA-CCD-OPERA","MW":525.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83519-04-4"}
{"Compound":"4-nitro-n-phenylaniline","CAS":"836-30-6","CAS.Checksum":true,"DTXSID":"DTXSID8027323","Formula":"C12H10N2O2","All.Compound.Names":"4-nitro-n-phenylaniline|Dtxsid8027323|836-30-6","logHenry":-8.933,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.74,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.195,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.914,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.3,"MP.Reference":"EPA-CCD-OPERA","MW":214.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-2.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"836-30-6"}
{"Compound":"1-(4-fluorobenzyl)-1h-benzimidazol-2-amine","CAS":"83783-69-1","CAS.Checksum":true,"DTXSID":"DTXSID5057838","Formula":"C14H12FN3","All.Compound.Names":"1-(4-fluorobenzyl)-1h-benzimidazol-2-amine|Dtxsid5057838|83783-69-1","logHenry":-8.881,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.052,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.778,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.564,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.9,"MP.Reference":"EPA-CCD-OPERA","MW":241.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83783-69-1"}
{"Compound":"Diphenyl phosphate","CAS":"838-85-7","CAS.Checksum":true,"DTXSID":"DTXSID1048207","Formula":"C12H11O4P","All.Compound.Names":"Diphenyl phosphate|Dtxsid1048207|838-85-7","logHenry":-6.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.193,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.366,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.97,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.51,"MP.Reference":"EPA-CCD-OPERA","MW":250.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"838-85-7"}
{"Compound":"2-ethylhexyl trans-4-methoxycinnamate","CAS":"83834-59-7","CAS.Checksum":true,"DTXSID":"DTXSID9047205","Formula":"C18H26O3","All.Compound.Names":"2-ethylhexyl trans-4-methoxycinnamate|Dtxsid9047205","logHenry":-6.969,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.318,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.678,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.94,"MP.Reference":"EPA-CCD-OPERA","MW":290.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83834-59-7"}
{"Compound":"Cetirizine dihydrochloride","CAS":"83881-52-1","CAS.Checksum":true,"DTXSID":"DTXSID2044268","Formula":"C21H27Cl3N2O3","All.Compound.Names":"Cetirizine dihydrochloride|Cetirizine hydrochloride (1:2)|Dtxsid2044268|83881-52-1","logHenry":-9.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.883,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.5,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.104,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.3,"MP.Reference":"EPA-CCD-OPERA","MW":461.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83881-52-1"}
{"Compound":"Tris(2-hydroxyethyl) isocyanurate","CAS":"839-90-7","CAS.Checksum":true,"DTXSID":"DTXSID4026266","Formula":"C9H15N3O6","All.Compound.Names":"Tris(2-hydroxyethyl) isocyanurate|Dtxsid4026266","logHenry":-8.502,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8549,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.17,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6778,"logWSol.Reference":"EPA-CCD-OPERA","MP":146,"MP.Reference":"EPA-CCD-OPERA","MW":261.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"839-90-7"}
{"Compound":"Lisinopril dihydrate","CAS":"83915-83-7","CAS.Checksum":true,"DTXSID":"DTXSID2045600","Formula":"C21H35N3O7","All.Compound.Names":"Lisinopril dihydrate|Dtxsid2045600|83915-83-7","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.354,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.79,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6237,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.7,"MP.Reference":"EPA-CCD-OPERA","MW":441.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.91","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83915-83-7"}
{"Compound":"Isopropyl citrate","CAS":"83966-24-9","CAS.Checksum":true,"DTXSID":"DTXSID00274148","Formula":"C9H14O7","All.Compound.Names":"Isopropyl citrate|1,2,3-propanetricarboxylic acid,2-hydroxy-,2-(1-methylethyl)ester|Dtxsid00274148|83966-24-9","logHenry":-10.97,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.07504,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.2,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2987,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.9,"MP.Reference":"EPA-CCD-OPERA","MW":234.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83966-24-9"}
{"Compound":"Ambasilide","CAS":"83991-25-7","CAS.Checksum":true,"DTXSID":"DTXSID0057839","Formula":"C21H25N3O","All.Compound.Names":"Ambasilide|Dtxsid0057839|83991-25-7","logHenry":-9.985,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.777,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.643,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.836,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.5,"MP.Reference":"EPA-CCD-OPERA","MW":335.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83991-25-7"}
{"Compound":"Prochlorperazine dimaleate","CAS":"84-02-6","CAS.Checksum":true,"DTXSID":"DTXSID1049015","Formula":"C28H32ClN3O8S","All.Compound.Names":"Prochlorperazine dimaleate|Prochlorperazine dimaleate salt|Dtxsid1049015|84-02-6","logHenry":-7.188,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6684,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.04,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.398,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.1,"MP.Reference":"EPA-CCD-OPERA","MW":606.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84-02-6"}
{"Compound":"Pyrathiazine","CAS":"84-08-2","CAS.Checksum":true,"DTXSID":"DTXSID2046252","Formula":"C18H20N2S","All.Compound.Names":"Pyrathiazine|Dtxsid2046252|84-08-2","logHenry":-5.19,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.568,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.295,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.727,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.2,"MP.Reference":"EPA-CCD-OPERA","MW":296.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84-08-2"}
{"Compound":"Phanquinone","CAS":"84-12-8","CAS.Checksum":true,"DTXSID":"DTXSID3046112","Formula":"C12H6N2O2","All.Compound.Names":"Phanquinone|Dtxsid3046112|84-12-8","logHenry":-9.168,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.115,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.728,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.722,"logWSol.Reference":"EPA-CCD-OPERA","MP":91.96,"MP.Reference":"EPA-CCD-OPERA","MW":210.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84-12-8"}
{"Compound":"O-terphenyl","CAS":"84-15-1","CAS.Checksum":true,"DTXSID":"DTXSID1049697","Formula":"C18H14","All.Compound.Names":"O-terphenyl|Dtxsid1049697","logHenry":-5.209,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.722,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.923,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.625,"logWSol.Reference":"EPA-CCD-OPERA","MP":117.6,"MP.Reference":"EPA-CCD-OPERA","MW":230.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84-15-1"}
{"Compound":"Dienestrol","CAS":"84-17-3","CAS.Checksum":true,"DTXSID":"DTXSID7022382","Formula":"C18H18O2","All.Compound.Names":"Dienestrol|Dtxsid7022382|84-17-3","logHenry":-9.758,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.004,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.183,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.823,"logWSol.Reference":"EPA-CCD-OPERA","MP":226.9,"MP.Reference":"EPA-CCD-OPERA","MW":266.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84-17-3"}
{"Compound":"Dienestrol diacetate","CAS":"84-19-5","CAS.Checksum":true,"DTXSID":"DTXSID9057840","Formula":"C22H22O4","All.Compound.Names":"Dienestrol diacetate|Dtxsid9057840","logHenry":-7.463,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.458,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.245,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.741,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.19,"MP.Reference":"EPA-CCD-OPERA","MW":350.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84-19-5"}
{"Compound":"Syrosingopine","CAS":"84-36-6","CAS.Checksum":true,"DTXSID":"DTXSID9023629","Formula":"C35H42N2O11","All.Compound.Names":"Syrosingopine|Dtxsid9023629|84-36-6","logHenry":-7.922,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.507,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.871,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.093,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.1,"MP.Reference":"EPA-CCD-OPERA","MW":666.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84-36-6"}
{"Compound":"2-ethylanthracene-9,10-dione","CAS":"84-51-5","CAS.Checksum":true,"DTXSID":"DTXSID5044994","Formula":"C16H12O2","All.Compound.Names":"2-ethylanthracene-9,10-dione|2-ethylanthraquinone|Dtxsid5044994","logHenry":-7.194,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.364,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.267,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.805,"logWSol.Reference":"EPA-CCD-OPERA","MP":112,"MP.Reference":"EPA-CCD-OPERA","MW":236.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84-51-5"}
{"Compound":"2-methylanthraquinone","CAS":"84-54-8","CAS.Checksum":true,"DTXSID":"DTXSID5041439","Formula":"C15H10O2","All.Compound.Names":"2-methylanthraquinone|Dtxsid5041439","logHenry":-6.555,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.344,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.594,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.799,"logWSol.Reference":"EPA-CCD-OPERA","MP":177,"MP.Reference":"EPA-CCD-OPERA","MW":222.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84-54-8"}
{"Compound":"2,3-dichloro-5,6-dicyano-p-benzoquinone","CAS":"84-58-2","CAS.Checksum":true,"DTXSID":"DTXSID7052577","Formula":"C8Cl2N2O2","All.Compound.Names":"2,3-dichloro-5,6-dicyano-p-benzoquinone|Dtxsid7052577","logHenry":-5.41,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.463,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.951,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.129,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.4,"MP.Reference":"EPA-CCD-OPERA","MW":227,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84-58-2"}
{"Compound":"Dicyclohexyl phthalate","CAS":"84-61-7","CAS.Checksum":true,"DTXSID":"DTXSID5025021","Formula":"C20H26O4","All.Compound.Names":"Dicyclohexyl phthalate|Dtxsid5025021","logHenry":-7.511,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.834,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.186,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.919,"logWSol.Reference":"EPA-CCD-OPERA","MP":66.06,"MP.Reference":"EPA-CCD-OPERA","MW":330.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84-61-7"}
{"Compound":"Anthraquinone","CAS":"84-65-1","CAS.Checksum":true,"DTXSID":"DTXSID3020095","Formula":"C14H8O2","All.Compound.Names":"Anthraquinone|Dtxsid3020095","logHenry":-6.516,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.389,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.025,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.483,"logWSol.Reference":"EPA-CCD-OPERA","MP":284.6,"MP.Reference":"EPA-CCD-OPERA","MW":208.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84-65-1"}
{"Compound":"Ethyl phthalyl ethyl glycolate","CAS":"84-72-0","CAS.Checksum":true,"DTXSID":"DTXSID3024100","Formula":"C14H16O6","All.Compound.Names":"Ethyl phthalyl ethyl glycolate|Dtxsid3024100","logHenry":-8.591,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.048,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.126,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.481,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.09,"MP.Reference":"EPA-CCD-OPERA","MW":280.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84-72-0"}
{"Compound":"Dinonyl phthalate","CAS":"84-76-4","CAS.Checksum":true,"DTXSID":"DTXSID9047966","Formula":"C26H42O4","All.Compound.Names":"Dinonyl phthalate|1,2-benzenedicarboxylic acid, dinonyl ester|Dtxsid9047966","logHenry":-6.886,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.718,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.975,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.802,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.503,"MP.Reference":"EPA-CCD-OPERA","MW":418.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84-76-4"}
{"Compound":"Didecyl phthalate","CAS":"84-77-5","CAS.Checksum":true,"DTXSID":"DTXSID3026512","Formula":"C28H46O4","All.Compound.Names":"Didecyl phthalate|Dtxsid3026512","logHenry":-7.102,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.05,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.635,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-9.302,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.8975,"MP.Reference":"EPA-CCD-OPERA","MW":446.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84-77-5"}
{"Compound":"Lapachol","CAS":"84-79-7","CAS.Checksum":true,"DTXSID":"DTXSID6049430","Formula":"C15H14O3","All.Compound.Names":"Lapachol|Dtxsid6049430","logHenry":-4.119,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.963,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.905,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.704,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.5,"MP.Reference":"EPA-CCD-OPERA","MW":242.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84-79-7"}
{"Compound":"Phytonadione","CAS":"84-80-0","CAS.Checksum":true,"DTXSID":"DTXSID8023472","Formula":"C31H46O2","All.Compound.Names":"Phytonadione|Dtxsid8023472","logHenry":-6.478,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.438,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.242,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.08,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.49,"MP.Reference":"EPA-CCD-OPERA","MW":450.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84-80-0"}
{"Compound":"Perazine","CAS":"84-97-9","CAS.Checksum":true,"DTXSID":"DTXSID6048628","Formula":"C20H25N3S","All.Compound.Names":"Perazine|Dtxsid6048628|84-97-9","logHenry":-5.274,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.002,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.698,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.746,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.23,"MP.Reference":"EPA-CCD-OPERA","MW":339.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84-97-9"}
{"Compound":"Dimethyl 2,6-naphthalenedicarboxylate","CAS":"840-65-3","CAS.Checksum":true,"DTXSID":"DTXSID6029202","Formula":"C14H12O4","All.Compound.Names":"Dimethyl 2,6-naphthalenedicarboxylate|Dtxsid6029202","logHenry":-7.505,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.545,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.798,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.55,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.06,"MP.Reference":"EPA-CCD-OPERA","MW":244.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"840-65-3"}
{"Compound":"Lamotrigine","CAS":"84057-84-1","CAS.Checksum":true,"DTXSID":"DTXSID2023195","Formula":"C9H7Cl2N5","All.Compound.Names":"Lamotrigine|84057-84-1|Dtxsid2023195","logHenry":-8.948,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.567,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.634,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.369,"logWSol.Reference":"EPA-CCD-OPERA","MP":238,"MP.Reference":"EPA-CCD-OPERA","MW":256.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.98,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.976,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"84057-84-1"}
{"Compound":"Bucolome","CAS":"841-73-6","CAS.Checksum":true,"DTXSID":"DTXSID4048854","Formula":"C14H22N2O3","All.Compound.Names":"Bucolome|Dtxsid4048854|841-73-6","logHenry":-7.885,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.602,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.976,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.09,"MP.Reference":"EPA-CCD-OPERA","MW":266.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"841-73-6"}
{"Compound":"Imazodan","CAS":"84243-58-3","CAS.Checksum":true,"DTXSID":"DTXSID1045160","Formula":"C13H12N4O","All.Compound.Names":"Imazodan|Dtxsid1045160|84243-58-3","logHenry":-8.103,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9625,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.236,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.373,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.6,"MP.Reference":"EPA-CCD-OPERA","MW":240.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84243-58-3"}
{"Compound":"Bisphenol z","CAS":"843-55-0","CAS.Checksum":true,"DTXSID":"DTXSID4047963","Formula":"C18H20O2","All.Compound.Names":"Bisphenol z|Dtxsid4047963|843-55-0","logHenry":-6.318,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.084,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.118,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.868,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.7,"MP.Reference":"EPA-CCD-OPERA","MW":268.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"843-55-0"}
{"Compound":"Flavin adenine dinucleotide disodium","CAS":"84366-81-4","CAS.Checksum":true,"DTXSID":"DTXSID0046723","Formula":"C27H31N9Na2O15P2","All.Compound.Names":"Flavin adenine dinucleotide disodium|Dtxsid0046723|84366-81-4","logHenry":-10.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1012,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.501,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1373,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.6,"MP.Reference":"EPA-CCD-OPERA","MW":829.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84366-81-4"}
{"Compound":"Clebopride maleate","CAS":"84370-95-6","CAS.Checksum":true,"DTXSID":"DTXSID6047787","Formula":"C24H28ClN3O6","All.Compound.Names":"Clebopride maleate|Dtxsid6047787|84370-95-6","logHenry":-10.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6691,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.873,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.012,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.7,"MP.Reference":"EPA-CCD-OPERA","MW":490,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84370-95-6"}
{"Compound":"Bretazenil","CAS":"84379-13-5","CAS.Checksum":true,"DTXSID":"DTXSID6046266","Formula":"C19H20BrN3O3","All.Compound.Names":"Bretazenil|Dtxsid6046266|84379-13-5","logHenry":-8.991,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.23,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.451,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.744,"logWSol.Reference":"EPA-CCD-OPERA","MP":136,"MP.Reference":"EPA-CCD-OPERA","MW":418.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84379-13-5"}
{"Compound":"Xenalipin","CAS":"84392-17-6","CAS.Checksum":true,"DTXSID":"DTXSID0046565","Formula":"C14H9F3O2","All.Compound.Names":"Xenalipin|Dtxsid0046565|84392-17-6","logHenry":-8.148,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.569,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.258,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.117,"logWSol.Reference":"EPA-CCD-OPERA","MP":170,"MP.Reference":"EPA-CCD-OPERA","MW":266.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84392-17-6"}
{"Compound":"Bithionoloxide","CAS":"844-26-8","CAS.Checksum":true,"DTXSID":"DTXSID5046225","Formula":"C12H6Cl4O3S","All.Compound.Names":"Bithionoloxide|Dtxsid5046225|844-26-8","logHenry":-9.686,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.747,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.653,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.066,"logWSol.Reference":"EPA-CCD-OPERA","MP":234.5,"MP.Reference":"EPA-CCD-OPERA","MW":372,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"844-26-8"}
{"Compound":"4-(2-piperidinoethoxy)benzoic acid hydrochloride(1:1)","CAS":"84449-80-9","CAS.Checksum":true,"DTXSID":"DTXSID4057841","Formula":"C14H20ClNO3","All.Compound.Names":"4-(2-piperidinoethoxy)benzoic acid hydrochloride(1:1)|Dtxsid4057841|84449-80-9","logHenry":-8.271,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4679,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.43,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.481,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.1,"MP.Reference":"EPA-CCD-OPERA","MW":285.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.86","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84449-80-9"}
{"Compound":"Amidoflumet","CAS":"84466-05-7","CAS.Checksum":true,"DTXSID":"DTXSID9057842","Formula":"C9H7ClF3NO4S","All.Compound.Names":"Amidoflumet|Dtxsid9057842|84466-05-7","logHenry":-8.273,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.524,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.166,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.25,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.9,"MP.Reference":"EPA-CCD-OPERA","MW":317.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84466-05-7"}
{"Compound":"Sibutramine hydrochloride","CAS":"84485-00-7","CAS.Checksum":true,"DTXSID":"DTXSID4045927","Formula":"C17H27Cl2N","All.Compound.Names":"Sibutramine hydrochloride|Dtxsid4045927|84485-00-7","logHenry":-4.676,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.107,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.497,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.264,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.8,"MP.Reference":"EPA-CCD-OPERA","MW":316.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84485-00-7"}
{"Compound":"Irsogladine maleate","CAS":"84504-69-8","CAS.Checksum":true,"DTXSID":"DTXSID2040234","Formula":"C13H11Cl2N5O4","All.Compound.Names":"Irsogladine maleate|Dtxsid2040234|84504-69-8","logHenry":-9.706,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7111,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.56,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.444,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.5,"MP.Reference":"EPA-CCD-OPERA","MW":372.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84504-69-8"}
{"Compound":"1-butyl-3-methylpyridinium hexafluorophosphate","CAS":"845835-03-2","CAS.Checksum":true,"DTXSID":"DTXSID5049360","Formula":"C10H16F6NP","All.Compound.Names":"1-butyl-3-methylpyridinium hexafluorophosphate|Dtxsid5049360|845835-03-2","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7098,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.783,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.177,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.5,"MP.Reference":"EPA-CCD-OPERA","MW":295.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"845835-03-2"}
{"Compound":"Erdosteine","CAS":"84611-23-4","CAS.Checksum":true,"DTXSID":"DTXSID8048735","Formula":"C8H11NO4S2","All.Compound.Names":"Erdosteine|Dtxsid8048735|84611-23-4","logHenry":-11.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.07572,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.018,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.294,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.6,"MP.Reference":"EPA-CCD-OPERA","MW":249.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84611-23-4"}
{"Compound":"Homochlorcyclizine","CAS":"848-53-3","CAS.Checksum":true,"DTXSID":"DTXSID9045635","Formula":"C19H23ClN2","All.Compound.Names":"Homochlorcyclizine|Dtxsid9045635|848-53-3","logHenry":-5.329,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.521,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.278,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.217,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.9,"MP.Reference":"EPA-CCD-OPERA","MW":314.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"848-53-3"}
{"Compound":"4-(4-chlorophenyl)piperidine-2,6-dione","CAS":"84803-46-3","CAS.Checksum":true,"DTXSID":"DTXSID4057843","Formula":"C11H10ClNO2","All.Compound.Names":"4-(4-chlorophenyl)piperidine-2,6-dione|Dtxsid4057843|84803-46-3","logHenry":-8.687,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.967,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.382,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.626,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.2,"MP.Reference":"EPA-CCD-OPERA","MW":223.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84803-46-3"}
{"Compound":"1-ethyl-3-methylimidazolium diethylphosphate","CAS":"848641-69-0","CAS.Checksum":true,"DTXSID":"DTXSID9047889","Formula":"C10H21N2O4P","All.Compound.Names":"1-ethyl-3-methylimidazolium diethylphosphate|1-ethyl-3-methyl-1h-imidazol-3-ium diethyl phosphate","MW":264.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"848641-69-0"}
{"Compound":"Maduramicin ammonium","CAS":"84878-61-5","CAS.Checksum":true,"DTXSID":"DTXSID4048983","Formula":"C47H83NO17","All.Compound.Names":"Maduramicin ammonium|Dtxsid4048983|84878-61-5","logHenry":-5.54,"logHenry.Reference":"OPERA29","logP":3.42,"logP.Reference":"OPERA29","logWSol":-3.5,"logWSol.Reference":"OPERA29","MP":175,"MP.Reference":"OPERA29","MW":934.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.76","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84878-61-5"}
{"Compound":"Sodium 3-(trihydroxysilyl)propyl methylphosphonate","CAS":"84962-98-1","CAS.Checksum":true,"DTXSID":"DTXSID8044834","Formula":"C4H12NaO6PSi","All.Compound.Names":"Sodium 3-(trihydroxysilyl)propyl methylphosphonate|Dtxsid8044834|84962-98-1","logHenry":-8.033,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.374,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.778,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3635,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.8,"MP.Reference":"EPA-CCD-OPERA","MW":238.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84962-98-1"}
{"Compound":"Benzo(f)quinoline","CAS":"85-02-9","CAS.Checksum":true,"DTXSID":"DTXSID2024585","Formula":"C13H9N","All.Compound.Names":"Benzo(f)quinoline|Dtxsid2024585|85-02-9","logHenry":-3.873,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.43,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.941,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.359,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.76,"MP.Reference":"EPA-CCD-OPERA","MW":179.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85-02-9"}
{"Compound":"(5-chloro-2-hydroxyphenyl)phenylmethanone","CAS":"85-19-8","CAS.Checksum":true,"DTXSID":"DTXSID8047894","Formula":"C13H9ClO2","All.Compound.Names":"(5-chloro-2-hydroxyphenyl)phenylmethanone|Dtxsid8047894|Benzophenone 7|85-19-8","logHenry":-8.742,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.438,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.295,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.839,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.67,"MP.Reference":"EPA-CCD-OPERA","MW":232.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85-19-8"}
{"Compound":"2,3,4,5,6-pentabromoethylbenzene","CAS":"85-22-3","CAS.Checksum":true,"DTXSID":"DTXSID7021782","Formula":"C8H5Br5","All.Compound.Names":"2,3,4,5,6-pentabromoethylbenzene|Dtxsid7021782","logHenry":-3.06,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.619,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.209,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-9.227,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.4,"MP.Reference":"EPA-CCD-OPERA","MW":500.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85-22-3"}
{"Compound":"Chlorfenac","CAS":"85-34-7","CAS.Checksum":true,"DTXSID":"DTXSID2040284","Formula":"C8H5Cl3O2","All.Compound.Names":"Chlorfenac|Dtxsid2040284|85-34-7","logHenry":-8.539,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.201,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.096,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.448,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.9,"MP.Reference":"EPA-CCD-OPERA","MW":239.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85-34-7"}
{"Compound":"Acetrizoic acid","CAS":"85-36-9","CAS.Checksum":true,"DTXSID":"DTXSID2022549","Formula":"C9H6I3NO3","All.Compound.Names":"Acetrizoic acid|Dtxsid2022549|85-36-9","logHenry":-8.889,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.829,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.589,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.644,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.8,"MP.Reference":"EPA-CCD-OPERA","MW":556.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85-36-9"}
{"Compound":"1,2,3,6-tetrahydrophthalimide","CAS":"85-40-5","CAS.Checksum":true,"DTXSID":"DTXSID8026513","Formula":"C8H9NO2","All.Compound.Names":"1,2,3,6-tetrahydrophthalimide|Dtxsid8026513|85-40-5","logHenry":-7.259,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.136,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.561,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.758,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.7,"MP.Reference":"EPA-CCD-OPERA","MW":151.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85-40-5"}
{"Compound":"Phthalimide","CAS":"85-41-6","CAS.Checksum":true,"DTXSID":"DTXSID3026514","Formula":"C8H5NO2","All.Compound.Names":"Phthalimide|Dtxsid3026514|85-41-6","logHenry":-7.832,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.149,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.514,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.607,"logWSol.Reference":"EPA-CCD-OPERA","MP":237.7,"MP.Reference":"EPA-CCD-OPERA","MW":147.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85-41-6"}
{"Compound":"Hexahydrophthalic anhydride","CAS":"85-42-7","CAS.Checksum":true,"DTXSID":"DTXSID8026515","Formula":"C8H10O3","All.Compound.Names":"Hexahydrophthalic anhydride|Dtxsid8026515","logHenry":-7.879,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9909,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.123,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9266,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.11,"MP.Reference":"EPA-CCD-OPERA","MW":154.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85-42-7"}
{"Compound":"Tetrahydrophthalic anhydride","CAS":"85-43-8","CAS.Checksum":true,"DTXSID":"DTXSID3026516","Formula":"C8H8O3","All.Compound.Names":"Tetrahydrophthalic anhydride|Dtxsid3026516","logHenry":-8.443,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2475,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.837,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.283,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.8,"MP.Reference":"EPA-CCD-OPERA","MW":152.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85-43-8"}
{"Compound":"Phthalic anhydride","CAS":"85-44-9","CAS.Checksum":true,"DTXSID":"DTXSID2021159","Formula":"C8H4O3","All.Compound.Names":"Phthalic anhydride|Dtxsid2021159","logHenry":-8.771,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.597,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.365,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.384,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.8,"MP.Reference":"EPA-CCD-OPERA","MW":148.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85-44-9"}
{"Compound":"4,4'-butane-1,1-diylbis(2-tert-butyl-5-methylphenol)","CAS":"85-60-9","CAS.Checksum":true,"DTXSID":"DTXSID8029602","Formula":"C26H38O2","All.Compound.Names":"4,4'-butane-1,1-diylbis(2-tert-butyl-5-methylphenol)|Dtxsid8029602|85-60-9","logHenry":-6.428,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.978,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.514,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.22,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.4,"MP.Reference":"EPA-CCD-OPERA","MW":382.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85-60-9"}
{"Compound":"Butyl 2-ethylhexyl phthalate","CAS":"85-69-8","CAS.Checksum":true,"DTXSID":"DTXSID8026519","Formula":"C20H30O4","All.Compound.Names":"Butyl 2-ethylhexyl phthalate|Dtxsid8026519","logHenry":-6.933,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.605,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.219,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.923,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.05,"MP.Reference":"EPA-CCD-OPERA","MW":334.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85-69-8"}
{"Compound":"Butylphthalyl butylglycolate","CAS":"85-70-1","CAS.Checksum":true,"DTXSID":"DTXSID7023938","Formula":"C18H24O6","All.Compound.Names":"Butylphthalyl butylglycolate|1,2-benzenedicarboxylic acid, 2-butoxy-2-oxoethyl butyl ester|Dtxsid7023938","logHenry":-7.895,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.665,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.154,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.199,"logWSol.Reference":"EPA-CCD-OPERA","MP":39,"MP.Reference":"EPA-CCD-OPERA","MW":336.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85-70-1"}
{"Compound":"Phthalylsulfathiazole","CAS":"85-73-4","CAS.Checksum":true,"DTXSID":"DTXSID8023470","Formula":"C17H13N3O5S2","All.Compound.Names":"Phthalylsulfathiazole|Dtxsid8023470|85-73-4","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.599,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.806,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.62,"logWSol.Reference":"EPA-CCD-OPERA","MP":272.9,"MP.Reference":"EPA-CCD-OPERA","MW":403.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85-73-4"}
{"Compound":"Dibucaine","CAS":"85-79-0","CAS.Checksum":true,"DTXSID":"DTXSID3045271","Formula":"C20H29N3O2","All.Compound.Names":"Dibucaine|Dtxsid3045271|85-79-0","logHenry":-7.56,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.4,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.982,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.805,"logWSol.Reference":"EPA-CCD-OPERA","MP":107.1,"MP.Reference":"EPA-CCD-OPERA","MW":343.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85-79-0"}
{"Compound":"C.i. solvent red 24","CAS":"85-83-6","CAS.Checksum":true,"DTXSID":"DTXSID8041743","Formula":"C24H20N4O","All.Compound.Names":"C.i. solvent red 24|Dtxsid8041743|85-83-6","logHenry":-8.516,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.915,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.608,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.074,"logWSol.Reference":"EPA-CCD-OPERA","MP":184,"MP.Reference":"EPA-CCD-OPERA","MW":380.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85-83-6"}
{"Compound":"Methylchromone","CAS":"85-90-5","CAS.Checksum":true,"DTXSID":"DTXSID4057845","Formula":"C10H8O2","All.Compound.Names":"Methylchromone|Dtxsid4057845","logHenry":-5.809,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.452,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.304,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.017,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.88,"MP.Reference":"EPA-CCD-OPERA","MW":160.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85-90-5"}
{"Compound":"N,n'-diethylcarbanilide","CAS":"85-98-3","CAS.Checksum":true,"DTXSID":"DTXSID8025040","Formula":"C17H20N2O","All.Compound.Names":"N,n'-diethylcarbanilide|Dtxsid8025040|85-98-3","logHenry":-8.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.08,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.333,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.506,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.8,"MP.Reference":"EPA-CCD-OPERA","MW":268.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85-98-3"}
{"Compound":"Altrenogest","CAS":"850-52-2","CAS.Checksum":true,"DTXSID":"DTXSID3048863","Formula":"C21H26O2","All.Compound.Names":"Altrenogest|Dtxsid3048863|850-52-2","logHenry":-8.251,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.111,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.775,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.767,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.1,"MP.Reference":"EPA-CCD-OPERA","MW":310.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"850-52-2"}
{"Compound":"2-[2,5-dimethoxy-4-(propylsulfanyl)phenyl]ethanamine hydrochloride","CAS":"850140-15-7","CAS.Checksum":true,"DTXSID":"DTXSID2048878","Formula":"C13H22ClNO2S","All.Compound.Names":"2-[2,5-dimethoxy-4-(propylsulfanyl)phenyl]ethanamine hydrochloride|2,5-dimethoxy-4-propylthiophenethylamine hydrochloride|Dtxsid2048878|850140-15-7","logHenry":-8.907,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3781,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.8,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.058,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.8,"MP.Reference":"EPA-CCD-OPERA","MW":291.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"850140-15-7"}
{"Compound":"1-methyl-3-propylimidazolium bromide","CAS":"85100-76-1","CAS.Checksum":true,"DTXSID":"DTXSID0049361","Formula":"C7H15BrN2","All.Compound.Names":"1-methyl-3-propylimidazolium bromide|Dtxsid0049361|85100-76-1","logHenry":-4.97,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.82,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.546,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.502,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.5,"MP.Reference":"EPA-CCD-OPERA","MW":207.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85100-76-1"}
{"Compound":"1-butyl-3-methylimidazolium bromide","CAS":"85100-77-2","CAS.Checksum":true,"DTXSID":"DTXSID5049362","Formula":"C8H17BrN2","All.Compound.Names":"1-butyl-3-methylimidazolium bromide|Dtxsid5049362|85100-77-2","logHenry":-4.758,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.373,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.828,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.741,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.4,"MP.Reference":"EPA-CCD-OPERA","MW":221.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85100-77-2"}
{"Compound":"1-hexyl-3-methylimidazolium bromide","CAS":"85100-78-3","CAS.Checksum":true,"DTXSID":"DTXSID8047925","Formula":"C10H19BrN2","All.Compound.Names":"1-hexyl-3-methylimidazolium bromide|Dtxsid8047925|85100-78-3","logHenry":-2.979,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.171,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.978,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.974,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.9,"MP.Reference":"EPA-CCD-OPERA","MW":247.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85100-78-3"}
{"Compound":"Tropanyl 3,5-dimethylbenzoate","CAS":"85181-40-4","CAS.Checksum":true,"DTXSID":"DTXSID0042618","Formula":"C17H23NO2","All.Compound.Names":"Tropanyl 3,5-dimethylbenzoate|Dtxsid0042618|85181-40-4","logHenry":-6.9,"logHenry.Reference":"OPERA29","logP":2.63,"logP.Reference":"OPERA29","logWSol":-3.69,"logWSol.Reference":"OPERA29","MP":54,"MP.Reference":"OPERA29","MW":273.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85181-40-4"}
{"Compound":"Mk-812","CAS":"851916-42-2","CAS.Checksum":true,"DTXSID":"DTXSID4047335","Formula":"C28H40F3N3O7","All.Compound.Names":"Mk-812|Dtxsid4047335|851916-42-2","logHenry":-7.259,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6736,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.675,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.71,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.7,"MP.Reference":"EPA-CCD-OPERA","MW":587.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"851916-42-2"}
{"Compound":"(3,5-dimethyl-1h-pyrazol-1-yl)methanol","CAS":"85264-33-1","CAS.Checksum":true,"DTXSID":"DTXSID1032513","Formula":"C6H10N2O","All.Compound.Names":"(3,5-dimethyl-1h-pyrazol-1-yl)methanol|Dtxsid1032513|85264-33-1","logHenry":-6.757,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3338,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.605,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.768,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.99,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85264-33-1"}
{"Compound":"Dehydroepiandrosterone acetate","CAS":"853-23-6","CAS.Checksum":true,"DTXSID":"DTXSID3020380","Formula":"C21H30O3","All.Compound.Names":"Dehydroepiandrosterone acetate|Dehydroepiandrosterone 3-acetate|Dtxsid3020380","logHenry":-6.214,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.076,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.629,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.465,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.2,"MP.Reference":"EPA-CCD-OPERA","MW":330.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"853-23-6"}
{"Compound":"Pinacidil monohydrate","CAS":"85371-64-8","CAS.Checksum":true,"DTXSID":"DTXSID4045682","Formula":"C13H21N5O","All.Compound.Names":"Pinacidil monohydrate|Dtxsid4045682|85371-64-8","logHenry":-9.269,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.611,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.574,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.591,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.15,"MP.Reference":"EPA-CCD-OPERA","MW":263.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85371-64-8"}
{"Compound":"1,1'-oxybis(2,3,4,5-tetrabromobenzene)","CAS":"85446-17-9","CAS.Checksum":true,"DTXSID":"DTXSID9047548","Formula":"C12H2Br8O","All.Compound.Names":"1,1'-oxybis(2,3,4,5-tetrabromobenzene)|Dtxsid9047548","logHenry":-2.484,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.393,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.289,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.85,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.2,"MP.Reference":"EPA-CCD-OPERA","MW":801.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85446-17-9"}
{"Compound":"Gusperimus trihydrochloride","CAS":"85468-01-5","CAS.Checksum":true,"DTXSID":"DTXSID0048761","Formula":"C17H40Cl3N7O3","All.Compound.Names":"Gusperimus trihydrochloride|Dtxsid0048761|85468-01-5","logHenry":-9.092,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.336,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.235,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.786,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.8,"MP.Reference":"EPA-CCD-OPERA","MW":496.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85468-01-5"}
{"Compound":"Phthalic acid, diundecyl ester, branched and linear","CAS":"85507-79-5","CAS.Checksum":true,"DTXSID":"DTXSID4029565","All.Compound.Names":"Phthalic acid, diundecyl ester, branched and linear|1,2-benzenedicarboxylic acid, diundecyl ester, branched and linear","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85507-79-5"}
{"Compound":"1-butyl-3-methylpyridinium trifluoromethanesulfonate","CAS":"857841-32-8","CAS.Checksum":true,"DTXSID":"DTXSID0049363","Formula":"C11H16F3NO3S","All.Compound.Names":"1-butyl-3-methylpyridinium trifluoromethanesulfonate|Dtxsid0049363|857841-32-8","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7496,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.743,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.177,"logWSol.Reference":"EPA-CCD-OPERA","MP":159,"MP.Reference":"EPA-CCD-OPERA","MW":299.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"857841-32-8"}
{"Compound":"(-)-quinpirole hydrochloride","CAS":"85798-08-9","CAS.Checksum":true,"DTXSID":"DTXSID8045519","Formula":"C13H22ClN3","All.Compound.Names":"(-)-quinpirole hydrochloride|Quinpirole hydrochloride|Dtxsid8045519|85798-08-9","logHenry":-5.983,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4466,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.83,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.998,"logWSol.Reference":"EPA-CCD-OPERA","MP":157,"MP.Reference":"EPA-CCD-OPERA","MW":255.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85798-08-9"}
{"Compound":"Indomethacin farnesil","CAS":"85801-02-1","CAS.Checksum":true,"DTXSID":"DTXSID9057844","Formula":"C34H40ClNO4","All.Compound.Names":"Indomethacin farnesil|Dtxsid9057844|85801-02-1","logHenry":-7.343,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.929,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.745,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.248,"logWSol.Reference":"EPA-CCD-OPERA","MP":111.2,"MP.Reference":"EPA-CCD-OPERA","MW":562.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85801-02-1"}
{"Compound":"Cefaloram","CAS":"859-07-4","CAS.Checksum":true,"DTXSID":"DTXSID9046106","Formula":"C18H18N2O6S","All.Compound.Names":"Cefaloram|Dtxsid9046106|859-07-4","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2003,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.39,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.987,"logWSol.Reference":"EPA-CCD-OPERA","MP":180,"MP.Reference":"EPA-CCD-OPERA","MW":390.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"859-07-4"}
{"Compound":"Lincomycin hydrochloride","CAS":"859-18-7","CAS.Checksum":true,"DTXSID":"DTXSID7047803","Formula":"C18H35ClN2O6S","All.Compound.Names":"Lincomycin hydrochloride|Dtxsid7047803|859-18-7","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.222,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.266,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.639,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.6,"MP.Reference":"EPA-CCD-OPERA","MW":443,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"859-18-7"}
{"Compound":"2-nitro-1,1'-biphenyl","CAS":"86-00-0","CAS.Checksum":true,"DTXSID":"DTXSID9025746","Formula":"C12H9NO2","All.Compound.Names":"2-nitro-1,1'-biphenyl|Dtxsid9025746","logHenry":-5.047,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.771,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.482,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.234,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.89,"MP.Reference":"EPA-CCD-OPERA","MW":199.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86-00-0"}
{"Compound":"Thenalidine","CAS":"86-12-4","CAS.Checksum":true,"DTXSID":"DTXSID1048835","Formula":"C17H22N2S","All.Compound.Names":"Thenalidine|Dtxsid1048835|86-12-4","logHenry":-5.156,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.572,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.026,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.811,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.99,"MP.Reference":"EPA-CCD-OPERA","MW":286.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86-12-4"}
{"Compound":"Benztropine","CAS":"86-13-5","CAS.Checksum":true,"DTXSID":"DTXSID9022659","Formula":"C21H25NO","All.Compound.Names":"Benztropine|86-13-5|Dtxsid9022659","logHenry":-5.936,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.024,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.61,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.699,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.6,"MP.Reference":"EPA-CCD-OPERA","MW":307.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.29,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"86-13-5"}
{"Compound":"4-(2,5-diethoxy-4-nitrophenyl)morpholine","CAS":"86-16-8","CAS.Checksum":true,"DTXSID":"DTXSID0044737","Formula":"C14H20N2O5","All.Compound.Names":"4-(2,5-diethoxy-4-nitrophenyl)morpholine|Dtxsid0044737|86-16-8","logHenry":-5.195,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.004,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.146,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.845,"logWSol.Reference":"EPA-CCD-OPERA","MP":122.5,"MP.Reference":"EPA-CCD-OPERA","MW":296.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86-16-8"}
{"Compound":"9-ethyl-3-nitro-9h-carbazole","CAS":"86-20-4","CAS.Checksum":true,"DTXSID":"DTXSID0044995","Formula":"C14H12N2O2","All.Compound.Names":"9-ethyl-3-nitro-9h-carbazole|Dtxsid0044995|86-20-4","logHenry":-5.837,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.699,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.18,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.163,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.37,"MP.Reference":"EPA-CCD-OPERA","MW":240.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86-20-4"}
{"Compound":"9-ethylcarbazole","CAS":"86-28-2","CAS.Checksum":true,"DTXSID":"DTXSID1052585","Formula":"C14H13N","All.Compound.Names":"9-ethylcarbazole|Dtxsid1052585|86-28-2","logHenry":-3.914,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.488,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.042,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.823,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.02,"MP.Reference":"EPA-CCD-OPERA","MW":195.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86-28-2"}
{"Compound":"Diphenylacetonitrile","CAS":"86-29-3","CAS.Checksum":true,"DTXSID":"DTXSID4020539","Formula":"C14H11N","All.Compound.Names":"Diphenylacetonitrile|Dtxsid4020539","logHenry":-4.071,"logHenry.Reference":"EPA-CCD-OPERA","logP":3,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.435,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.951,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.17,"MP.Reference":"EPA-CCD-OPERA","MW":193.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86-29-3"}
{"Compound":"Phensuximide","CAS":"86-34-0","CAS.Checksum":true,"DTXSID":"DTXSID4023460","Formula":"C11H11NO2","All.Compound.Names":"Phensuximide|Dtxsid4023460|86-34-0","logHenry":-5.875,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8762,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.921,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.379,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.84,"MP.Reference":"EPA-CCD-OPERA","MW":189.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86-34-0"}
{"Compound":"Ethotoin","CAS":"86-35-1","CAS.Checksum":true,"DTXSID":"DTXSID6023020","Formula":"C11H12N2O2","All.Compound.Names":"Ethotoin|Dtxsid6023020|86-35-1","logHenry":-8.494,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.051,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.346,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.156,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.1,"MP.Reference":"EPA-CCD-OPERA","MW":204.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86-35-1"}
{"Compound":"1-nitronaphthalene","CAS":"86-57-7","CAS.Checksum":true,"DTXSID":"DTXSID7020978","Formula":"C10H7NO2","All.Compound.Names":"1-nitronaphthalene|Dtxsid7020978","logHenry":-5.755,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.17,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.604,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.03,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.09,"MP.Reference":"EPA-CCD-OPERA","MW":173.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86-57-7"}
{"Compound":"Carbazole","CAS":"86-74-8","CAS.Checksum":true,"DTXSID":"DTXSID4020248","Formula":"C12H9N","All.Compound.Names":"Carbazole|Dtxsid4020248|86-74-8","logHenry":-6.936,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.598,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.533,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.064,"logWSol.Reference":"EPA-CCD-OPERA","MP":245.4,"MP.Reference":"EPA-CCD-OPERA","MW":167.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86-74-8"}
{"Compound":"Benzoxiquine","CAS":"86-75-9","CAS.Checksum":true,"DTXSID":"DTXSID5046069","Formula":"C16H11NO2","All.Compound.Names":"Benzoxiquine|Dtxsid5046069|86-75-9","logHenry":-8.234,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.988,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.628,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.729,"logWSol.Reference":"EPA-CCD-OPERA","MP":119,"MP.Reference":"EPA-CCD-OPERA","MW":249.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86-75-9"}
{"Compound":"1-naphthaleneacetamide","CAS":"86-86-2","CAS.Checksum":true,"DTXSID":"DTXSID3020914","Formula":"C12H11NO","All.Compound.Names":"1-naphthaleneacetamide|Dtxsid3020914|86-86-2","logHenry":-8.694,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9768,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.595,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.358,"logWSol.Reference":"EPA-CCD-OPERA","MP":184,"MP.Reference":"EPA-CCD-OPERA","MW":185.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86-86-2"}
{"Compound":"1-naphthaleneacetic acid","CAS":"86-87-3","CAS.Checksum":true,"DTXSID":"DTXSID8020915","Formula":"C12H10O2","All.Compound.Names":"1-naphthaleneacetic acid|Dtxsid8020915|86-87-3","logHenry":-7.933,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.243,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.41,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.995,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.9,"MP.Reference":"EPA-CCD-OPERA","MW":186.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86-87-3"}
{"Compound":"1-(1-naphthyl)-2-thiourea","CAS":"86-88-4","CAS.Checksum":true,"DTXSID":"DTXSID8020919","Formula":"C11H10N2S","All.Compound.Names":"1-(1-naphthyl)-2-thiourea|Dtxsid8020919|86-88-4","logHenry":-9.074,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.649,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.497,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.527,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.9,"MP.Reference":"EPA-CCD-OPERA","MW":202.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"13.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86-88-4"}
{"Compound":"4,7-dichloroquinoline","CAS":"86-98-6","CAS.Checksum":true,"DTXSID":"DTXSID0052590","Formula":"C9H5Cl2N","All.Compound.Names":"4,7-dichloroquinoline|Dtxsid0052590|86-98-6","logHenry":-3.846,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.568,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.496,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.6,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.01,"MP.Reference":"EPA-CCD-OPERA","MW":198,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86-98-6"}
{"Compound":"C.i. acid blue 74","CAS":"860-22-0","CAS.Checksum":true,"DTXSID":"DTXSID1020190","Formula":"C16H8N2Na2O8S2","All.Compound.Names":"C.i. acid blue 74|Dtxsid1020190|860-22-0","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9624,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.421,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7828,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.5,"MP.Reference":"EPA-CCD-OPERA","MW":466.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"860-22-0"}
{"Compound":"Tridecylamine, branched and linear","CAS":"86089-17-0","CAS.Checksum":true,"DTXSID":"DTXSID3029815","All.Compound.Names":"Tridecylamine, branched and linear","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86089-17-0"}
{"Compound":"Dopexamine","CAS":"86197-47-9","CAS.Checksum":true,"DTXSID":"DTXSID2048666","Formula":"C22H32N2O2","All.Compound.Names":"Dopexamine|Dtxsid2048666|86197-47-9","logHenry":-9.924,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.584,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.839,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.967,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.6,"MP.Reference":"EPA-CCD-OPERA","MW":356.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.31","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86197-47-9"}
{"Compound":"Ave9423","CAS":"862243-29-6","CAS.Checksum":true,"DTXSID":"DTXSID0047375","Formula":"C23H12Cl2F2N2O5","All.Compound.Names":"Ave9423|Dtxsid0047375|862243-29-6","logHenry":-9,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.275,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.169,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.821,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.3,"MP.Reference":"EPA-CCD-OPERA","MW":505.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"862243-29-6"}
{"Compound":"Menatetrenone","CAS":"863-61-6","CAS.Checksum":true,"DTXSID":"DTXSID6048969","Formula":"C31H40O2","All.Compound.Names":"Menatetrenone|Dtxsid6048969","logHenry":-5.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.292,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.387,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.685,"logWSol.Reference":"EPA-CCD-OPERA","MP":133,"MP.Reference":"EPA-CCD-OPERA","MW":444.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"863-61-6"}
{"Compound":"Cefodizime sodium","CAS":"86329-79-5","CAS.Checksum":true,"DTXSID":"DTXSID9046730","Formula":"C20H18N6Na2O7S4","All.Compound.Names":"Cefodizime sodium|Dtxsid9046730|86329-79-5","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6012,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.919,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.973,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.7,"MP.Reference":"EPA-CCD-OPERA","MW":628.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86329-79-5"}
{"Compound":"Medetomidine hydrochloride","CAS":"86347-15-1","CAS.Checksum":true,"DTXSID":"DTXSID3045691","Formula":"C13H17ClN2","All.Compound.Names":"Medetomidine hydrochloride|Dtxsid3045691|86347-15-1","logHenry":-6.331,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1978,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.167,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.2,"MP.Reference":"EPA-CCD-OPERA","MW":236.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86347-15-1"}
{"Compound":"Fluoroquinolonic acid","CAS":"86393-33-1","CAS.Checksum":true,"DTXSID":"DTXSID9057846","Formula":"C13H9ClFNO3","All.Compound.Names":"Fluoroquinolonic acid|Dtxsid9057846|86393-33-1","logHenry":-8.708,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.994,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.65,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.302,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.9,"MP.Reference":"EPA-CCD-OPERA","MW":281.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86393-33-1"}
{"Compound":"Ecabet sodium","CAS":"86408-72-2","CAS.Checksum":true,"DTXSID":"DTXSID4057847","Formula":"C20H27NaO5S","All.Compound.Names":"Ecabet sodium|Dtxsid4057847|86408-72-2","logHenry":-9.651,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.496,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.934,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.016,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.9,"MP.Reference":"EPA-CCD-OPERA","MW":402.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86408-72-2"}
{"Compound":"Gsk232420a","CAS":"864283-48-7","CAS.Checksum":true,"DTXSID":"DTXSID1047312","Formula":"C12H9F6N3O","All.Compound.Names":"Gsk232420a|Dtxsid1047312|864283-48-7","logHenry":-10.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.818,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.585,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.075,"logWSol.Reference":"EPA-CCD-OPERA","MP":178,"MP.Reference":"EPA-CCD-OPERA","MW":325.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"864283-48-7"}
{"Compound":"Hexaflumuron","CAS":"86479-06-3","CAS.Checksum":true,"DTXSID":"DTXSID3032620","Formula":"C16H8Cl2F6N2O3","All.Compound.Names":"Hexaflumuron|Dtxsid3032620|86479-06-3","logHenry":-11.21,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.677,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.832,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.23,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.5,"MP.Reference":"EPA-CCD-OPERA","MW":461.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.2","Human.Clint.Reference":"Black 2021","Chemical.Class":"PFAS","_row":"86479-06-3"}
{"Compound":"Setoperone","CAS":"86487-64-1","CAS.Checksum":true,"DTXSID":"DTXSID9057848","Formula":"C21H24FN3O2S","All.Compound.Names":"Setoperone|Dtxsid9057848|86487-64-1","logHenry":-8.052,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.289,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.4,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.374,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.9,"MP.Reference":"EPA-CCD-OPERA","MW":401.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86487-64-1"}
{"Compound":"Perfluoro compounds, c5-18","CAS":"86508-42-1","CAS.Checksum":true,"DTXSID":"DTXSID5029059","All.Compound.Names":"Perfluoro compounds, c5-18","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"86508-42-1"}
{"Compound":"Benazepril hydrochloride","CAS":"86541-74-4","CAS.Checksum":true,"DTXSID":"DTXSID9045922","Formula":"C24H29ClN2O5","All.Compound.Names":"Benazepril hydrochloride|Dtxsid9045922|86541-74-4","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.067,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.559,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.132,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.6,"MP.Reference":"EPA-CCD-OPERA","MW":461,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86541-74-4"}
{"Compound":"Acetic acid, (diethoxyphosphinyl)-, ethyl ester","CAS":"867-13-0","CAS.Checksum":true,"DTXSID":"DTXSID4041573","Formula":"C8H17O5P","All.Compound.Names":"Acetic acid, (diethoxyphosphinyl)-, ethyl ester|Triethyl phosphonoacetate|Dtxsid4041573","logHenry":-8.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5128,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.039,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3612,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.26,"MP.Reference":"EPA-CCD-OPERA","MW":224.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"867-13-0"}
{"Compound":"Sodium pantothenate","CAS":"867-81-2","CAS.Checksum":true,"DTXSID":"DTXSID4047173","Formula":"C9H16NNaO5","All.Compound.Names":"Sodium pantothenate|Dtxsid4047173|867-81-2","logHenry":-9.388,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.348,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.753,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6572,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.2,"MP.Reference":"EPA-CCD-OPERA","MW":241.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.29","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"867-81-2"}
{"Compound":"Aranidipine","CAS":"86780-90-7","CAS.Checksum":true,"DTXSID":"DTXSID9048649","Formula":"C19H20N2O7","All.Compound.Names":"Aranidipine|Dtxsid9048649|86780-90-7","logHenry":-7.878,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.919,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.421,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.048,"logWSol.Reference":"EPA-CCD-OPERA","MP":152,"MP.Reference":"EPA-CCD-OPERA","MW":388.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86780-90-7"}
{"Compound":"Methyl 2-methylbutyrate","CAS":"868-57-5","CAS.Checksum":true,"DTXSID":"DTXSID1052587","Formula":"C6H12O2","All.Compound.Names":"Methyl 2-methylbutyrate|Dtxsid1052587","logHenry":-3.467,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.912,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.29,"logWSol.Reference":"EPA-CCD-OPERA","MP":-92.76,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"868-57-5"}
{"Compound":"Ethyl l-cysteinate hydrochloride","CAS":"868-59-7","CAS.Checksum":true,"DTXSID":"DTXSID4046527","Formula":"C5H12ClNO2S","All.Compound.Names":"Ethyl l-cysteinate hydrochloride|Dtxsid4046527|868-59-7","logHenry":-8.32,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.552,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.321,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9006,"logWSol.Reference":"EPA-CCD-OPERA","MP":124,"MP.Reference":"EPA-CCD-OPERA","MW":185.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.27","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"868-59-7"}
{"Compound":"2-hydroxyethyl methacrylate","CAS":"868-77-9","CAS.Checksum":true,"DTXSID":"DTXSID7022128","Formula":"C6H10O3","All.Compound.Names":"2-hydroxyethyl methacrylate|Dtxsid7022128|868-77-9","logHenry":-7.114,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.469,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.452,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.109,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.17,"MP.Reference":"EPA-CCD-OPERA","MW":130.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"868-77-9"}
{"Compound":"Dimethyl hydrogen phosphite","CAS":"868-85-9","CAS.Checksum":true,"DTXSID":"DTXSID5020493","Formula":"C2H7O3P","All.Compound.Names":"Dimethyl hydrogen phosphite|Dimethyl phosphonate|Dtxsid5020493","logHenry":-6.995,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4343,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.274,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2529,"logWSol.Reference":"EPA-CCD-OPERA","MP":-60.01,"MP.Reference":"EPA-CCD-OPERA","MW":110,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"868-85-9"}
{"Compound":"Fluazuron","CAS":"86811-58-7","CAS.Checksum":true,"DTXSID":"DTXSID1046556","Formula":"C20H10Cl2F5N3O3","All.Compound.Names":"Fluazuron|Dtxsid1046556|86811-58-7","logHenry":-10.97,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.101,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.537,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.402,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.7,"MP.Reference":"EPA-CCD-OPERA","MW":506.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.98","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86811-58-7"}
{"Compound":"Carumonam sodium","CAS":"86832-68-0","CAS.Checksum":true,"DTXSID":"DTXSID1046712","Formula":"C12H12N6Na2O10S2","All.Compound.Names":"Carumonam sodium|Dtxsid1046712|86832-68-0","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.998,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.5,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.225,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.3,"MP.Reference":"EPA-CCD-OPERA","MW":510.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86832-68-0"}
{"Compound":"Ethanamine, 2-chloro-n,n-diethyl-, hydrochloride","CAS":"869-24-9","CAS.Checksum":true,"DTXSID":"DTXSID1029203","Formula":"C6H15Cl2N","All.Compound.Names":"Ethanamine, 2-chloro-n,n-diethyl-, hydrochloride|1-chloro-2-(diethylamine)ethane hydrochloride|Dtxsid1029203|869-24-9","logHenry":-5.193,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.852,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.854,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.496,"logWSol.Reference":"EPA-CCD-OPERA","MP":208.9,"MP.Reference":"EPA-CCD-OPERA","MW":172.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"869-24-9"}
{"Compound":"Dl-homatropine","CAS":"87-00-3","CAS.Checksum":true,"DTXSID":"DTXSID6044014","Formula":"C16H21NO3","All.Compound.Names":"Dl-homatropine|Dtxsid6044014|87-00-3","logHenry":-9.502,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.557,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.331,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.144,"logWSol.Reference":"EPA-CCD-OPERA","MP":99.58,"MP.Reference":"EPA-CCD-OPERA","MW":275.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.95","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-00-3"}
{"Compound":"7-(dimethylamino)-4-methylcoumarin","CAS":"87-01-4","CAS.Checksum":true,"DTXSID":"DTXSID6041422","Formula":"C12H13NO2","All.Compound.Names":"7-(dimethylamino)-4-methylcoumarin|Dtxsid6041422|87-01-4","logHenry":-5.949,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.963,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.609,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.661,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.7,"MP.Reference":"EPA-CCD-OPERA","MW":203.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-01-4"}
{"Compound":"7-amino-4-hydroxynaphthalene-2-sulfonic acid","CAS":"87-02-5","CAS.Checksum":true,"DTXSID":"DTXSID7026520","Formula":"C10H9NO4S","All.Compound.Names":"7-amino-4-hydroxynaphthalene-2-sulfonic acid|Dtxsid7026520|87-02-5","logHenry":-9.72,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5744,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.634,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.704,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.1,"MP.Reference":"EPA-CCD-OPERA","MW":239.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-02-5"}
{"Compound":"Tribromsalan","CAS":"87-10-5","CAS.Checksum":true,"DTXSID":"DTXSID4026181","Formula":"C13H8Br3NO2","All.Compound.Names":"Tribromsalan|Dtxsid4026181","logHenry":-9.44,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.092,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.312,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.478,"logWSol.Reference":"EPA-CCD-OPERA","MP":226.9,"MP.Reference":"EPA-CCD-OPERA","MW":449.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-10-5"}
{"Compound":"Diethyl ethoxymethylenemalonate","CAS":"87-13-8","CAS.Checksum":true,"DTXSID":"DTXSID5052591","Formula":"C10H16O5","All.Compound.Names":"Diethyl ethoxymethylenemalonate|Dtxsid5052591","logHenry":-7.534,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.001,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.793,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.976,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.9799,"MP.Reference":"EPA-CCD-OPERA","MW":216.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-13-8"}
{"Compound":"Salicylanilide","CAS":"87-17-2","CAS.Checksum":true,"DTXSID":"DTXSID7021784","Formula":"C13H11NO2","All.Compound.Names":"Salicylanilide|Dtxsid7021784","logHenry":-9.713,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.269,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.153,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.59,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.6,"MP.Reference":"EPA-CCD-OPERA","MW":213.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-17-2"}
{"Compound":"4-tert-butylphenyl salicylate","CAS":"87-18-3","CAS.Checksum":true,"DTXSID":"DTXSID9037745","Formula":"C17H18O3","All.Compound.Names":"4-tert-butylphenyl salicylate|Dtxsid9037745|87-18-3","logHenry":-9.349,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.984,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.262,"logWSol.Reference":"EPA-CCD-OPERA","MP":62,"MP.Reference":"EPA-CCD-OPERA","MW":270.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-18-3"}
{"Compound":"Isobutyl salicylate","CAS":"87-19-4","CAS.Checksum":true,"DTXSID":"DTXSID3047186","Formula":"C11H14O3","All.Compound.Names":"Isobutyl salicylate|Dtxsid3047186|87-19-4","logHenry":-7.943,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.407,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.991,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.364,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.213,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-19-4"}
{"Compound":"Ethyl 2-methylbenzoate","CAS":"87-24-1","CAS.Checksum":true,"DTXSID":"DTXSID4040711","Formula":"C10H12O2","All.Compound.Names":"Ethyl 2-methylbenzoate|Dtxsid4040711","logHenry":-4.617,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.621,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.592,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.653,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.49,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-24-1"}
{"Compound":"Ethyl anthranilate","CAS":"87-25-2","CAS.Checksum":true,"DTXSID":"DTXSID6025272","Formula":"C9H11NO2","All.Compound.Names":"Ethyl anthranilate|Dtxsid6025272|87-25-2","logHenry":-8.676,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.566,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.823,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.33,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.5,"MP.Reference":"EPA-CCD-OPERA","MW":165.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-25-2"}
{"Compound":"2-(1-methylbutyl)phenol","CAS":"87-26-3","CAS.Checksum":true,"DTXSID":"DTXSID8041452","Formula":"C11H16O","All.Compound.Names":"2-(1-methylbutyl)phenol|Dtxsid8041452|87-26-3","logHenry":-6.227,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.632,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.103,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.582,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.46,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-26-3"}
{"Compound":"2-hydroxyethyl salicylate","CAS":"87-28-5","CAS.Checksum":true,"DTXSID":"DTXSID4048987","Formula":"C9H10O4","All.Compound.Names":"2-hydroxyethyl salicylate|Dtxsid4048987|87-28-5","logHenry":-9.409,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.254,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.668,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.159,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.41,"MP.Reference":"EPA-CCD-OPERA","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-28-5"}
{"Compound":"Cinnamyl anthranilate","CAS":"87-29-6","CAS.Checksum":true,"DTXSID":"DTXSID3020330","Formula":"C16H15NO2","All.Compound.Names":"Cinnamyl anthranilate|Dtxsid3020330|87-29-6","logHenry":-9.475,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.286,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.338,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.012,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.11,"MP.Reference":"EPA-CCD-OPERA","MW":253.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-29-6"}
{"Compound":"Phthalide","CAS":"87-41-2","CAS.Checksum":true,"DTXSID":"DTXSID0052594","Formula":"C8H6O2","All.Compound.Names":"Phthalide|Dtxsid0052594","logHenry":-7.268,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.802,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.764,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.085,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.26,"MP.Reference":"EPA-CCD-OPERA","MW":134.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-41-2"}
{"Compound":"Beta-caryophyllene","CAS":"87-44-5","CAS.Checksum":true,"DTXSID":"DTXSID8024739","Formula":"C15H24","All.Compound.Names":"Beta-caryophyllene|Dtxsid8024739|(-)-(e)-caryophyllene","logHenry":-2.008,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.227,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.677,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.912,"logWSol.Reference":"EPA-CCD-OPERA","MP":-72.03,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-44-5"}
{"Compound":"Indole-3-acetic acid","CAS":"87-51-4","CAS.Checksum":true,"DTXSID":"DTXSID5020738","Formula":"C10H9NO2","All.Compound.Names":"Indole-3-acetic acid|Dtxsid5020738|87-51-4","logHenry":-8.088,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.411,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.725,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.068,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.5,"MP.Reference":"EPA-CCD-OPERA","MW":175.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"14.1,6.27,31.8","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"87-51-4"}
{"Compound":"(2z)-2,3-dichloro-4-oxobut-2-enoic acid","CAS":"87-56-9","CAS.Checksum":true,"DTXSID":"DTXSID7020423","Formula":"C4H2Cl2O3","All.Compound.Names":"(2z)-2,3-dichloro-4-oxobut-2-enoic acid|Mucochloric acid|Dtxsid7020423|87-56-9","logHenry":-6.487,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1289,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.581,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7883,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.9,"MP.Reference":"EPA-CCD-OPERA","MW":169,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-56-9"}
{"Compound":"2,3-dimethylaniline","CAS":"87-59-2","CAS.Checksum":true,"DTXSID":"DTXSID3026304","Formula":"C8H11N","All.Compound.Names":"2,3-dimethylaniline|2,3-xylidine|Dtxsid3026304|87-59-2","logHenry":-5.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.804,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.672,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.536,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.448,"MP.Reference":"EPA-CCD-OPERA","MW":121.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-59-2"}
{"Compound":"3-chloro-2-methylaniline","CAS":"87-60-5","CAS.Checksum":true,"DTXSID":"DTXSID3024815","Formula":"C7H8ClN","All.Compound.Names":"3-chloro-2-methylaniline|Dtxsid3024815|87-60-5","logHenry":-6.277,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.081,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.376,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.472,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.945,"MP.Reference":"EPA-CCD-OPERA","MW":141.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-60-5"}
{"Compound":"2,6-dichlorophenol","CAS":"87-65-0","CAS.Checksum":true,"DTXSID":"DTXSID2025004","Formula":"C6H4Cl2O","All.Compound.Names":"2,6-dichlorophenol|Dtxsid2025004|87-65-0","logHenry":-5.793,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.75,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.067,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.93,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.36,"MP.Reference":"EPA-CCD-OPERA","MW":163,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-65-0"}
{"Compound":"Pyrogallol","CAS":"87-66-1","CAS.Checksum":true,"DTXSID":"DTXSID6025983","Formula":"C6H6O3","All.Compound.Names":"Pyrogallol|Dtxsid6025983|87-66-1","logHenry":-7.614,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8555,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.403,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6022,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.1,"MP.Reference":"EPA-CCD-OPERA","MW":126.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-66-1"}
{"Compound":"Hexachloro-1,3-butadiene","CAS":"87-68-3","CAS.Checksum":true,"DTXSID":"DTXSID7020683","Formula":"C4Cl6","All.Compound.Names":"Hexachloro-1,3-butadiene|Dtxsid7020683","logHenry":-1.988,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.779,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.782,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.91,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21,"MP.Reference":"EPA-CCD-OPERA","MW":260.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-68-3"}
{"Compound":"L-(-)-sorbose","CAS":"87-79-6","CAS.Checksum":true,"DTXSID":"DTXSID1048704","Formula":"C6H12O6","All.Compound.Names":"L-(-)-sorbose|Dtxsid1048704|87-79-6","logHenry":-9.571,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.551,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.76,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6392,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.9,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-79-6"}
{"Compound":"D-tagatose","CAS":"87-81-0","CAS.Checksum":true,"DTXSID":"DTXSID3047897","Formula":"C6H12O6","All.Compound.Names":"D-tagatose|Dtxsid3047897|87-81-0","logHenry":-12.03,"logHenry.Reference":"OPERA29","logP":-2.7,"logP.Reference":"OPERA29","logWSol":0.15,"logWSol.Reference":"OPERA29","MP":135,"MP.Reference":"OPERA29","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-81-0"}
{"Compound":"Hexabromobenzene","CAS":"87-82-1","CAS.Checksum":true,"DTXSID":"DTXSID1024128","Formula":"C6Br6","All.Compound.Names":"Hexabromobenzene|Dtxsid1024128","logHenry":-2.5,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.068,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.187,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-9.533,"logWSol.Reference":"EPA-CCD-OPERA","MP":325.7,"MP.Reference":"EPA-CCD-OPERA","MW":551.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-82-1"}
{"Compound":"Inositol","CAS":"87-89-8","CAS.Checksum":true,"DTXSID":"DTXSID7023146","Formula":"C6H12O6","All.Compound.Names":"Inositol|Myo-inositol|Dtxsid7023146|87-89-8","logHenry":-8.052,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.44,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.9,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3498,"logWSol.Reference":"EPA-CCD-OPERA","MP":237.2,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-89-8"}
{"Compound":"Symclosene","CAS":"87-90-1","CAS.Checksum":true,"DTXSID":"DTXSID2026523","Formula":"C3Cl3N3O3","All.Compound.Names":"Symclosene|Dtxsid2026523|87-90-1","logHenry":-5.273,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.049,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.579,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.289,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.51,"MP.Reference":"EPA-CCD-OPERA","MW":232.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-90-1"}
{"Compound":"Diethyl l-tartrate","CAS":"87-91-2","CAS.Checksum":true,"DTXSID":"DTXSID5052597","Formula":"C8H14O6","All.Compound.Names":"Diethyl l-tartrate|Dtxsid5052597|87-91-2","logHenry":-9.164,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2914,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.124,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9015,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.01,"MP.Reference":"EPA-CCD-OPERA","MW":206.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-91-2"}
{"Compound":"Xylitol","CAS":"87-99-0","CAS.Checksum":true,"DTXSID":"DTXSID7042514","Formula":"C5H12O5","All.Compound.Names":"Xylitol|Dtxsid7042514|87-99-0","logHenry":-9.379,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.458,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.38,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6241,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.82,"MP.Reference":"EPA-CCD-OPERA","MW":152.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-99-0"}
{"Compound":"Sodium hydroxymethanesulfonate","CAS":"870-72-4","CAS.Checksum":true,"DTXSID":"DTXSID3027328","Formula":"CH3NaO4S","All.Compound.Names":"Sodium hydroxymethanesulfonate|Dtxsid3027328|870-72-4","logHenry":-7.467,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.383,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.467,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5254,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.1,"MP.Reference":"EPA-CCD-OPERA","MW":134.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"870-72-4"}
{"Compound":"Diethofencarb","CAS":"87130-20-9","CAS.Checksum":true,"DTXSID":"DTXSID5037527","Formula":"C14H21NO4","All.Compound.Names":"Diethofencarb|Dtxsid5037527|87130-20-9","logHenry":-9.491,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.911,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.454,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.994,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.3,"MP.Reference":"EPA-CCD-OPERA","MW":267.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87130-20-9"}
{"Compound":"Spiradoline","CAS":"87151-85-7","CAS.Checksum":true,"DTXSID":"DTXSID1048679","Formula":"C22H30Cl2N2O2","All.Compound.Names":"Spiradoline|Dtxsid1048679|87151-85-7","logHenry":-8.48,"logHenry.Reference":"OPERA29","logP":4.67,"logP.Reference":"OPERA29","logWSol":-4.9,"logWSol.Reference":"OPERA29","MP":124,"MP.Reference":"OPERA29","MW":425.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87151-85-7"}
{"Compound":"1-decene","CAS":"872-05-9","CAS.Checksum":true,"DTXSID":"DTXSID8027329","Formula":"C10H20","All.Compound.Names":"1-decene|Dtxsid8027329","logHenry":-1.162,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.698,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.39,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.435,"logWSol.Reference":"EPA-CCD-OPERA","MP":-64.15,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"872-05-9"}
{"Compound":"Pentyl sulfide","CAS":"872-10-6","CAS.Checksum":true,"DTXSID":"DTXSID8042266","Formula":"C10H22S","All.Compound.Names":"Pentyl sulfide|Dtxsid8042266","logHenry":-1.908,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.641,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.08072,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.399,"logWSol.Reference":"EPA-CCD-OPERA","MP":-51.93,"MP.Reference":"EPA-CCD-OPERA","MW":174.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"872-10-6"}
{"Compound":"1-ethylpyridinium iodide","CAS":"872-90-2","CAS.Checksum":true,"DTXSID":"DTXSID5049364","Formula":"C7H10IN","All.Compound.Names":"1-ethylpyridinium iodide|Dtxsid5049364|872-90-2","logHenry":-2.455,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.186,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.096,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.21,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.7,"MP.Reference":"EPA-CCD-OPERA","MW":235.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"872-90-2"}
{"Compound":"Emedastine difumarate","CAS":"87233-62-3","CAS.Checksum":true,"DTXSID":"DTXSID2046911","Formula":"C25H34N4O9","All.Compound.Names":"Emedastine difumarate|Dtxsid2046911|87233-62-3","logHenry":-5.062,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6765,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.02,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.338,"logWSol.Reference":"EPA-CCD-OPERA","MP":159,"MP.Reference":"EPA-CCD-OPERA","MW":534.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87233-62-3"}
{"Compound":"Cefpodoxime proxetil","CAS":"87239-81-4","CAS.Checksum":true,"DTXSID":"DTXSID1022766","Formula":"C21H27N5O9S2","All.Compound.Names":"Cefpodoxime proxetil|87239-81-4|Dtxsid1022766","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6263,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.078,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.399,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.3,"MP.Reference":"EPA-CCD-OPERA","MW":557.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.52,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"87239-81-4"}
{"Compound":"Vapiprost hydrochloride","CAS":"87248-13-3","CAS.Checksum":true,"DTXSID":"DTXSID9045689","Formula":"C30H40ClNO4","All.Compound.Names":"Vapiprost hydrochloride|Dtxsid9045689|87248-13-3","logHenry":-7.599,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.159,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.509,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.962,"logWSol.Reference":"EPA-CCD-OPERA","MP":226.5,"MP.Reference":"EPA-CCD-OPERA","MW":514.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.21","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87248-13-3"}
{"Compound":"2-chlorobenzonitrile","CAS":"873-32-5","CAS.Checksum":true,"DTXSID":"DTXSID5052593","Formula":"C7H4ClN","All.Compound.Names":"2-chlorobenzonitrile|Dtxsid5052593","logHenry":-5.347,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.172,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.65,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.437,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.61,"MP.Reference":"EPA-CCD-OPERA","MW":137.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"873-32-5"}
{"Compound":"3,3,5-trimethylcyclohexanone","CAS":"873-94-9","CAS.Checksum":true,"DTXSID":"DTXSID5044996","Formula":"C9H16O","All.Compound.Names":"3,3,5-trimethylcyclohexanone|Dtxsid5044996","logHenry":-4.078,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.104,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.326,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.135,"logWSol.Reference":"EPA-CCD-OPERA","MP":4.991,"MP.Reference":"EPA-CCD-OPERA","MW":140.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"873-94-9"}
{"Compound":"Ramipril","CAS":"87333-19-5","CAS.Checksum":true,"DTXSID":"DTXSID8023551","Formula":"C23H32N2O5","All.Compound.Names":"Ramipril|87333-19-5|Dtxsid8023551","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.007,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.521,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.686,"logWSol.Reference":"EPA-CCD-OPERA","MP":109,"MP.Reference":"EPA-CCD-OPERA","MW":416.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.28,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"87333-19-5"}
{"Compound":"S-metolachlor","CAS":"87392-12-9","CAS.Checksum":true,"DTXSID":"DTXSID6032431","Formula":"C15H22ClNO2","All.Compound.Names":"S-metolachlor|Dtxsid6032431|87392-12-9","logHenry":-8.045,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.131,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.257,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.739,"logWSol.Reference":"EPA-CCD-OPERA","MP":-49.18,"MP.Reference":"EPA-CCD-OPERA","MW":283.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87392-12-9"}
{"Compound":"Cyclohexanone,2-acetyl-","CAS":"874-23-7","CAS.Checksum":true,"DTXSID":"DTXSID0049365","Formula":"C8H12O2","All.Compound.Names":"Cyclohexanone,2-acetyl-|2-acetyl-1-cyclohexanone|Dtxsid0049365","logHenry":-5.779,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.512,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.461,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9232,"logWSol.Reference":"EPA-CCD-OPERA","MP":72,"MP.Reference":"EPA-CCD-OPERA","MW":140.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"874-23-7"}
{"Compound":"2,4-dichlorobenzaldehyde","CAS":"874-42-0","CAS.Checksum":true,"DTXSID":"DTXSID1022130","Formula":"C7H4Cl2O","All.Compound.Names":"2,4-dichlorobenzaldehyde|Dtxsid1022130","logHenry":-3.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.952,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.757,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.722,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.31,"MP.Reference":"EPA-CCD-OPERA","MW":175,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"874-42-0"}
{"Compound":"P-toluoyl chloride","CAS":"874-60-2","CAS.Checksum":true,"DTXSID":"DTXSID5052595","Formula":"C8H7ClO","All.Compound.Names":"P-toluoyl chloride|Dtxsid5052595","logHenry":-5.732,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.369,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.699,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.899,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.72,"MP.Reference":"EPA-CCD-OPERA","MW":154.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"874-60-2"}
{"Compound":"1-butylpyridinium bromide","CAS":"874-80-6","CAS.Checksum":true,"DTXSID":"DTXSID2047933","Formula":"C9H14BrN","All.Compound.Names":"1-butylpyridinium bromide|Dtxsid2047933|874-80-6","logHenry":-2.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.689,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.551,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.761,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.1,"MP.Reference":"EPA-CCD-OPERA","MW":216.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"874-80-6"}
{"Compound":"1-butylpyridinium iodide","CAS":"874-81-7","CAS.Checksum":true,"DTXSID":"DTXSID5049366","Formula":"C9H14IN","All.Compound.Names":"1-butylpyridinium iodide|Dtxsid5049366|874-81-7","logHenry":-2.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.682,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.543,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.761,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.8,"MP.Reference":"EPA-CCD-OPERA","MW":263.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"874-81-7"}
{"Compound":"P-methoxybenzonitrile","CAS":"874-90-8","CAS.Checksum":true,"DTXSID":"DTXSID0052596","Formula":"C8H7NO","All.Compound.Names":"P-methoxybenzonitrile|4-anisonitrile|Dtxsid0052596","logHenry":-6.352,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.128,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.528,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.82,"MP.Reference":"EPA-CCD-OPERA","MW":133.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"874-90-8"}
{"Compound":"Taprostene sodium salt","CAS":"87440-45-7","CAS.Checksum":true,"DTXSID":"DTXSID9049033","Formula":"C24H30NaO5","All.Compound.Names":"Taprostene sodium salt|Dtxsid9049033|87440-45-7","logHenry":-10.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.188,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.176,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.912,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.6,"MP.Reference":"EPA-CCD-OPERA","MW":421.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87440-45-7"}
{"Compound":"Monopotassium phthalate","CAS":"877-24-7","CAS.Checksum":true,"DTXSID":"DTXSID0042167","Formula":"C8H5KO4","All.Compound.Names":"Monopotassium phthalate|Dtxsid0042167|877-24-7","logHenry":-8.788,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.12,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.959,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9922,"logWSol.Reference":"EPA-CCD-OPERA","MP":224.2,"MP.Reference":"EPA-CCD-OPERA","MW":204.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"877-24-7"}
{"Compound":"Tandospirone","CAS":"87760-53-0","CAS.Checksum":true,"DTXSID":"DTXSID6048836","Formula":"C21H29N5O2","All.Compound.Names":"Tandospirone|Dtxsid6048836|87760-53-0","logHenry":-7.548,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.067,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.613,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.996,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.9,"MP.Reference":"EPA-CCD-OPERA","MW":383.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87760-53-0"}
{"Compound":"Ioversol","CAS":"87771-40-2","CAS.Checksum":true,"DTXSID":"DTXSID2045521","Formula":"C18H24I3N3O9","All.Compound.Names":"Ioversol|Dtxsid2045521|87771-40-2","logHenry":-10.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.979,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.56,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.266,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.5,"MP.Reference":"EPA-CCD-OPERA","MW":807.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87771-40-2"}
{"Compound":"Acrivastine","CAS":"87848-99-5","CAS.Checksum":true,"DTXSID":"DTXSID6022555","Formula":"C22H24N2O2","All.Compound.Names":"Acrivastine|87848-99-5|Dtxsid6022555","logHenry":-8.801,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.706,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.696,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.907,"logWSol.Reference":"EPA-CCD-OPERA","MP":165,"MP.Reference":"EPA-CCD-OPERA","MW":348.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.42","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.18,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"87848-99-5"}
{"Compound":"3-iodobenzylguanidine hemisulfate","CAS":"87862-25-7","CAS.Checksum":true,"DTXSID":"DTXSID8045773","Formula":"C16H22I2N6O4S","All.Compound.Names":"3-iodobenzylguanidine hemisulfate|Dtxsid8045773|87862-25-7","logHenry":-8.354,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6795,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.638,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.807,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.3,"MP.Reference":"EPA-CCD-OPERA","MW":648.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87862-25-7"}
{"Compound":"2,3,4,5-tetrachloronitrobenzene","CAS":"879-39-0","CAS.Checksum":true,"DTXSID":"DTXSID5026097","Formula":"C6HCl4NO2","All.Compound.Names":"2,3,4,5-tetrachloronitrobenzene|Dtxsid5026097","logHenry":-4.175,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.937,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.812,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.566,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.41,"MP.Reference":"EPA-CCD-OPERA","MW":260.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"879-39-0"}
{"Compound":"Eprobemide","CAS":"87940-60-1","CAS.Checksum":true,"DTXSID":"DTXSID3046409","Formula":"C14H19ClN2O2","All.Compound.Names":"Eprobemide|Dtxsid3046409|87940-60-1","logHenry":-8.362,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.799,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.411,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.779,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.9,"MP.Reference":"EPA-CCD-OPERA","MW":282.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87940-60-1"}
{"Compound":"1-methyl-1-propylpiperidinium tetrafluoroborate","CAS":"879866-95-2","CAS.Checksum":true,"DTXSID":"DTXSID0049367","Formula":"C9H20BF4N","All.Compound.Names":"1-methyl-1-propylpiperidinium tetrafluoroborate|Dtxsid0049367|879866-95-2","logHenry":-1.159,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7153,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.44,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8193,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.15,"MP.Reference":"EPA-CCD-OPERA","MW":229.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"879866-95-2"}
{"Compound":"4-chloro-3,5-dimethylphenol","CAS":"88-04-0","CAS.Checksum":true,"DTXSID":"DTXSID0032316","Formula":"C8H9ClO","All.Compound.Names":"4-chloro-3,5-dimethylphenol|Dtxsid0032316|88-04-0","logHenry":-6.216,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.268,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.274,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.798,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.5,"MP.Reference":"EPA-CCD-OPERA","MW":156.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-04-0"}
{"Compound":"2-ethylbutyric acid","CAS":"88-09-5","CAS.Checksum":true,"DTXSID":"DTXSID2041418","Formula":"C6H12O2","All.Compound.Names":"2-ethylbutyric acid|Dtxsid2041418|88-09-5","logHenry":-6.075,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.682,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.074,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8117,"logWSol.Reference":"EPA-CCD-OPERA","MP":-31.16,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-09-5"}
{"Compound":"Diethylcarbamoyl chloride","CAS":"88-10-8","CAS.Checksum":true,"DTXSID":"DTXSID0052598","Formula":"C5H10ClNO","All.Compound.Names":"Diethylcarbamoyl chloride|Dtxsid0052598|88-10-8","logHenry":-7.548,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1074,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.532,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6073,"logWSol.Reference":"EPA-CCD-OPERA","MP":-31.95,"MP.Reference":"EPA-CCD-OPERA","MW":135.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-10-8"}
{"Compound":"2-furancarboxylic acid","CAS":"88-14-2","CAS.Checksum":true,"DTXSID":"DTXSID6041420","Formula":"C5H4O3","All.Compound.Names":"2-furancarboxylic acid|Dtxsid6041420|88-14-2","logHenry":-6.949,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6398,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.116,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4827,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.3,"MP.Reference":"EPA-CCD-OPERA","MW":112.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-14-2"}
{"Compound":"2-chlorobenzotrifluoride","CAS":"88-16-4","CAS.Checksum":true,"DTXSID":"DTXSID9024774","Formula":"C7H4ClF3","All.Compound.Names":"2-chlorobenzotrifluoride|Dtxsid9024774","logHenry":-2.261,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.531,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3605,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.102,"logWSol.Reference":"EPA-CCD-OPERA","MP":-24.94,"MP.Reference":"EPA-CCD-OPERA","MW":180.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-16-4"}
{"Compound":"O-toluenesulfonamide","CAS":"88-19-7","CAS.Checksum":true,"DTXSID":"DTXSID7021362","Formula":"C7H9NO2S","All.Compound.Names":"O-toluenesulfonamide|Dtxsid7021362|88-19-7","logHenry":-7.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8414,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.913,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.015,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.1,"MP.Reference":"EPA-CCD-OPERA","MW":171.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-19-7"}
{"Compound":"Orthanilic acid","CAS":"88-21-1","CAS.Checksum":true,"DTXSID":"DTXSID1024463","Formula":"C6H7NO3S","All.Compound.Names":"Orthanilic acid|Dtxsid1024463|88-21-1","logHenry":-8.369,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.061,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.985,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.581,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.2,"MP.Reference":"EPA-CCD-OPERA","MW":173.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-21-1"}
{"Compound":"6-amino-4-chloro-1-phenol-2-sulfonic acid","CAS":"88-23-3","CAS.Checksum":true,"DTXSID":"DTXSID0024474","Formula":"C6H6ClNO4S","All.Compound.Names":"6-amino-4-chloro-1-phenol-2-sulfonic acid|Dtxsid0024474|88-23-3","logHenry":-7.991,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9999,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.323,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.495,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.4,"MP.Reference":"EPA-CCD-OPERA","MW":223.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-23-3"}
{"Compound":"Di-tert-butyl-4-hydroxymethyl phenol","CAS":"88-26-6","CAS.Checksum":true,"DTXSID":"DTXSID7020211","Formula":"C15H24O2","All.Compound.Names":"Di-tert-butyl-4-hydroxymethyl phenol|2,6-di-tert-butyl-4-(hydroxymethyl)phenol|Dtxsid7020211|88-26-6","logHenry":-9.075,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.276,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.888,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.754,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.1,"MP.Reference":"EPA-CCD-OPERA","MW":236.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-26-6"}
{"Compound":"2,6-di-tert-butyl-4-[(dimethylamino)methyl]phenol","CAS":"88-27-7","CAS.Checksum":true,"DTXSID":"DTXSID0044997","Formula":"C17H29NO","All.Compound.Names":"2,6-di-tert-butyl-4-[(dimethylamino)methyl]phenol|2,6-di-tert-butyl-4-dimethylamino methylphenol|Dtxsid0044997|88-27-7","logHenry":-9.038,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.028,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.756,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.87,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.37,"MP.Reference":"EPA-CCD-OPERA","MW":263.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.55","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0.2649,0.2148,0.315","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"88-27-7"}
{"Compound":"3-trifluoromethyl-4-nitrophenol","CAS":"88-30-2","CAS.Checksum":true,"DTXSID":"DTXSID7021788","Formula":"C7H4F3NO3","All.Compound.Names":"3-trifluoromethyl-4-nitrophenol|3-(trifluoromethyl)-4-nitrophenol|Dtxsid7021788|88-30-2","logHenry":-7.543,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.346,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.635,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.619,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.99,"MP.Reference":"EPA-CCD-OPERA","MW":207.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-30-2"}
{"Compound":"2-tert-butylcyclohexyl acetate","CAS":"88-41-5","CAS.Checksum":true,"DTXSID":"DTXSID3036105","Formula":"C12H22O2","All.Compound.Names":"2-tert-butylcyclohexyl acetate|Dtxsid3036105","logHenry":-3.274,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.375,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.461,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.947,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.31,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-41-5"}
{"Compound":"2-amino-5-methylbenzenesulfonic acid","CAS":"88-44-8","CAS.Checksum":true,"DTXSID":"DTXSID7026526","Formula":"C7H9NO3S","All.Compound.Names":"2-amino-5-methylbenzenesulfonic acid|Dtxsid7026526|88-44-8","logHenry":-8.373,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9555,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.909,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.626,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.4,"MP.Reference":"EPA-CCD-OPERA","MW":187.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-44-8"}
{"Compound":"2-amino-4-chloro-5-methylbenzenesulfonic acid","CAS":"88-51-7","CAS.Checksum":true,"DTXSID":"DTXSID2026527","Formula":"C7H8ClNO3S","All.Compound.Names":"2-amino-4-chloro-5-methylbenzenesulfonic acid|4-amino-6-chlorotoluene-3-sulphonic acid|Dtxsid2026527|88-51-7","logHenry":-9.303,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9895,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.112,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.192,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.1,"MP.Reference":"EPA-CCD-OPERA","MW":221.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-51-7"}
{"Compound":"2-amino-5-chloro-4-methylbenzenesulfonic acid","CAS":"88-53-9","CAS.Checksum":true,"DTXSID":"DTXSID7026528","Formula":"C7H8ClNO3S","All.Compound.Names":"2-amino-5-chloro-4-methylbenzenesulfonic acid|Dtxsid7026528|88-53-9","logHenry":-8.379,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8845,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.007,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.202,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.1,"MP.Reference":"EPA-CCD-OPERA","MW":221.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-53-9"}
{"Compound":"2,4-diaminobenzenesulfonic acid","CAS":"88-63-1","CAS.Checksum":true,"DTXSID":"DTXSID3044465","Formula":"C6H8N2O3S","All.Compound.Names":"2,4-diaminobenzenesulfonic acid|Dtxsid3044465|88-63-1","logHenry":-10.44,"logHenry.Reference":"EPA-CCD-OPERA","logP":-4.644,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.96,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.546,"logWSol.Reference":"EPA-CCD-OPERA","MP":226.9,"MP.Reference":"EPA-CCD-OPERA","MW":188.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-63-1"}
{"Compound":"2-aminobenzamide","CAS":"88-68-6","CAS.Checksum":true,"DTXSID":"DTXSID2021789","Formula":"C7H8N2O","All.Compound.Names":"2-aminobenzamide|Dtxsid2021789|88-68-6","logHenry":-8.506,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3464,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.611,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8515,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.1,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-68-6"}
{"Compound":"2-isopropylphenol","CAS":"88-69-7","CAS.Checksum":true,"DTXSID":"DTXSID2044391","Formula":"C9H12O","All.Compound.Names":"2-isopropylphenol|Dtxsid2044391|88-69-7","logHenry":-6.152,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.881,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.63,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.991,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.7,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-69-7"}
{"Compound":"2-nitrotoluene","CAS":"88-72-2","CAS.Checksum":true,"DTXSID":"DTXSID4025791","Formula":"C7H7NO2","All.Compound.Names":"2-nitrotoluene|Dtxsid4025791","logHenry":-4.907,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.3,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.246,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.329,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.582,"MP.Reference":"EPA-CCD-OPERA","MW":137.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-72-2"}
{"Compound":"1-chloro-2-nitrobenzene","CAS":"88-73-3","CAS.Checksum":true,"DTXSID":"DTXSID0020280","Formula":"C6H4ClNO2","All.Compound.Names":"1-chloro-2-nitrobenzene|Dtxsid0020280","logHenry":-5.031,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.241,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.071,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.727,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.87,"MP.Reference":"EPA-CCD-OPERA","MW":157.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-73-3"}
{"Compound":"2-nitroaniline","CAS":"88-74-4","CAS.Checksum":true,"DTXSID":"DTXSID1025726","Formula":"C6H6N2O2","All.Compound.Names":"2-nitroaniline|2-nitrobenzenamine|Dtxsid1025726|88-74-4","logHenry":-7.229,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.849,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.944,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.968,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.31,"MP.Reference":"EPA-CCD-OPERA","MW":138.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-74-4"}
{"Compound":"2-nitrophenol","CAS":"88-75-5","CAS.Checksum":true,"DTXSID":"DTXSID1021790","Formula":"C6H5NO3","All.Compound.Names":"2-nitrophenol|Dtxsid1021790|88-75-5","logHenry":-4.893,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.792,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.912,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.747,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.86,"MP.Reference":"EPA-CCD-OPERA","MW":139.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-75-5"}
{"Compound":"2,3,5-triiodobenzoic acid","CAS":"88-82-4","CAS.Checksum":true,"DTXSID":"DTXSID4041317","Formula":"C7H3I3O2","All.Compound.Names":"2,3,5-triiodobenzoic acid|Dtxsid4041317|88-82-4","logHenry":-3.57,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.782,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.859,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.818,"logWSol.Reference":"EPA-CCD-OPERA","MP":232.5,"MP.Reference":"EPA-CCD-OPERA","MW":499.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-82-4"}
{"Compound":"2,5-dichloro-3-nitrobenzoic acid","CAS":"88-86-8","CAS.Checksum":true,"DTXSID":"DTXSID3041372","Formula":"C7H3Cl2NO4","All.Compound.Names":"2,5-dichloro-3-nitrobenzoic acid|Dtxsid3041372|88-86-8","logHenry":-7.629,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.964,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.808,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.744,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.6,"MP.Reference":"EPA-CCD-OPERA","MW":236,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-86-8"}
{"Compound":"Phthalamide","CAS":"88-96-0","CAS.Checksum":true,"DTXSID":"DTXSID7021158","Formula":"C8H8N2O2","All.Compound.Names":"Phthalamide|Dtxsid7021158|88-96-0","logHenry":-9.374,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.703,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.882,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.677,"logWSol.Reference":"EPA-CCD-OPERA","MP":221.9,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-96-0"}
{"Compound":"Phthalic acid","CAS":"88-99-3","CAS.Checksum":true,"DTXSID":"DTXSID8021484","Formula":"C8H6O4","All.Compound.Names":"Phthalic acid|Dtxsid8021484|88-99-3","logHenry":-8.788,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7496,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.09,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9922,"logWSol.Reference":"EPA-CCD-OPERA","MP":270.6,"MP.Reference":"EPA-CCD-OPERA","MW":166.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-99-3"}
{"Compound":"Dipiperidinomethane","CAS":"880-09-1","CAS.Checksum":true,"DTXSID":"DTXSID5047453","Formula":"C11H22N2","All.Compound.Names":"Dipiperidinomethane|Dtxsid5047453|880-09-1","logHenry":-4.381,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.72,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.387,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9019,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.87,"MP.Reference":"EPA-CCD-OPERA","MW":182.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"880-09-1"}
{"Compound":"Pilsicainide","CAS":"88069-67-4","CAS.Checksum":true,"DTXSID":"DTXSID1046639","Formula":"C17H24N2O","All.Compound.Names":"Pilsicainide|Dtxsid1046639|88069-67-4","logHenry":-9.49,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.451,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.53,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.554,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.7,"MP.Reference":"EPA-CCD-OPERA","MW":272.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88069-67-4"}
{"Compound":"1-nitro-2-methylnaphthalene","CAS":"881-03-8","CAS.Checksum":true,"DTXSID":"DTXSID2025761","Formula":"C11H9NO2","All.Compound.Names":"1-nitro-2-methylnaphthalene|Dtxsid2025761","logHenry":-5.048,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.48,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.347,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.85,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.44,"MP.Reference":"EPA-CCD-OPERA","MW":187.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"881-03-8"}
{"Compound":"Tomelukast","CAS":"88107-10-2","CAS.Checksum":true,"DTXSID":"DTXSID7020344","Formula":"C16H22N4O3","All.Compound.Names":"Tomelukast|Dtxsid7020344|88107-10-2","logHenry":-9.068,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.817,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.414,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.687,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.9,"MP.Reference":"EPA-CCD-OPERA","MW":318.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88107-10-2"}
{"Compound":"Clofibric acid","CAS":"882-09-7","CAS.Checksum":true,"DTXSID":"DTXSID1040661","Formula":"C10H11ClO3","All.Compound.Names":"Clofibric acid|Dtxsid1040661|882-09-7","logHenry":-8.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.574,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.009,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.254,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.4,"MP.Reference":"EPA-CCD-OPERA","MW":214.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"882-09-7"}
{"Compound":"Diphenyl disulfide","CAS":"882-33-7","CAS.Checksum":true,"DTXSID":"DTXSID6022131","Formula":"C12H10S2","All.Compound.Names":"Diphenyl disulfide|Dtxsid6022131","logHenry":-3.613,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.41,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.794,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.77,"logWSol.Reference":"EPA-CCD-OPERA","MP":62,"MP.Reference":"EPA-CCD-OPERA","MW":218.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"882-33-7"}
{"Compound":"1-butyl-4-methylpyridinium trifluoromethanesulfonate","CAS":"882172-79-4","CAS.Checksum":true,"DTXSID":"DTXSID5049368","Formula":"C11H16F3NO3S","All.Compound.Names":"1-butyl-4-methylpyridinium trifluoromethanesulfonate|Dtxsid5049368|882172-79-4","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7497,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.743,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":159,"MP.Reference":"EPA-CCD-OPERA","MW":299.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"882172-79-4"}
{"Compound":"Hexanol, acetate, branched and linear","CAS":"88230-35-7","CAS.Checksum":true,"DTXSID":"DTXSID9029061","All.Compound.Names":"Hexanol, acetate, branched and linear","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88230-35-7"}
{"Compound":"Buparvaquone","CAS":"88426-33-9","CAS.Checksum":true,"DTXSID":"DTXSID4057849","Formula":"C21H26O3","All.Compound.Names":"Buparvaquone|Dtxsid4057849","logHenry":-7.216,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.472,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.977,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.338,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.8,"MP.Reference":"EPA-CCD-OPERA","MW":326.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88426-33-9"}
{"Compound":"Beraprost sodium","CAS":"88475-69-8","CAS.Checksum":true,"DTXSID":"DTXSID2048585","Formula":"C24H29NaO5","All.Compound.Names":"Beraprost sodium|Dtxsid2048585","logHenry":-10.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.061,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.273,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.714,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.5,"MP.Reference":"EPA-CCD-OPERA","MW":420.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88475-69-8"}
{"Compound":"Fluxofenim","CAS":"88485-37-4","CAS.Checksum":true,"DTXSID":"DTXSID5044998","Formula":"C12H11ClF3NO3","All.Compound.Names":"Fluxofenim|Dtxsid5044998|88485-37-4","logHenry":-7.265,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.897,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.996,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.012,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.54,"MP.Reference":"EPA-CCD-OPERA","MW":309.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88485-37-4"}
{"Compound":"Levomequitazine","CAS":"88598-74-7","CAS.Checksum":true,"DTXSID":"DTXSID4048771","Formula":"C20H22N2S","All.Compound.Names":"Levomequitazine|Dtxsid4048771|88598-74-7","logHenry":-5.403,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.561,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.986,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.703,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.5,"MP.Reference":"EPA-CCD-OPERA","MW":322.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88598-74-7"}
{"Compound":"Norletimol","CAS":"886-08-8","CAS.Checksum":true,"DTXSID":"DTXSID7046174","Formula":"C14H13NO","All.Compound.Names":"Norletimol|Dtxsid7046174|886-08-8","logHenry":-7.154,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.771,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.202,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.501,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.5,"MP.Reference":"EPA-CCD-OPERA","MW":211.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"886-08-8"}
{"Compound":"Diphenylcyclopropenone","CAS":"886-38-4","CAS.Checksum":true,"DTXSID":"DTXSID2046545","Formula":"C15H10O","All.Compound.Names":"Diphenylcyclopropenone|Dtxsid2046545","logHenry":-4.314,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.506,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.987,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.844,"logWSol.Reference":"EPA-CCD-OPERA","MP":117.2,"MP.Reference":"EPA-CCD-OPERA","MW":206.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"886-38-4"}
{"Compound":"Terbutryn","CAS":"886-50-0","CAS.Checksum":true,"DTXSID":"DTXSID3024318","Formula":"C10H19N5S","All.Compound.Names":"Terbutryn|Dtxsid3024318|886-50-0","logHenry":-7.635,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.561,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.557,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.986,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.9,"MP.Reference":"EPA-CCD-OPERA","MW":241.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"886-50-0"}
{"Compound":"Chlorphenesin carbamate","CAS":"886-74-8","CAS.Checksum":true,"DTXSID":"DTXSID5022803","Formula":"C10H12ClNO4","All.Compound.Names":"Chlorphenesin carbamate|Dtxsid5022803|886-74-8","logHenry":-8.004,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9716,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.401,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.637,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.11,"MP.Reference":"EPA-CCD-OPERA","MW":245.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"886-74-8"}
{"Compound":"Ethyl 3-aminobenzoate methanesulfonic acid salt","CAS":"886-86-2","CAS.Checksum":true,"DTXSID":"DTXSID6022133","Formula":"C10H15NO5S","All.Compound.Names":"Ethyl 3-aminobenzoate methanesulfonic acid salt|Dtxsid6022133|886-86-2","logHenry":-8.728,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5902,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.17,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.203,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.4,"MP.Reference":"EPA-CCD-OPERA","MW":261.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"886-86-2"}
{"Compound":"1-butyl-1-methylpiperidinium tetrafluoroborate","CAS":"886439-34-5","CAS.Checksum":true,"DTXSID":"DTXSID0049369","Formula":"C10H22BF4N","All.Compound.Names":"1-butyl-1-methylpiperidinium tetrafluoroborate|Dtxsid0049369|886439-34-5","logHenry":-1.182,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7081,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.619,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.267,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.05,"MP.Reference":"EPA-CCD-OPERA","MW":243.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"886439-34-5"}
{"Compound":"Liranaftate","CAS":"88678-31-3","CAS.Checksum":true,"DTXSID":"DTXSID6046470","Formula":"C18H20N2O2S","All.Compound.Names":"Liranaftate|Dtxsid6046470|88678-31-3","logHenry":-6.512,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.364,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.32,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.147,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.4,"MP.Reference":"EPA-CCD-OPERA","MW":328.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88678-31-3"}
{"Compound":"Cilazapril","CAS":"88768-40-5","CAS.Checksum":true,"DTXSID":"DTXSID1048629","Formula":"C22H31N3O5","All.Compound.Names":"Cilazapril|88768-40-5|Dtxsid1048629","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.343,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.184,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.725,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.4,"MP.Reference":"EPA-CCD-OPERA","MW":417.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.4","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.6,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"88768-40-5"}
{"Compound":"1-methyl-1-propylpiperidinium bromide","CAS":"88840-42-0","CAS.Checksum":true,"DTXSID":"DTXSID9049370","Formula":"C9H20BrN","All.Compound.Names":"1-methyl-1-propylpiperidinium bromide|Dtxsid9049370|88840-42-0","logHenry":-1.159,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.033,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.189,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8193,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.7,"MP.Reference":"EPA-CCD-OPERA","MW":222.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88840-42-0"}
{"Compound":"Fosinopril sodium","CAS":"88889-14-9","CAS.Checksum":true,"DTXSID":"DTXSID7046621","Formula":"C30H45NNaO7P","All.Compound.Names":"Fosinopril sodium|Dtxsid7046621|88889-14-9","logHenry":-7.442,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.401,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.167,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.415,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.8,"MP.Reference":"EPA-CCD-OPERA","MW":585.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.58","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88889-14-9"}
{"Compound":"Propanol, 1(or 2)-(2-methoxymethylethoxy)-, acetate","CAS":"88917-22-0","CAS.Checksum":true,"DTXSID":"DTXSID4029062","All.Compound.Names":"Propanol, 1(or 2)-(2-methoxymethylethoxy)-, acetate|Dipropyleneglycol methyl ether acetate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88917-22-0"}
{"Compound":"2,3-pyridinedicarboxylic acid","CAS":"89-00-9","CAS.Checksum":true,"DTXSID":"DTXSID8041327","Formula":"C7H5NO4","All.Compound.Names":"2,3-pyridinedicarboxylic acid|Quinolinic acid|Dtxsid8041327|89-00-9","logHenry":-9.249,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.264,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.575,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.187,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.8,"MP.Reference":"EPA-CCD-OPERA","MW":167.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-00-9"}
{"Compound":"Trioctyl trimellitate","CAS":"89-04-3","CAS.Checksum":true,"DTXSID":"DTXSID0047533","Formula":"C33H54O6","All.Compound.Names":"Trioctyl trimellitate|Tri-n-octyl trimellitate|Dtxsid0047533","logHenry":-6.575,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.143,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.533,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.424,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.47,"MP.Reference":"EPA-CCD-OPERA","MW":546.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-04-3"}
{"Compound":"Pyromellitic acid","CAS":"89-05-4","CAS.Checksum":true,"DTXSID":"DTXSID8044466","Formula":"C10H6O8","All.Compound.Names":"Pyromellitic acid|Dtxsid8044466|89-05-4","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.098,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.281,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.168,"logWSol.Reference":"EPA-CCD-OPERA","MP":276,"MP.Reference":"EPA-CCD-OPERA","MW":254.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-05-4"}
{"Compound":"1,2-benzenedicarboxylic acid, 4-sulfo-","CAS":"89-08-7","CAS.Checksum":true,"DTXSID":"DTXSID6026535","Formula":"C8H6O7S","All.Compound.Names":"1,2-benzenedicarboxylic acid, 4-sulfo-|4-sulfophthalic acid|Dtxsid6026535|89-08-7","logHenry":-10.99,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.689,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.018,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2039,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.1,"MP.Reference":"EPA-CCD-OPERA","MW":246.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-08-7"}
{"Compound":"1h,3h-benzo(1,2-c:4,5-c')difuran-1,3,5,7-tetrone","CAS":"89-32-7","CAS.Checksum":true,"DTXSID":"DTXSID1026536","Formula":"C10H2O6","All.Compound.Names":"1h,3h-benzo(1,2-c:4,5-c')difuran-1,3,5,7-tetrone|Dtxsid1026536","logHenry":-8.786,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4868,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.749,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.829,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.4,"MP.Reference":"EPA-CCD-OPERA","MW":218.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-32-7"}
{"Compound":"Ethyl 5-oxo-1-phenyl-4,5-dihydro-1h-pyrazole-3-carboxylate","CAS":"89-33-8","CAS.Checksum":true,"DTXSID":"DTXSID5044738","Formula":"C12H12N2O3","All.Compound.Names":"Ethyl 5-oxo-1-phenyl-4,5-dihydro-1h-pyrazole-3-carboxylate|Dtxsid5044738|89-33-8","logHenry":-8.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.621,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.811,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.948,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.42,"MP.Reference":"EPA-CCD-OPERA","MW":232.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-33-8"}
{"Compound":"4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic acid","CAS":"89-36-1","CAS.Checksum":true,"DTXSID":"DTXSID0044999","Formula":"C10H10N2O4S","All.Compound.Names":"4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic acid|Dtxsid0044999|89-36-1","logHenry":-9.155,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.284,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.269,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7422,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.7,"MP.Reference":"EPA-CCD-OPERA","MW":254.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-36-1"}
{"Compound":"4-nitrophthalimide","CAS":"89-40-7","CAS.Checksum":true,"DTXSID":"DTXSID1025776","Formula":"C8H4N2O4","All.Compound.Names":"4-nitrophthalimide|Dtxsid1025776|89-40-7","logHenry":-7.504,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5799,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.755,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.596,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.1,"MP.Reference":"EPA-CCD-OPERA","MW":192.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-40-7"}
{"Compound":"Menthyl salicylate","CAS":"89-46-3","CAS.Checksum":true,"DTXSID":"DTXSID8046822","Formula":"C17H24O3","All.Compound.Names":"Menthyl salicylate|Dtxsid8046822|89-46-3","logHenry":-9.256,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.597,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.398,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.233,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.97,"MP.Reference":"EPA-CCD-OPERA","MW":276.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-46-3"}
{"Compound":"1,4-dimethyl-2-nitrobenzene","CAS":"89-58-7","CAS.Checksum":true,"DTXSID":"DTXSID2025137","Formula":"C8H9NO2","All.Compound.Names":"1,4-dimethyl-2-nitrobenzene|Dtxsid2025137","logHenry":-4.982,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.858,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.726,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.323,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.25,"MP.Reference":"EPA-CCD-OPERA","MW":151.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-58-7"}
{"Compound":"1,4-dichloro-2-nitrobenzene","CAS":"89-61-2","CAS.Checksum":true,"DTXSID":"DTXSID7052602","Formula":"C6H3Cl2NO2","All.Compound.Names":"1,4-dichloro-2-nitrobenzene|Dtxsid7052602","logHenry":-4.922,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.09,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.123,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.089,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.53,"MP.Reference":"EPA-CCD-OPERA","MW":192,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-61-2"}
{"Compound":"4-methyl-2-nitroaniline","CAS":"89-62-3","CAS.Checksum":true,"DTXSID":"DTXSID2025632","Formula":"C7H8N2O2","All.Compound.Names":"4-methyl-2-nitroaniline|Dtxsid2025632|89-62-3","logHenry":-7.035,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.474,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.025,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.978,"logWSol.Reference":"EPA-CCD-OPERA","MP":99.12,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-62-3"}
{"Compound":"4-chloro-2-nitroaniline","CAS":"89-63-4","CAS.Checksum":true,"DTXSID":"DTXSID4030384","Formula":"C6H5ClN2O2","All.Compound.Names":"4-chloro-2-nitroaniline|Dtxsid4030384|89-63-4","logHenry":-7.312,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.715,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.006,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.542,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.6,"MP.Reference":"EPA-CCD-OPERA","MW":172.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-63-4"}
{"Compound":"Isoascorbic acid","CAS":"89-65-6","CAS.Checksum":true,"DTXSID":"DTXSID6026537","Formula":"C6H8O6","All.Compound.Names":"Isoascorbic acid|Dtxsid6026537|89-65-6","logHenry":-9.073,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.851,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.974,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3165,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.5,"MP.Reference":"EPA-CCD-OPERA","MW":176.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-65-6"}
{"Compound":"6-chlorothymol","CAS":"89-68-9","CAS.Checksum":true,"DTXSID":"DTXSID2041547","Formula":"C10H13ClO","All.Compound.Names":"6-chlorothymol|Dtxsid2041547|89-68-9","logHenry":-5.999,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.918,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.485,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.885,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.93,"MP.Reference":"EPA-CCD-OPERA","MW":184.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-68-9"}
{"Compound":"2,4,5-trichloronitrobenzene","CAS":"89-69-0","CAS.Checksum":true,"DTXSID":"DTXSID5026203","Formula":"C6H2Cl3NO2","All.Compound.Names":"2,4,5-trichloronitrobenzene|Dtxsid5026203","logHenry":-5.041,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.481,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.301,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.905,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.77,"MP.Reference":"EPA-CCD-OPERA","MW":226.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-69-0"}
{"Compound":"Methyl 2-methylbenzoate","CAS":"89-71-4","CAS.Checksum":true,"DTXSID":"DTXSID6048208","Formula":"C9H10O2","All.Compound.Names":"Methyl 2-methylbenzoate|Dtxsid6048208","logHenry":-7.254,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.748,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.073,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.165,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.184,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-71-4"}
{"Compound":"2-(butan-2-yl)phenol","CAS":"89-72-5","CAS.Checksum":true,"DTXSID":"DTXSID2022331","Formula":"C10H14O","All.Compound.Names":"2-(butan-2-yl)phenol|Dtxsid2022331|89-72-5","logHenry":-6.168,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.271,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.299,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.209,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.3,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-72-5"}
{"Compound":"2,4-dichlorobenzoyl chloride","CAS":"89-75-8","CAS.Checksum":true,"DTXSID":"DTXSID2052603","Formula":"C7H3Cl3O","All.Compound.Names":"2,4-dichlorobenzoyl chloride|Dtxsid2052603","logHenry":-5.808,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.548,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.769,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.524,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.79,"MP.Reference":"EPA-CCD-OPERA","MW":209.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-75-8"}
{"Compound":"Dl-menthol","CAS":"89-78-1","CAS.Checksum":true,"DTXSID":"DTXSID1020805","Formula":"C10H20O","All.Compound.Names":"Dl-menthol|Dtxsid1020805|89-78-1","logHenry":-4.779,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.343,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.26,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.774,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.22,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-78-1"}
{"Compound":"Isopulegol","CAS":"89-79-2","CAS.Checksum":true,"DTXSID":"DTXSID5047116","Formula":"C10H18O","All.Compound.Names":"Isopulegol|(-)-isopulegol|Dtxsid5047116|89-79-2","logHenry":-5.21,"logHenry.Reference":"OPERA29","logP":2.41,"logP.Reference":"OPERA29","logWSol":-1.72,"logWSol.Reference":"OPERA29","MP":77,"MP.Reference":"OPERA29","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-79-2"}
{"Compound":"R-(+)-pulegone","CAS":"89-82-7","CAS.Checksum":true,"DTXSID":"DTXSID2025975","Formula":"C10H16O","All.Compound.Names":"R-(+)-pulegone|Dtxsid2025975","logHenry":-3.463,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.077,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.004,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.997,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.04,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-82-7"}
{"Compound":"Thymol","CAS":"89-83-8","CAS.Checksum":true,"DTXSID":"DTXSID6034972","Formula":"C10H14O","All.Compound.Names":"Thymol|Dtxsid6034972|89-83-8","logHenry":-6.123,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.301,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.292,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.256,"logWSol.Reference":"EPA-CCD-OPERA","MP":50.85,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-83-8"}
{"Compound":"2,4-dihydroxybenzoic acid","CAS":"89-86-1","CAS.Checksum":true,"DTXSID":"DTXSID0025074","Formula":"C7H6O4","All.Compound.Names":"2,4-dihydroxybenzoic acid|Dtxsid0025074|89-86-1","logHenry":-9.369,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.63,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.261,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.3,"MP.Reference":"EPA-CCD-OPERA","MW":154.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-86-1"}
{"Compound":"1,3-dimethyl-4-nitrobenzene","CAS":"89-87-2","CAS.Checksum":true,"DTXSID":"DTXSID2025135","Formula":"C8H9NO2","All.Compound.Names":"1,3-dimethyl-4-nitrobenzene|Dtxsid2025135","logHenry":-4.981,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.848,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.737,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.323,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.52,"MP.Reference":"EPA-CCD-OPERA","MW":151.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-87-2"}
{"Compound":"2-chlorobenzaldehyde","CAS":"89-98-5","CAS.Checksum":true,"DTXSID":"DTXSID5024764","Formula":"C7H5ClO","All.Compound.Names":"2-chlorobenzaldehyde|Dtxsid5024764","logHenry":-4.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.329,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.252,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.807,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.04,"MP.Reference":"EPA-CCD-OPERA","MW":140.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-98-5"}
{"Compound":"Efaroxan","CAS":"89197-32-0","CAS.Checksum":true,"DTXSID":"DTXSID8045149","Formula":"C13H16N2O","All.Compound.Names":"Efaroxan|Dtxsid8045149|89197-32-0","logHenry":-8.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.226,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.992,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.049,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.4,"MP.Reference":"EPA-CCD-OPERA","MW":216.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.02","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"89197-32-0"}
{"Compound":"Manidipine dihydrochloride","CAS":"89226-75-5","CAS.Checksum":true,"DTXSID":"DTXSID9020796","Formula":"C35H40Cl2N4O6","All.Compound.Names":"Manidipine dihydrochloride|Dtxsid9020796|89226-75-5","logHenry":-7.443,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.31,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.364,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.329,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.5,"MP.Reference":"EPA-CCD-OPERA","MW":683.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89226-75-5"}
{"Compound":"Tenylidone","CAS":"893-01-6","CAS.Checksum":true,"DTXSID":"DTXSID2046254","Formula":"C16H14OS2","All.Compound.Names":"Tenylidone|Dtxsid2046254","logHenry":-4.344,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.565,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.257,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.502,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.93,"MP.Reference":"EPA-CCD-OPERA","MW":286.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"893-01-6"}
{"Compound":"1-ethyl-1-methylpyrrolidinium trifluoromethanesulfonate","CAS":"893443-18-0","CAS.Checksum":true,"DTXSID":"DTXSID9049372","Formula":"C8H16F3NO3S","All.Compound.Names":"1-ethyl-1-methylpyrrolidinium trifluoromethanesulfonate|Dtxsid9049372|893443-18-0","logHenry":-0.9352,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.755,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.317,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2721,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.2,"MP.Reference":"EPA-CCD-OPERA","MW":263.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"893443-18-0"}
{"Compound":"Salmeterol","CAS":"89365-50-4","CAS.Checksum":true,"DTXSID":"DTXSID6023571","Formula":"C25H37NO4","All.Compound.Names":"Salmeterol|Dtxsid6023571|89365-50-4","logHenry":-11.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.489,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.953,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.159,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.5,"MP.Reference":"EPA-CCD-OPERA","MW":415.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.02","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89365-50-4"}
{"Compound":"Imidaprilat","CAS":"89371-44-8","CAS.Checksum":true,"DTXSID":"DTXSID3057850","Formula":"C18H23N3O6","All.Compound.Names":"Imidaprilat|Dtxsid3057850|89371-44-8","logHenry":-9.26,"logHenry.Reference":"OPERA29","logP":0.82,"logP.Reference":"OPERA29","logWSol":-2.6,"logWSol.Reference":"OPERA29","MP":145,"MP.Reference":"OPERA29","MW":377.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89371-44-8"}
{"Compound":"Imidapril hydrochloride","CAS":"89396-94-1","CAS.Checksum":true,"DTXSID":"DTXSID7046912","Formula":"C20H28ClN3O6","All.Compound.Names":"Imidapril hydrochloride|Dtxsid7046912|89396-94-1","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4345,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.129,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.226,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.6,"MP.Reference":"EPA-CCD-OPERA","MW":441.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.52","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89396-94-1"}
{"Compound":"Nortriptyline hdrochloride","CAS":"894-71-3","CAS.Checksum":true,"DTXSID":"DTXSID2045109","Formula":"C19H22ClN","All.Compound.Names":"Nortriptyline hdrochloride|Nortriptyline hydrochloride|Dtxsid2045109|894-71-3","logHenry":-7.076,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.736,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.294,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.005,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.3,"MP.Reference":"EPA-CCD-OPERA","MW":299.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"894-71-3"}
{"Compound":"1,3-dichloro-5-ethyl-5-methylhydantoin","CAS":"89415-87-2","CAS.Checksum":true,"DTXSID":"DTXSID4035839","Formula":"C6H8Cl2N2O2","All.Compound.Names":"1,3-dichloro-5-ethyl-5-methylhydantoin|Dtxsid4035839|89415-87-2","logHenry":-3.691,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.917,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.96,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.142,"logWSol.Reference":"EPA-CCD-OPERA","MP":111.6,"MP.Reference":"EPA-CCD-OPERA","MW":211,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89415-87-2"}
{"Compound":"Mosapramine","CAS":"89419-40-9","CAS.Checksum":true,"DTXSID":"DTXSID0048846","Formula":"C28H35ClN4O","All.Compound.Names":"Mosapramine|Dtxsid0048846|89419-40-9","logHenry":-7.601,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.605,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.58,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.049,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.9,"MP.Reference":"EPA-CCD-OPERA","MW":479.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.33","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89419-40-9"}
{"Compound":"Isbogrel","CAS":"89667-40-3","CAS.Checksum":true,"DTXSID":"DTXSID4021133","Formula":"C18H19NO2","All.Compound.Names":"Isbogrel|Dtxsid4021133|89667-40-3","logHenry":-8.406,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.386,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.975,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.551,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.9,"MP.Reference":"EPA-CCD-OPERA","MW":281.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.01","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89667-40-3"}
{"Compound":"Dothiepin hydrochloride","CAS":"897-15-4","CAS.Checksum":true,"DTXSID":"DTXSID7047778","Formula":"C19H22ClNS","All.Compound.Names":"Dothiepin hydrochloride|Dtxsid7047778|897-15-4","logHenry":-7.491,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8983,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.708,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.098,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.1,"MP.Reference":"EPA-CCD-OPERA","MW":331.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"897-15-4"}
{"Compound":"Toremifene citrate","CAS":"89778-27-8","CAS.Checksum":true,"DTXSID":"DTXSID2021367","Formula":"C32H36ClNO8","All.Compound.Names":"Toremifene citrate|Dtxsid2021367|89778-27-8","logHenry":-7.671,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8373,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.85,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.32,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.8,"MP.Reference":"EPA-CCD-OPERA","MW":598.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89778-27-8"}
{"Compound":"Tazobactam sodium","CAS":"89785-84-2","CAS.Checksum":true,"DTXSID":"DTXSID8046030","Formula":"C10H11N4NaO5S","All.Compound.Names":"Tazobactam sodium|Dtxsid8046030|89785-84-2","logHenry":-9.753,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.07985,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.42,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.584,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.5,"MP.Reference":"EPA-CCD-OPERA","MW":322.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.71","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89785-84-2"}
{"Compound":"Aceclofenac","CAS":"89796-99-6","CAS.Checksum":true,"DTXSID":"DTXSID7045522","Formula":"C16H13Cl2NO4","All.Compound.Names":"Aceclofenac|Dtxsid7045522|89796-99-6","logHenry":-9.866,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.507,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.938,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.577,"logWSol.Reference":"EPA-CCD-OPERA","MP":233.1,"MP.Reference":"EPA-CCD-OPERA","MW":354.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"38.9,17.3,87.6","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"89796-99-6"}
{"Compound":"2-[(4-chloro-3-methylphenyl)amino]benzoic acid","CAS":"898128-45-5","CAS.Checksum":true,"DTXSID":"DTXSID0048688","Formula":"C14H12ClNO2","All.Compound.Names":"2-[(4-chloro-3-methylphenyl)amino]benzoic acid|Dtxsid0048688|898128-45-5","logHenry":-9.756,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.939,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.3,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.816,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.5,"MP.Reference":"EPA-CCD-OPERA","MW":261.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"898128-45-5"}
{"Compound":"2-ethylphenol","CAS":"90-00-6","CAS.Checksum":true,"DTXSID":"DTXSID1022479","Formula":"C8H10O","All.Compound.Names":"2-ethylphenol|Dtxsid1022479|90-00-6","logHenry":-6.136,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.47,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.62,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.182,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.71,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-00-6"}
{"Compound":"Salicyl alcohol","CAS":"90-01-7","CAS.Checksum":true,"DTXSID":"DTXSID9045843","Formula":"C7H8O2","All.Compound.Names":"Salicyl alcohol|Dtxsid9045843|90-01-7","logHenry":-6.774,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.728,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.864,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.295,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.13,"MP.Reference":"EPA-CCD-OPERA","MW":124.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-01-7"}
{"Compound":"Salicylaldehyde","CAS":"90-02-8","CAS.Checksum":true,"DTXSID":"DTXSID1021792","Formula":"C7H6O2","All.Compound.Names":"Salicylaldehyde|Dtxsid1021792|90-02-8","logHenry":-6.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.809,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.158,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8616,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.613,"MP.Reference":"EPA-CCD-OPERA","MW":122.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-02-8"}
{"Compound":"O-(chloromercuri)phenol","CAS":"90-03-9","CAS.Checksum":true,"DTXSID":"DTXSID2042224","Formula":"C6H5ClHgO","All.Compound.Names":"O-(chloromercuri)phenol","MW":329.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-03-9"}
{"Compound":"1-chloronaphthalene","CAS":"90-13-1","CAS.Checksum":true,"DTXSID":"DTXSID2024791","Formula":"C10H7Cl","All.Compound.Names":"1-chloronaphthalene|Dtxsid2024791","logHenry":-3.452,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.045,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.743,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.039,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.11,"MP.Reference":"EPA-CCD-OPERA","MW":162.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-13-1"}
{"Compound":"1,2,3-benzotriazin-4(1h)-one","CAS":"90-16-4","CAS.Checksum":true,"DTXSID":"DTXSID5026544","Formula":"C7H5N3O","All.Compound.Names":"1,2,3-benzotriazin-4(1h)-one|Dtxsid5026544|90-16-4","logHenry":-8.573,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8305,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.883,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.004,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.9,"MP.Reference":"EPA-CCD-OPERA","MW":147.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-16-4"}
{"Compound":"2,2,2-trichloro-1-phenylethyl acetate","CAS":"90-17-5","CAS.Checksum":true,"DTXSID":"DTXSID2047725","Formula":"C10H9Cl3O2","All.Compound.Names":"2,2,2-trichloro-1-phenylethyl acetate|Dtxsid2047725","logHenry":-6.338,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.849,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.919,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.492,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.46,"MP.Reference":"EPA-CCD-OPERA","MW":267.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-17-5"}
{"Compound":"Diethylmethyl(2-3-methyl-2-phenylvaleryloxy)-ethyl)ammonium bromide","CAS":"90-22-2","CAS.Checksum":true,"DTXSID":"DTXSID5049027","Formula":"C19H32BrNO2","All.Compound.Names":"Diethylmethyl(2-3-methyl-2-phenylvaleryloxy)-ethyl)ammonium bromide|Dtxsid5049027|90-22-2","logHenry":-7.066,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9904,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.944,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.454,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.5,"MP.Reference":"EPA-CCD-OPERA","MW":386.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-22-2"}
{"Compound":"4-methylumbelliferone","CAS":"90-33-5","CAS.Checksum":true,"DTXSID":"DTXSID8025670","Formula":"C10H8O3","All.Compound.Names":"4-methylumbelliferone|Dtxsid8025670|90-33-5","logHenry":-9.284,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.899,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.377,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.669,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.5,"MP.Reference":"EPA-CCD-OPERA","MW":176.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-33-5"}
{"Compound":"Sparteine","CAS":"90-39-1","CAS.Checksum":true,"DTXSID":"DTXSID4023591","Formula":"C15H26N2","All.Compound.Names":"Sparteine|Dtxsid4023591|90-39-1","logHenry":-5.012,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.069,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.018,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.891,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.62,"MP.Reference":"EPA-CCD-OPERA","MW":234.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-39-1"}
{"Compound":"2-biphenylamine","CAS":"90-41-5","CAS.Checksum":true,"DTXSID":"DTXSID3030189","Formula":"C12H11N","All.Compound.Names":"2-biphenylamine|Dtxsid3030189|90-41-5","logHenry":-6.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.84,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.428,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.383,"logWSol.Reference":"EPA-CCD-OPERA","MP":50.91,"MP.Reference":"EPA-CCD-OPERA","MW":169.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-41-5"}
{"Compound":"1,1'-bi(cyclohexyl)-2-one","CAS":"90-42-6","CAS.Checksum":true,"DTXSID":"DTXSID8047424","Formula":"C12H20O","All.Compound.Names":"1,1'-bi(cyclohexyl)-2-one|Dtxsid8047424","logHenry":-3.842,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.597,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.964,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.588,"logWSol.Reference":"EPA-CCD-OPERA","MP":-31.73,"MP.Reference":"EPA-CCD-OPERA","MW":180.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-42-6"}
{"Compound":"Anthrone","CAS":"90-44-8","CAS.Checksum":true,"DTXSID":"DTXSID1049431","Formula":"C14H10O","All.Compound.Names":"Anthrone|Dtxsid1049431","logHenry":-5.904,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.659,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.724,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.188,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.8,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-44-8"}
{"Compound":"Xanthone","CAS":"90-47-1","CAS.Checksum":true,"DTXSID":"DTXSID6021795","Formula":"C13H8O2","All.Compound.Names":"Xanthone|Dtxsid6021795","logHenry":-7.468,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.39,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.055,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.354,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.6,"MP.Reference":"EPA-CCD-OPERA","MW":196.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-47-1"}
{"Compound":"Ethylphenylacetylurea","CAS":"90-49-3","CAS.Checksum":true,"DTXSID":"DTXSID4020612","Formula":"C11H14N2O2","All.Compound.Names":"Ethylphenylacetylurea|Dtxsid4020612|90-49-3","logHenry":-9.212,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.84,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.538,"logWSol.Reference":"EPA-CCD-OPERA","MP":162,"MP.Reference":"EPA-CCD-OPERA","MW":206.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-49-3"}
{"Compound":"6-amino-4-hydroxynaphthalene-2-sulfonic acid","CAS":"90-51-7","CAS.Checksum":true,"DTXSID":"DTXSID0026547","Formula":"C10H9NO4S","All.Compound.Names":"6-amino-4-hydroxynaphthalene-2-sulfonic acid|Dtxsid0026547|90-51-7","logHenry":-8.524,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5741,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.634,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.704,"logWSol.Reference":"EPA-CCD-OPERA","MP":206,"MP.Reference":"EPA-CCD-OPERA","MW":239.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-51-7"}
{"Compound":"Etafenone","CAS":"90-54-0","CAS.Checksum":true,"DTXSID":"DTXSID6046181","Formula":"C21H27NO2","All.Compound.Names":"Etafenone|Dtxsid6046181|90-54-0","logHenry":-7.223,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.408,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.956,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.995,"logWSol.Reference":"EPA-CCD-OPERA","MP":88.22,"MP.Reference":"EPA-CCD-OPERA","MW":325.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-54-0"}
{"Compound":"Lobeline","CAS":"90-69-7","CAS.Checksum":true,"DTXSID":"DTXSID3023219","Formula":"C22H27NO2","All.Compound.Names":"Lobeline|Dtxsid3023219","logHenry":-8.036,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.826,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.695,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.819,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.6,"MP.Reference":"EPA-CCD-OPERA","MW":337.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-69-7"}
{"Compound":"2,4,6-tris(dimethylaminomethyl)phenol","CAS":"90-72-2","CAS.Checksum":true,"DTXSID":"DTXSID5026548","Formula":"C15H27N3O","All.Compound.Names":"2,4,6-tris(dimethylaminomethyl)phenol|Dtxsid5026548|90-72-2","logHenry":-9.057,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8167,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.097,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.405,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.85,"MP.Reference":"EPA-CCD-OPERA","MW":265.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-72-2"}
{"Compound":"Gluconolactone","CAS":"90-80-2","CAS.Checksum":true,"DTXSID":"DTXSID0026549","Formula":"C6H10O6","All.Compound.Names":"Gluconolactone|Dtxsid0026549|90-80-2","logHenry":-8.828,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.431,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.61,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5191,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.7,"MP.Reference":"EPA-CCD-OPERA","MW":178.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.11","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-80-2"}
{"Compound":"Cinnamedrine","CAS":"90-86-8","CAS.Checksum":true,"DTXSID":"DTXSID8057851","Formula":"C19H23NO","All.Compound.Names":"Cinnamedrine|Dtxsid8057851|90-86-8","logHenry":-6.703,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.91,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.723,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.016,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.96,"MP.Reference":"EPA-CCD-OPERA","MW":281.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-86-8"}
{"Compound":"2-phenylpropionaldehyde dimethyl acetal","CAS":"90-87-9","CAS.Checksum":true,"DTXSID":"DTXSID6047109","Formula":"C11H16O2","All.Compound.Names":"2-phenylpropionaldehyde dimethyl acetal|Hydrotropic aldehyde dimethyl acetal|Dtxsid6047109","logHenry":-4.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.597,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.109,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.904,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.91,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-87-9"}
{"Compound":"4,4'-dichlorobenzophenone","CAS":"90-98-2","CAS.Checksum":true,"DTXSID":"DTXSID3037626","Formula":"C13H8Cl2O","All.Compound.Names":"4,4'-dichlorobenzophenone|Dtxsid3037626","logHenry":-7.157,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.36,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.857,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.092,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.9,"MP.Reference":"EPA-CCD-OPERA","MW":251.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90-98-2"}
{"Compound":"Triphenyltin acetate","CAS":"900-95-8","CAS.Checksum":true,"DTXSID":"DTXSID6021408","Formula":"C20H18O2Sn","All.Compound.Names":"Triphenyltin acetate","MW":409.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"900-95-8"}
{"Compound":"Uricase from bacillus fastidiosus","CAS":"9002-12-4","CAS.Checksum":true,"DTXSID":"DTXSID8046826","All.Compound.Names":"Uricase from bacillus fastidiosus","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9002-12-4"}
{"Compound":"Triton x-100","CAS":"9002-93-1","CAS.Checksum":true,"DTXSID":"DTXSID8034085","Formula":"(C2H4O)nC14H22O","All.Compound.Names":"Triton x-100|Triton x 100","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9002-93-1"}
{"Compound":"Tocophersolan","CAS":"9002-96-4","CAS.Checksum":true,"DTXSID":"DTXSID1048623","Formula":"(C2H4)nC33H54O6","All.Compound.Names":"Tocophersolan","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9002-96-4"}
{"Compound":"Pluronic f-127","CAS":"9003-11-6","CAS.Checksum":true,"DTXSID":"DTXSID4047597","All.Compound.Names":"Pluronic f-127|Poloxalene","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9003-11-6"}
{"Compound":"Detomidine hydrochloride","CAS":"90038-01-0","CAS.Checksum":true,"DTXSID":"DTXSID7048661","Formula":"C12H15ClN2","All.Compound.Names":"Detomidine hydrochloride|Dtxsid7048661|90038-01-0","logHenry":-6.677,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6655,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.194,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.867,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.4,"MP.Reference":"EPA-CCD-OPERA","MW":222.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90038-01-0"}
{"Compound":"Cellulose acetate phthalate","CAS":"9004-38-0","CAS.Checksum":true,"DTXSID":"DTXSID2048668","Formula":"C32H34O19","All.Compound.Names":"Cellulose acetate phthalate|Dtxsid2048668|9004-38-0","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.901,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.651,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3001,"logWSol.Reference":"EPA-CCD-OPERA","MP":241.4,"MP.Reference":"EPA-CCD-OPERA","MW":722.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9004-38-0"}
{"Compound":"Hyaluronic acid","CAS":"9004-61-9","CAS.Checksum":true,"DTXSID":"DTXSID7046750","All.Compound.Names":"Hyaluronic acid","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9004-61-9"}
{"Compound":"Methylpolysilicone","CAS":"9004-73-3","CAS.Checksum":true,"DTXSID":"DTXSID8047501","Formula":"(C3H10OSi)n","All.Compound.Names":"Methylpolysilicone|Poly[oxy(methylsilylene)]","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9004-73-3"}
{"Compound":"Sodium lauryl polyoxyethylene ether sulfate","CAS":"9004-82-4","CAS.Checksum":true,"DTXSID":"DTXSID2029298","Formula":"(C2H4O)nC12H25NaO4S","All.Compound.Names":"Sodium lauryl polyoxyethylene ether sulfate|Alpha-sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9004-82-4"}
{"Compound":"Polyoxyethylene monoleate","CAS":"9004-96-0","CAS.Checksum":true,"DTXSID":"DTXSID6027713","Formula":"(C2H4O)nC18H34O2","All.Compound.Names":"Polyoxyethylene monoleate|Poly(oxyethylene) monoleate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9004-96-0"}
{"Compound":"Polyethylene glycol (9z)-9-octadecenyl ether","CAS":"9004-98-2","CAS.Checksum":true,"DTXSID":"DTXSID1027714","Formula":"(C2H4O)nC18H36O","All.Compound.Names":"Polyethylene glycol (9z)-9-octadecenyl ether|9-octadecen-1-ol-ethylene oxide copolymer","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9004-98-2"}
{"Compound":"Ginkgo biloba extract","CAS":"90045-36-6","CAS.Checksum":true,"DTXSID":"DTXSID8031366","All.Compound.Names":"Ginkgo biloba extract","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90045-36-6"}
{"Compound":"Poly(oxy-1,2-ethanediyl), .alpha.-octadecyl-.omega.-hydroxy-","CAS":"9005-00-9","CAS.Checksum":true,"DTXSID":"DTXSID7029299","Formula":"(C2H4O)nC18H38O","All.Compound.Names":"Poly(oxy-1,2-ethanediyl), .alpha.-octadecyl-.omega.-hydroxy-|Polyoxyethylene monooctadecyl ether","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9005-00-9"}
{"Compound":"Polyethylene glycol di-(9z)-9-octadecenyl ether","CAS":"9005-07-6","CAS.Checksum":true,"DTXSID":"DTXSID1027716","Formula":"(C2H4O)nC36H66O3","All.Compound.Names":"Polyethylene glycol di-(9z)-9-octadecenyl ether|Polyoxyethylene dioleate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9005-07-6"}
{"Compound":"Hydroxyethyl glucose","CAS":"9005-27-0","CAS.Checksum":true,"DTXSID":"DTXSID3046829","All.Compound.Names":"Hydroxyethyl glucose|Hydroxyethyl starch","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9005-27-0"}
{"Compound":"Polysorbate 80","CAS":"9005-65-6","CAS.Checksum":true,"DTXSID":"DTXSID0021175","All.Compound.Names":"Polysorbate 80","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9005-65-6"}
{"Compound":"Polysorbate 60","CAS":"9005-67-8","CAS.Checksum":true,"DTXSID":"DTXSID9029300","All.Compound.Names":"Polysorbate 60","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9005-67-8"}
{"Compound":"Cytochrome c","CAS":"9007-43-6","CAS.Checksum":true,"DTXSID":"DTXSID6046894","All.Compound.Names":"Cytochrome c","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9007-43-6"}
{"Compound":"Rebamipide","CAS":"90098-04-7","CAS.Checksum":true,"DTXSID":"DTXSID8045937","Formula":"C19H15ClN2O4","All.Compound.Names":"Rebamipide|Dtxsid8045937|90098-04-7","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.688,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.56,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.4,"MP.Reference":"EPA-CCD-OPERA","MW":370.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90098-04-7"}
{"Compound":"Diethylaminoethyl-sephacel","CAS":"9013-34-7","CAS.Checksum":true,"DTXSID":"DTXSID9046819","All.Compound.Names":"Diethylaminoethyl-sephacel","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9013-34-7"}
{"Compound":"Polydimethylsiloxane","CAS":"9016-00-6","CAS.Checksum":true,"DTXSID":"DTXSID9023833","Formula":"(C2H6OSi)n","All.Compound.Names":"Polydimethylsiloxane|Poly[oxy(dimethylsilylene)]","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9016-00-6"}
{"Compound":"Isocyanic acid, polymethylenepolyphenylene ester","CAS":"9016-87-9","CAS.Checksum":true,"DTXSID":"DTXSID3047473","All.Compound.Names":"Isocyanic acid, polymethylenepolyphenylene ester|Polymethylene polyphenyl polyisocyanate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9016-87-9"}
{"Compound":"Isbufylline","CAS":"90162-60-0","CAS.Checksum":true,"DTXSID":"DTXSID6046767","Formula":"C11H16N4O2","All.Compound.Names":"Isbufylline|Dtxsid6046767|90162-60-0","logHenry":-7.1,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6285,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.196,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.436,"logWSol.Reference":"EPA-CCD-OPERA","MP":117.6,"MP.Reference":"EPA-CCD-OPERA","MW":236.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90162-60-0"}
{"Compound":"4h-pyrrolo[2,3-d]pyrimidin-4-one, 3,7-dihydro-5-(1-piperidinylmethyl)-","CAS":"902261-63-6","CAS.Checksum":true,"DTXSID":"DTXSID5048768","Formula":"C12H16N4O","All.Compound.Names":"4h-pyrrolo[2,3-d]pyrimidin-4-one, 3,7-dihydro-5-(1-piperidinylmethyl)-|5-(piperidin-1-ylmethyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one|Dtxsid5048768|902261-63-6","logHenry":-9.782,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5733,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.495,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.006,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.3,"MP.Reference":"EPA-CCD-OPERA","MW":232.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"902261-63-6"}
{"Compound":"Ractopamine hydrochloride","CAS":"90274-24-1","CAS.Checksum":true,"DTXSID":"DTXSID1046471","Formula":"C18H24ClNO3","All.Compound.Names":"Ractopamine hydrochloride|Dtxsid1046471|90274-24-1","logHenry":-8.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1066,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.507,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.574,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.3,"MP.Reference":"EPA-CCD-OPERA","MW":337.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90274-24-1"}
{"Compound":"Bifemelane","CAS":"90293-01-9","CAS.Checksum":true,"DTXSID":"DTXSID1045663","Formula":"C18H23NO","All.Compound.Names":"Bifemelane|90293-01-9|Dtxsid1045663","logHenry":-6.608,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.969,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.692,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.987,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.88,"MP.Reference":"EPA-CCD-OPERA","MW":269.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.13,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"90293-01-9"}
{"Compound":"1,2,3-hexanetriol","CAS":"90325-47-6","CAS.Checksum":true,"DTXSID":"DTXSID5052884","Formula":"C6H14O3","All.Compound.Names":"1,2,3-hexanetriol|Dtxsid5052884|90325-47-6","logHenry":-7.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7934,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.051,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2846,"logWSol.Reference":"EPA-CCD-OPERA","MP":143,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90325-47-6"}
{"Compound":"Bleomycin sulfate","CAS":"9041-93-4","CAS.Checksum":true,"DTXSID":"DTXSID2047800","All.Compound.Names":"Bleomycin sulfate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9041-93-4"}
{"Compound":"Xaliproden hydrochloride","CAS":"90494-79-4","CAS.Checksum":true,"DTXSID":"DTXSID5046724","Formula":"C24H23ClF3N","All.Compound.Names":"Xaliproden hydrochloride|Dtxsid5046724|90494-79-4","logHenry":-6.928,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.049,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.81,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.6,"MP.Reference":"EPA-CCD-OPERA","MW":417.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90494-79-4"}
{"Compound":"3,3'-diethylthiacarbocyanine iodide","CAS":"905-97-5","CAS.Checksum":true,"DTXSID":"DTXSID2046591","Formula":"C21H21IN2S2","All.Compound.Names":"3,3'-diethylthiacarbocyanine iodide|Dtxsid2046591|905-97-5","logHenry":-7.773,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9401,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.75,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.834,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.5,"MP.Reference":"EPA-CCD-OPERA","MW":492.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"905-97-5"}
{"Compound":"Lysozyme hydrochloride","CAS":"9066-59-5","CAS.Checksum":true,"DTXSID":"DTXSID8048608","All.Compound.Names":"Lysozyme hydrochloride","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"9066-59-5"}
{"Compound":"Quinmerac","CAS":"90717-03-6","CAS.Checksum":true,"DTXSID":"DTXSID1042364","Formula":"C11H8ClNO2","All.Compound.Names":"Quinmerac|Dtxsid1042364|90717-03-6","logHenry":-8.807,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7874,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.735,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.671,"logWSol.Reference":"EPA-CCD-OPERA","MP":243.9,"MP.Reference":"EPA-CCD-OPERA","MW":221.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90717-03-6"}
{"Compound":"Ebastine","CAS":"90729-43-4","CAS.Checksum":true,"DTXSID":"DTXSID6046472","Formula":"C32H39NO2","All.Compound.Names":"Ebastine|Dtxsid6046472|90729-43-4","logHenry":-7.111,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.634,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.045,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.496,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.7,"MP.Reference":"EPA-CCD-OPERA","MW":469.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.78","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90729-43-4"}
{"Compound":"N-(4-fluorophenyl)-n-[1-(2-phenylethyl)-4-piperidyl] propanamide","CAS":"90736-23-5","CAS.Checksum":true,"DTXSID":"DTXSID0048929","Formula":"C22H27FN2O","All.Compound.Names":"N-(4-fluorophenyl)-n-[1-(2-phenylethyl)-4-piperidyl] propanamide|Para-fluorofentanyl|Dtxsid0048929|90736-23-5","logHenry":-7.026,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.245,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.47,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.466,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.6,"MP.Reference":"EPA-CCD-OPERA","MW":354.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90736-23-5"}
{"Compound":"Atosiban","CAS":"90779-69-4","CAS.Checksum":true,"DTXSID":"DTXSID8048991","Formula":"C43H67N11O12S2","All.Compound.Names":"Atosiban|Dtxsid8048991|90779-69-4","logHenry":-10.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.013,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.61,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.259,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.9,"MP.Reference":"EPA-CCD-OPERA","MW":994.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90779-69-4"}
{"Compound":"Opipramol dihydrochloride","CAS":"909-39-7","CAS.Checksum":true,"DTXSID":"DTXSID5045752","Formula":"C23H31Cl2N3O","All.Compound.Names":"Opipramol dihydrochloride|Dtxsid5045752|909-39-7","logHenry":-7.631,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.868,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.529,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.505,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.5,"MP.Reference":"EPA-CCD-OPERA","MW":436.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"909-39-7"}
{"Compound":"Chlorimuron-ethyl","CAS":"90982-32-4","CAS.Checksum":true,"DTXSID":"DTXSID0023955","Formula":"C15H15ClN4O6S","All.Compound.Names":"Chlorimuron-ethyl|Dtxsid0023955|90982-32-4","logHenry":-10.25,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.497,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.084,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.544,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.4,"MP.Reference":"EPA-CCD-OPERA","MW":414.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90982-32-4"}
{"Compound":"Toluene-2,6-diisocyanate","CAS":"91-08-7","CAS.Checksum":true,"DTXSID":"DTXSID2026157","Formula":"C9H6N2O2","All.Compound.Names":"Toluene-2,6-diisocyanate|Dtxsid2026157|91-08-7","logHenry":-6.011,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6031,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.528,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.653,"logWSol.Reference":"EPA-CCD-OPERA","MP":19,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-08-7"}
{"Compound":"2,6-dimethoxyphenol","CAS":"91-10-1","CAS.Checksum":true,"DTXSID":"DTXSID2052607","Formula":"C8H10O3","All.Compound.Names":"2,6-dimethoxyphenol|Dtxsid2052607|91-10-1","logHenry":-6.637,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.152,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.033,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.733,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.47,"MP.Reference":"EPA-CCD-OPERA","MW":154.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-10-1"}
{"Compound":"1,2-benzenedicarbonitrile","CAS":"91-15-6","CAS.Checksum":true,"DTXSID":"DTXSID8029604","Formula":"C8H4N2","All.Compound.Names":"1,2-benzenedicarbonitrile|Dtxsid8029604","logHenry":-6.893,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9896,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.085,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.443,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.9,"MP.Reference":"EPA-CCD-OPERA","MW":128.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-15-6"}
{"Compound":"1,2-dimethoxybenzene","CAS":"91-16-7","CAS.Checksum":true,"DTXSID":"DTXSID7047065","Formula":"C8H10O2","All.Compound.Names":"1,2-dimethoxybenzene|Dtxsid7047065","logHenry":-5.396,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.601,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.838,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.446,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.58,"MP.Reference":"EPA-CCD-OPERA","MW":138.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-16-7"}
{"Compound":"Decalin","CAS":"91-17-8","CAS.Checksum":true,"DTXSID":"DTXSID1024912","Formula":"C10H18","All.Compound.Names":"Decalin|Dtxsid1024912","logHenry":-1.417,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.702,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.135,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.914,"logWSol.Reference":"EPA-CCD-OPERA","MP":-33.92,"MP.Reference":"EPA-CCD-OPERA","MW":138.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-17-8"}
{"Compound":"Quinoxaline","CAS":"91-19-0","CAS.Checksum":true,"DTXSID":"DTXSID6049432","Formula":"C8H6N2","All.Compound.Names":"Quinoxaline|Dtxsid6049432|91-19-0","logHenry":-6.35,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.322,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.878,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.694,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.93,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-19-0"}
{"Compound":"1,2,3,4-tetrahydroisoquinoline","CAS":"91-21-4","CAS.Checksum":true,"DTXSID":"DTXSID6026115","Formula":"C9H11N","All.Compound.Names":"1,2,3,4-tetrahydroisoquinoline|Dtxsid6026115|91-21-4","logHenry":-5.621,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.927,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.517,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.695,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.29,"MP.Reference":"EPA-CCD-OPERA","MW":133.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-21-4"}
{"Compound":"1-methoxy-2-nitrobenzene","CAS":"91-23-6","CAS.Checksum":true,"DTXSID":"DTXSID3020962","Formula":"C7H7NO3","All.Compound.Names":"1-methoxy-2-nitrobenzene|Dtxsid3020962|91-23-6","logHenry":-5.124,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.731,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.582,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.985,"logWSol.Reference":"EPA-CCD-OPERA","MP":10.86,"MP.Reference":"EPA-CCD-OPERA","MW":153.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-23-6"}
{"Compound":"Benzthiazide","CAS":"91-33-8","CAS.Checksum":true,"DTXSID":"DTXSID4022658","Formula":"C15H14ClN3O4S3","All.Compound.Names":"Benzthiazide|91-33-8|Dtxsid4022658","logHenry":-10.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.73,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.695,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.685,"logWSol.Reference":"EPA-CCD-OPERA","MP":231.5,"MP.Reference":"EPA-CCD-OPERA","MW":431.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.25,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"91-33-8"}
{"Compound":"7-diethylamino-4-methylcoumarin","CAS":"91-44-1","CAS.Checksum":true,"DTXSID":"DTXSID9025035","Formula":"C14H17NO2","All.Compound.Names":"7-diethylamino-4-methylcoumarin|Dtxsid9025035|91-44-1","logHenry":-7.655,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.866,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.088,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.246,"logWSol.Reference":"EPA-CCD-OPERA","MP":115.3,"MP.Reference":"EPA-CCD-OPERA","MW":231.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-44-1"}
{"Compound":"Isatin","CAS":"91-56-5","CAS.Checksum":true,"DTXSID":"DTXSID3038694","Formula":"C8H5NO2","All.Compound.Names":"Isatin|Dtxsid3038694|91-56-5","logHenry":-8.696,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8308,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.373,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.951,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.4,"MP.Reference":"EPA-CCD-OPERA","MW":147.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-56-5"}
{"Compound":"2-methylnaphthalene","CAS":"91-57-6","CAS.Checksum":true,"DTXSID":"DTXSID4020878","Formula":"C11H10","All.Compound.Names":"2-methylnaphthalene|Dtxsid4020878","logHenry":-3.285,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.862,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.968,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.763,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.41,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-57-6"}
{"Compound":"2-chloronaphthalene","CAS":"91-58-7","CAS.Checksum":true,"DTXSID":"DTXSID8023971","Formula":"C10H7Cl","All.Compound.Names":"2-chloronaphthalene|Dtxsid8023971","logHenry":-3.493,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.022,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.778,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.147,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.6,"MP.Reference":"EPA-CCD-OPERA","MW":162.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-58-7"}
{"Compound":"6-methyl-1,2,3,4-tetrahydroquinoline","CAS":"91-61-2","CAS.Checksum":true,"DTXSID":"DTXSID6047444","Formula":"C10H13N","All.Compound.Names":"6-methyl-1,2,3,4-tetrahydroquinoline|Dtxsid6047444|91-61-2","logHenry":-5.752,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.499,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.269,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.544,"logWSol.Reference":"EPA-CCD-OPERA","MP":81.73,"MP.Reference":"EPA-CCD-OPERA","MW":147.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-61-2"}
{"Compound":"Quinaldine","CAS":"91-63-4","CAS.Checksum":true,"DTXSID":"DTXSID3040271","Formula":"C10H9N","All.Compound.Names":"Quinaldine|2-methylquinoline|Dtxsid3040271|91-63-4","logHenry":-4.349,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.59,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.152,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.365,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.325,"MP.Reference":"EPA-CCD-OPERA","MW":143.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-63-4"}
{"Compound":"N,n-diethylcyclohexylamine","CAS":"91-65-6","CAS.Checksum":true,"DTXSID":"DTXSID6021799","Formula":"C10H21N","All.Compound.Names":"N,n-diethylcyclohexylamine|Dtxsid6021799|91-65-6","logHenry":-3.6,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.725,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.244,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.841,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.23,"MP.Reference":"EPA-CCD-OPERA","MW":155.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-65-6"}
{"Compound":"N,n-diethyl-m-toluidine","CAS":"91-67-8","CAS.Checksum":true,"DTXSID":"DTXSID1052610","Formula":"C11H17N","All.Compound.Names":"N,n-diethyl-m-toluidine|Dtxsid1052610|91-67-8","logHenry":-3.308,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.461,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.263,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.637,"logWSol.Reference":"EPA-CCD-OPERA","MP":-49.67,"MP.Reference":"EPA-CCD-OPERA","MW":163.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-67-8"}
{"Compound":"3-diethylaminophenol","CAS":"91-68-9","CAS.Checksum":true,"DTXSID":"DTXSID9025037","Formula":"C10H15NO","All.Compound.Names":"3-diethylaminophenol|Dtxsid9025037|91-68-9","logHenry":-6.55,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.565,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.878,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.691,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.83,"MP.Reference":"EPA-CCD-OPERA","MW":165.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-68-9"}
{"Compound":"6-phenyl-1,3,5-triazine-2,4-diamine","CAS":"91-76-9","CAS.Checksum":true,"DTXSID":"DTXSID1020142","Formula":"C9H9N5","All.Compound.Names":"6-phenyl-1,3,5-triazine-2,4-diamine|2,4-diamino-6-phenyl-1,3,5-triazine|Dtxsid1020142|91-76-9","logHenry":-8.015,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.362,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.672,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.494,"logWSol.Reference":"EPA-CCD-OPERA","MP":226.5,"MP.Reference":"EPA-CCD-OPERA","MW":187.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.18","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0.343,0.3119,0.3741","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"91-76-9"}
{"Compound":"Thenyldiamine","CAS":"91-79-2","CAS.Checksum":true,"DTXSID":"DTXSID0021335","Formula":"C14H19N3S","All.Compound.Names":"Thenyldiamine|Dtxsid0021335|91-79-2","logHenry":-5.603,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.131,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.582,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.154,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.7,"MP.Reference":"EPA-CCD-OPERA","MW":261.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-79-2"}
{"Compound":"Pyrilamine","CAS":"91-84-9","CAS.Checksum":true,"DTXSID":"DTXSID9023542","Formula":"C17H23N3O","All.Compound.Names":"Pyrilamine|Dtxsid9023542|91-84-9","logHenry":-5.181,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.27,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.604,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.495,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.07,"MP.Reference":"EPA-CCD-OPERA","MW":285.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-84-9"}
{"Compound":"2-(n-ethyl-m-toluidino)ethanol","CAS":"91-88-3","CAS.Checksum":true,"DTXSID":"DTXSID3021801","Formula":"C11H17NO","All.Compound.Names":"2-(n-ethyl-m-toluidino)ethanol|Dtxsid3021801|91-88-3","logHenry":-6.324,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.969,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.687,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.901,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.04,"MP.Reference":"EPA-CCD-OPERA","MW":179.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-88-3"}
{"Compound":"3,3'-dimethoxybenzidine-4,4'-diisocyanate","CAS":"91-93-0","CAS.Checksum":true,"DTXSID":"DTXSID6020484","Formula":"C16H12N2O4","All.Compound.Names":"3,3'-dimethoxybenzidine-4,4'-diisocyanate|Dtxsid6020484|91-93-0","logHenry":-6.14,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.511,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.667,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.694,"logWSol.Reference":"EPA-CCD-OPERA","MP":114,"MP.Reference":"EPA-CCD-OPERA","MW":296.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-93-0"}
{"Compound":"3,3'-dichlorobenzidine","CAS":"91-94-1","CAS.Checksum":true,"DTXSID":"DTXSID6020432","Formula":"C12H10Cl2N2","All.Compound.Names":"3,3'-dichlorobenzidine|Dtxsid6020432|91-94-1","logHenry":-7.188,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.509,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.597,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.91,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.5,"MP.Reference":"EPA-CCD-OPERA","MW":253.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-94-1"}
{"Compound":"3,3'-diaminobenzidine","CAS":"91-95-2","CAS.Checksum":true,"DTXSID":"DTXSID2036827","Formula":"C12H14N4","All.Compound.Names":"3,3'-diaminobenzidine|Dtxsid2036827|91-95-2","logHenry":-8.023,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.977,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.414,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.664,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.1,"MP.Reference":"EPA-CCD-OPERA","MW":214.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-95-2"}
{"Compound":"C10-21 sulfonic acids phenyl esters","CAS":"91082-17-6","CAS.Checksum":true,"DTXSID":"DTXSID1047526","All.Compound.Names":"C10-21 sulfonic acids phenyl esters|C10-21 alkanesulfonic acids phenyl esters","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91082-17-6"}
{"Compound":"Clomiphene","CAS":"911-45-5","CAS.Checksum":true,"DTXSID":"DTXSID1022843","Formula":"C26H28ClNO","All.Compound.Names":"Clomiphene|911-45-5|Dtxsid1022843","logHenry":-6.751,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.855,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.833,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.378,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.48,"MP.Reference":"EPA-CCD-OPERA","MW":406,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"911-45-5"}
{"Compound":"Etonitazene","CAS":"911-65-9","CAS.Checksum":true,"DTXSID":"DTXSID6048919","Formula":"C22H28N4O3","All.Compound.Names":"Etonitazene|Dtxsid6048919|911-65-9","logHenry":-5.789,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.693,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.997,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.673,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.2,"MP.Reference":"EPA-CCD-OPERA","MW":396.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"911-65-9"}
{"Compound":"Ammonium glycyrrhizinate trihydrate","CAS":"911217-00-0","CAS.Checksum":true,"DTXSID":"DTXSID5047243","Formula":"C42H71NO19","All.Compound.Names":"Ammonium glycyrrhizinate trihydrate|Dtxsid5047243|911217-00-0","logHenry":-10.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.845,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.743,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.578,"logWSol.Reference":"EPA-CCD-OPERA","MP":251.3,"MP.Reference":"EPA-CCD-OPERA","MW":894,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.48","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"911217-00-0"}
{"Compound":"Terbinafine","CAS":"91161-71-6","CAS.Checksum":true,"DTXSID":"DTXSID2023640","Formula":"C21H25N","All.Compound.Names":"Terbinafine|91161-71-6|Dtxsid2023640","logHenry":-6.167,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.998,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.781,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.227,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.79,"MP.Reference":"EPA-CCD-OPERA","MW":291.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.4,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"91161-71-6"}
{"Compound":"Nandrolone cyclohexylpropionate","CAS":"912-57-2","CAS.Checksum":true,"DTXSID":"DTXSID3057852","Formula":"C27H40O3","All.Compound.Names":"Nandrolone cyclohexylpropionate|Dtxsid3057852","logHenry":-7.067,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.625,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.064,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.774,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.5,"MP.Reference":"EPA-CCD-OPERA","MW":412.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"912-57-2"}
{"Compound":"Difloxacin hydrochloride","CAS":"91296-86-5","CAS.Checksum":true,"DTXSID":"DTXSID2046599","Formula":"C21H20ClF2N3O3","All.Compound.Names":"Difloxacin hydrochloride|Dtxsid2046599|91296-86-5","logHenry":-8.778,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.165,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.204,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.482,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.3,"MP.Reference":"EPA-CCD-OPERA","MW":435.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91296-86-5"}
{"Compound":"Sarafloxacin hydrochloride","CAS":"91296-87-6","CAS.Checksum":true,"DTXSID":"DTXSID8045939","Formula":"C20H18ClF2N3O3","All.Compound.Names":"Sarafloxacin hydrochloride|Dtxsid8045939|91296-87-6","logHenry":-10.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.064,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.421,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.585,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.9,"MP.Reference":"EPA-CCD-OPERA","MW":421.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91296-87-6"}
{"Compound":"Rubitecan","CAS":"91421-42-0","CAS.Checksum":true,"DTXSID":"DTXSID7046752","Formula":"C20H15N3O6","All.Compound.Names":"Rubitecan|Dtxsid7046752|91421-42-0","logHenry":-10.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.905,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.345,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.971,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.8,"MP.Reference":"EPA-CCD-OPERA","MW":393.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91421-42-0"}
{"Compound":"Lambda-cyhalothrin","CAS":"91465-08-6","CAS.Checksum":true,"DTXSID":"DTXSID7032559","Formula":"C23H19ClF3NO3","All.Compound.Names":"Lambda-cyhalothrin|Dtxsid7032559","logHenry":-7.949,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.799,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.892,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.657,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.36,"MP.Reference":"EPA-CCD-OPERA","MW":449.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91465-08-6"}
{"Compound":"Amaranth","CAS":"915-67-3","CAS.Checksum":true,"DTXSID":"DTXSID2021232","Formula":"C20H11N2Na3O10S3","All.Compound.Names":"Amaranth|Dtxsid2021232|915-67-3","logHenry":-10.19,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.044,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.432,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6264,"logWSol.Reference":"EPA-CCD-OPERA","MP":226.6,"MP.Reference":"EPA-CCD-OPERA","MW":604.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"915-67-3"}
{"Compound":"Flurbiprofen axetil","CAS":"91503-79-6","CAS.Checksum":true,"DTXSID":"DTXSID8048600","Formula":"C19H19FO4","All.Compound.Names":"Flurbiprofen axetil|Dtxsid8048600","logHenry":-7.829,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.007,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.592,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.026,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.2,"MP.Reference":"EPA-CCD-OPERA","MW":330.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91503-79-6"}
{"Compound":"Rac benidipine hydrochloride","CAS":"91599-74-5","CAS.Checksum":true,"DTXSID":"DTXSID2049050","Formula":"C28H32ClN3O6","All.Compound.Names":"Rac benidipine hydrochloride|Dtxsid2049050|91599-74-5","logHenry":-7.486,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.754,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.926,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.435,"logWSol.Reference":"EPA-CCD-OPERA","MP":143.2,"MP.Reference":"EPA-CCD-OPERA","MW":542,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91599-74-5"}
{"Compound":"Ibafloxacine","CAS":"91618-36-9","CAS.Checksum":true,"DTXSID":"DTXSID8057853","Formula":"C15H14FNO3","All.Compound.Names":"Ibafloxacine|Dtxsid8057853|91618-36-9","logHenry":-8.674,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.726,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.076,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.201,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.5,"MP.Reference":"EPA-CCD-OPERA","MW":275.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91618-36-9"}
{"Compound":"Pentaerythritol allyl ether","CAS":"91648-24-7","CAS.Checksum":true,"DTXSID":"DTXSID9044580","All.Compound.Names":"Pentaerythritol allyl ether","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91648-24-7"}
{"Compound":"1,1,1-trichloropropanone","CAS":"918-00-3","CAS.Checksum":true,"DTXSID":"DTXSID5021679","Formula":"C3H3Cl3O","All.Compound.Names":"1,1,1-trichloropropanone|Dtxsid5021679","logHenry":-4.553,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.803,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.666,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9918,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.726,"MP.Reference":"EPA-CCD-OPERA","MW":161.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"918-00-3"}
{"Compound":"Cefdinir","CAS":"91832-40-5","CAS.Checksum":true,"DTXSID":"DTXSID8046084","Formula":"C14H13N5O5S2","All.Compound.Names":"Cefdinir|91832-40-5|Dtxsid8046084","logHenry":-10.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2278,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.675,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.559,"logWSol.Reference":"EPA-CCD-OPERA","MP":201,"MP.Reference":"EPA-CCD-OPERA","MW":395.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.65","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.185,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"91832-40-5"}
{"Compound":"Bosutinib methanoate","CAS":"918639-10-8","CAS.Checksum":true,"DTXSID":"DTXSID7049051","Formula":"C27H33Cl2N5O4","All.Compound.Names":"Bosutinib methanoate|Dtxsid7049051|918639-10-8","logHenry":-9.61,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.339,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.229,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.615,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.7,"MP.Reference":"EPA-CCD-OPERA","MW":562.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"918639-10-8"}
{"Compound":"3-aminopropyltriethoxysilane","CAS":"919-30-2","CAS.Checksum":true,"DTXSID":"DTXSID2027333","Formula":"C9H23NO3Si","All.Compound.Names":"3-aminopropyltriethoxysilane|Dtxsid2027333|919-30-2","logHenry":-5.552,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.894,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.829,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.472,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.4,"MP.Reference":"EPA-CCD-OPERA","MW":221.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"919-30-2"}
{"Compound":"3-(triethoxysilyl)propionitrile","CAS":"919-31-3","CAS.Checksum":true,"DTXSID":"DTXSID7027334","Formula":"C9H19NO3Si","All.Compound.Names":"3-(triethoxysilyl)propionitrile|Dtxsid7027334","logHenry":-6.38,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.08,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.781,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.418,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.39,"MP.Reference":"EPA-CCD-OPERA","MW":217.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"919-31-3"}
{"Compound":"Zatebradine hydrochloride","CAS":"91940-87-3","CAS.Checksum":true,"DTXSID":"DTXSID6045745","Formula":"C26H37ClN2O5","All.Compound.Names":"Zatebradine hydrochloride|Dtxsid6045745|91940-87-3","logHenry":-6.503,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.969,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.71,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.6,"MP.Reference":"EPA-CCD-OPERA","MW":493,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91940-87-3"}
{"Compound":"Ethanol, 2,2'-[(3-chlorophenyl)imino]bis-","CAS":"92-00-2","CAS.Checksum":true,"DTXSID":"DTXSID4026557","Formula":"C10H14ClNO2","All.Compound.Names":"Ethanol, 2,2'-[(3-chlorophenyl)imino]bis-|2,2'-(3-chlorophenylimino)diethanol|Dtxsid4026557|92-00-2","logHenry":-9.083,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.539,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.615,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.333,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.7,"MP.Reference":"EPA-CCD-OPERA","MW":215.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-00-2"}
{"Compound":"1,1':3',1''-terphenyl","CAS":"92-06-8","CAS.Checksum":true,"DTXSID":"DTXSID2029117","Formula":"C18H14","All.Compound.Names":"1,1':3',1''-terphenyl|Dtxsid2029117","logHenry":-5.227,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.908,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.737,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.019,"logWSol.Reference":"EPA-CCD-OPERA","MP":117.6,"MP.Reference":"EPA-CCD-OPERA","MW":230.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-06-8"}
{"Compound":"Pilocarpine","CAS":"92-13-7","CAS.Checksum":true,"DTXSID":"DTXSID1021162","Formula":"C11H16N2O2","All.Compound.Names":"Pilocarpine|Dtxsid1021162|92-13-7","logHenry":-8.27,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1206,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.264,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3366,"logWSol.Reference":"EPA-CCD-OPERA","MP":33.95,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-13-7"}
{"Compound":"N-(2-methoxyphenyl)-3-oxobutanamide","CAS":"92-15-9","CAS.Checksum":true,"DTXSID":"DTXSID9026558","Formula":"C11H13NO3","All.Compound.Names":"N-(2-methoxyphenyl)-3-oxobutanamide|Dtxsid9026558|92-15-9","logHenry":-10,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.294,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.322,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.133,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.09,"MP.Reference":"EPA-CCD-OPERA","MW":207.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-15-9"}
{"Compound":"Toluidine blue","CAS":"92-31-9","CAS.Checksum":true,"DTXSID":"DTXSID9048728","Formula":"C15H16ClN3S","All.Compound.Names":"Toluidine blue|Tolonium chloride|Dtxsid9048728|92-31-9","logHenry":-7.053,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8798,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.834,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.906,"logWSol.Reference":"EPA-CCD-OPERA","MP":153,"MP.Reference":"EPA-CCD-OPERA","MW":305.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-31-9"}
{"Compound":"2-chlorophenothiazine","CAS":"92-39-7","CAS.Checksum":true,"DTXSID":"DTXSID3057854","Formula":"C12H8ClNS","All.Compound.Names":"2-chlorophenothiazine|Dtxsid3057854|92-39-7","logHenry":-7.303,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.147,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.597,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.892,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.9,"MP.Reference":"EPA-CCD-OPERA","MW":233.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-39-7"}
{"Compound":"3-pyrazolidinone,1-phenyl-","CAS":"92-43-3","CAS.Checksum":true,"DTXSID":"DTXSID1049433","Formula":"C9H10N2O","All.Compound.Names":"3-pyrazolidinone,1-phenyl-|1-phenyl-3-pyrazolidinone|Dtxsid1049433|92-43-3","logHenry":-7.5,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8923,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.821,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.741,"logWSol.Reference":"EPA-CCD-OPERA","MP":126,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-43-3"}
{"Compound":"2,3-dihydroxynaphthalene","CAS":"92-44-4","CAS.Checksum":true,"DTXSID":"DTXSID2043903","Formula":"C10H8O2","All.Compound.Names":"2,3-dihydroxynaphthalene|Dtxsid2043903|92-44-4","logHenry":-7.107,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.239,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.723,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.736,"logWSol.Reference":"EPA-CCD-OPERA","MP":162,"MP.Reference":"EPA-CCD-OPERA","MW":160.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-44-4"}
{"Compound":"6-methyl coumarin","CAS":"92-48-8","CAS.Checksum":true,"DTXSID":"DTXSID9025588","Formula":"C10H8O2","All.Compound.Names":"6-methyl coumarin|Dtxsid9025588","logHenry":-7.329,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.557,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.783,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.272,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.67,"MP.Reference":"EPA-CCD-OPERA","MW":160.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-48-8"}
{"Compound":"Dicyclohexyl","CAS":"92-51-3","CAS.Checksum":true,"DTXSID":"DTXSID8021802","Formula":"C12H22","All.Compound.Names":"Dicyclohexyl|1,1'-bicyclohexyl|Dtxsid8021802","logHenry":-1.412,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.648,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.07311,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.261,"logWSol.Reference":"EPA-CCD-OPERA","MP":3.37,"MP.Reference":"EPA-CCD-OPERA","MW":166.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-51-3"}
{"Compound":"Phenylpiperazine","CAS":"92-54-6","CAS.Checksum":true,"DTXSID":"DTXSID8057855","Formula":"C10H14N2","All.Compound.Names":"Phenylpiperazine|Dtxsid8057855|92-54-6","logHenry":-6.587,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.101,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.452,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8381,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.86,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-54-6"}
{"Compound":"5-nitro-2-furanmethanediol diacetate","CAS":"92-55-7","CAS.Checksum":true,"DTXSID":"DTXSID5020946","Formula":"C9H9NO7","All.Compound.Names":"5-nitro-2-furanmethanediol diacetate|Dtxsid5020946|92-55-7","logHenry":-8.791,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.062,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.242,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.754,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.97,"MP.Reference":"EPA-CCD-OPERA","MW":243.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-1.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-55-7"}
{"Compound":"N-ethyl-n-phenyl benzylamine","CAS":"92-59-1","CAS.Checksum":true,"DTXSID":"DTXSID0025315","Formula":"C15H17N","All.Compound.Names":"N-ethyl-n-phenyl benzylamine|Dtxsid0025315|92-59-1","logHenry":-4.456,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.995,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.419,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.886,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.37,"MP.Reference":"EPA-CCD-OPERA","MW":211.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-59-1"}
{"Compound":"4-bromobiphenyl","CAS":"92-66-0","CAS.Checksum":true,"DTXSID":"DTXSID4024640","Formula":"C12H9Br","All.Compound.Names":"4-bromobiphenyl|Dtxsid4024640","logHenry":-3.596,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.958,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.477,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.548,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.5,"MP.Reference":"EPA-CCD-OPERA","MW":233.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-66-0"}
{"Compound":"4-biphenylamine","CAS":"92-67-1","CAS.Checksum":true,"DTXSID":"DTXSID5020071","Formula":"C12H11N","All.Compound.Names":"4-biphenylamine|Dtxsid5020071|92-67-1","logHenry":-6.651,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.86,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.408,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.348,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.61,"MP.Reference":"EPA-CCD-OPERA","MW":169.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-67-1"}
{"Compound":"4-cyclohexylcyclohexanone","CAS":"92-68-2","CAS.Checksum":true,"DTXSID":"DTXSID8040721","Formula":"C12H20O","All.Compound.Names":"4-cyclohexylcyclohexanone|Dtxsid8040721","logHenry":-3.794,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.667,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.894,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.191,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.91,"MP.Reference":"EPA-CCD-OPERA","MW":180.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-68-2"}
{"Compound":"4-phenylphenol","CAS":"92-69-3","CAS.Checksum":true,"DTXSID":"DTXSID7021152","Formula":"C12H10O","All.Compound.Names":"4-phenylphenol|Dtxsid7021152|92-69-3","logHenry":-6.991,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.201,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.998,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.476,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.1,"MP.Reference":"EPA-CCD-OPERA","MW":170.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-69-3"}
{"Compound":"3-hydroxy-2-naphthoic acid","CAS":"92-70-6","CAS.Checksum":true,"DTXSID":"DTXSID3026560","Formula":"C11H8O3","All.Compound.Names":"3-hydroxy-2-naphthoic acid|Dtxsid3026560|92-70-6","logHenry":-8.106,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.047,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.062,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.3,"MP.Reference":"EPA-CCD-OPERA","MW":188.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-70-6"}
{"Compound":"4,4'-biphenyldiol","CAS":"92-88-6","CAS.Checksum":true,"DTXSID":"DTXSID1029120","Formula":"C12H10O2","All.Compound.Names":"4,4'-biphenyldiol|Dtxsid1029120|92-88-6","logHenry":-6.901,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.109,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.045,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.544,"logWSol.Reference":"EPA-CCD-OPERA","MP":281.8,"MP.Reference":"EPA-CCD-OPERA","MW":186.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-88-6"}
{"Compound":"4'-acetylbiphenyl","CAS":"92-91-1","CAS.Checksum":true,"DTXSID":"DTXSID6052619","Formula":"C14H12O","All.Compound.Names":"4'-acetylbiphenyl|Dtxsid6052619","logHenry":-5.898,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.379,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.993,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.313,"logWSol.Reference":"EPA-CCD-OPERA","MP":119.2,"MP.Reference":"EPA-CCD-OPERA","MW":196.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-91-1"}
{"Compound":"1,1':4',1''-terphenyl","CAS":"92-94-4","CAS.Checksum":true,"DTXSID":"DTXSID6029121","Formula":"C18H14","All.Compound.Names":"1,1':4',1''-terphenyl|Dtxsid6029121","logHenry":-5.245,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.029,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.616,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.019,"logWSol.Reference":"EPA-CCD-OPERA","MP":117.6,"MP.Reference":"EPA-CCD-OPERA","MW":230.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-94-4"}
{"Compound":"1,1,3-trichloropropanone","CAS":"921-03-9","CAS.Checksum":true,"DTXSID":"DTXSID4021680","Formula":"C3H3Cl3O","All.Compound.Names":"1,1,3-trichloropropanone|Dtxsid4021680","logHenry":-6.218,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.555,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.358,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6465,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.892,"MP.Reference":"EPA-CCD-OPERA","MW":161.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"921-03-9"}
{"Compound":"3-(hydroxymethyl)pentane-2,4-diol","CAS":"921-20-0","CAS.Checksum":true,"DTXSID":"DTXSID3041370","Formula":"C6H14O3","All.Compound.Names":"3-(hydroxymethyl)pentane-2,4-diol|Dtxsid3041370|921-20-0","logHenry":-7.883,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.8331,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.09,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6109,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.2,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"921-20-0"}
{"Compound":"Tert-butyl-3-aminobenzoate","CAS":"92146-82-2","CAS.Checksum":true,"DTXSID":"DTXSID4049373","Formula":"C11H15NO2","All.Compound.Names":"Tert-butyl-3-aminobenzoate|Dtxsid4049373|92146-82-2","logHenry":-8.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.354,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.862,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.59,"MP.Reference":"EPA-CCD-OPERA","MW":193.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92146-82-2"}
{"Compound":"2-hydroxypropyl 2-methylacrylate","CAS":"923-26-2","CAS.Checksum":true,"DTXSID":"DTXSID1029629","Formula":"C7H12O3","All.Compound.Names":"2-hydroxypropyl 2-methylacrylate|Dtxsid1029629|923-26-2","logHenry":-7.417,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9677,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.687,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2215,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.58,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"923-26-2"}
{"Compound":"4-amino-3-hydroxybutyric acid","CAS":"924-49-2","CAS.Checksum":true,"DTXSID":"DTXSID1045877","Formula":"C4H9NO3","All.Compound.Names":"4-amino-3-hydroxybutyric acid|Dtxsid1045877|924-49-2","logHenry":-7.963,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.626,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.4,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2723,"logWSol.Reference":"EPA-CCD-OPERA","MP":221.5,"MP.Reference":"EPA-CCD-OPERA","MW":119.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.81","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"924-49-2"}
{"Compound":"Dipropan-2-yl butanedioate","CAS":"924-88-9","CAS.Checksum":true,"DTXSID":"DTXSID9044740","Formula":"C10H18O4","All.Compound.Names":"Dipropan-2-yl butanedioate|Dtxsid9044740","logHenry":-5.361,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.691,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.526,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.335,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.32,"MP.Reference":"EPA-CCD-OPERA","MW":202.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"924-88-9"}
{"Compound":"Isopropyl methanesulfonate","CAS":"926-06-7","CAS.Checksum":true,"DTXSID":"DTXSID8031497","Formula":"C4H10O3S","All.Compound.Names":"Isopropyl methanesulfonate|Dtxsid8031497","logHenry":-3.391,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9239,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.337,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6547,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.5231,"MP.Reference":"EPA-CCD-OPERA","MW":138.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"926-06-7"}
{"Compound":"2-aminoethyl hydrogen sulfate","CAS":"926-39-6","CAS.Checksum":true,"DTXSID":"DTXSID3044469","Formula":"C2H7NO4S","All.Compound.Names":"2-aminoethyl hydrogen sulfate|Dtxsid3044469|926-39-6","logHenry":-7.777,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.93,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.517,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.02355,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.1,"MP.Reference":"EPA-CCD-OPERA","MW":141.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"926-39-6"}
{"Compound":"1,3-dichloro-2-butene","CAS":"926-57-8","CAS.Checksum":true,"DTXSID":"DTXSID7027338","Formula":"C4H6Cl2","All.Compound.Names":"1,3-dichloro-2-butene|Dtxsid7027338","logHenry":-3.436,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.723,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.933,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.16,"logWSol.Reference":"EPA-CCD-OPERA","MP":-30.26,"MP.Reference":"EPA-CCD-OPERA","MW":125,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"926-57-8"}
{"Compound":"Pravadoline","CAS":"92623-83-1","CAS.Checksum":true,"DTXSID":"DTXSID2046127","Formula":"C23H26N2O3","All.Compound.Names":"Pravadoline|Dtxsid2046127|92623-83-1","logHenry":-6.858,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.693,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.995,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.065,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.1,"MP.Reference":"EPA-CCD-OPERA","MW":378.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92623-83-1"}
{"Compound":"Dipotassium glycerophosphate","CAS":"927-19-5","CAS.Checksum":true,"DTXSID":"DTXSID2048616","Formula":"C3H7K2O6P","All.Compound.Names":"Dipotassium glycerophosphate|Dipotassium 2,3-dihydroxypropyl phosphate|Dtxsid2048616|927-19-5","logHenry":-10.49,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.799,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.98,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7624,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.6,"MP.Reference":"EPA-CCD-OPERA","MW":248.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.71","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"927-19-5"}
{"Compound":"1-butanamine, n,n-dimethyl-","CAS":"927-62-8","CAS.Checksum":true,"DTXSID":"DTXSID8047472","Formula":"C6H15N","All.Compound.Names":"1-butanamine, n,n-dimethyl-|N,n-dimethylbutylamine|Dtxsid8047472|927-62-8","logHenry":-4.121,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.699,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.469,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.0561,"logWSol.Reference":"EPA-CCD-OPERA","MP":-125.3,"MP.Reference":"EPA-CCD-OPERA","MW":101.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"927-62-8"}
{"Compound":"(e)-2-hexen-1-ol","CAS":"928-95-0","CAS.Checksum":true,"DTXSID":"DTXSID2047062","Formula":"C6H12O","All.Compound.Names":"(e)-2-hexen-1-ol|Dtxsid2047062|928-95-0","logHenry":-5.114,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.196,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.453,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7388,"logWSol.Reference":"EPA-CCD-OPERA","MP":-42.67,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"928-95-0"}
{"Compound":"(z)-3-hexen-1-ol","CAS":"928-96-1","CAS.Checksum":true,"DTXSID":"DTXSID6022137","Formula":"C6H12O","All.Compound.Names":"(z)-3-hexen-1-ol|Dtxsid6022137|928-96-1","logHenry":-5.114,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.197,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.452,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5889,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.59,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"928-96-1"}
{"Compound":"(e)-3-hexen-1-ol","CAS":"928-97-2","CAS.Checksum":true,"DTXSID":"DTXSID1022138","Formula":"C6H12O","All.Compound.Names":"(e)-3-hexen-1-ol|Trans-hex-3-en-1-ol|Dtxsid1022138|928-97-2","logHenry":-5.114,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.197,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.452,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5889,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.59,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"928-97-2"}
{"Compound":"(4r,5s)-(-)-1,5-dimethyl-4-phenyl-2-imidazolidinone","CAS":"92841-65-1","CAS.Checksum":true,"DTXSID":"DTXSID9049374","Formula":"C11H14N2O","All.Compound.Names":"(4r,5s)-(-)-1,5-dimethyl-4-phenyl-2-imidazolidinone|Dtxsid9049374|92841-65-1","logHenry":-8.883,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.798,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.957,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.214,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.3,"MP.Reference":"EPA-CCD-OPERA","MW":190.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92841-65-1"}
{"Compound":"2-(2-aminoethoxy)ethanol","CAS":"929-06-6","CAS.Checksum":true,"DTXSID":"DTXSID6027341","Formula":"C4H11NO2","All.Compound.Names":"2-(2-aminoethoxy)ethanol|Dtxsid6027341|929-06-6","logHenry":-8.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.099,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.299,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9681,"logWSol.Reference":"EPA-CCD-OPERA","MP":7.12,"MP.Reference":"EPA-CCD-OPERA","MW":105.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"929-06-6"}
{"Compound":"2,2'-[ethane-1,2-diylbis(oxy)]diethanamine","CAS":"929-59-9","CAS.Checksum":true,"DTXSID":"DTXSID9044742","Formula":"C6H16N2O2","All.Compound.Names":"2,2'-[ethane-1,2-diylbis(oxy)]diethanamine|Dtxsid9044742|929-59-9","logHenry":-8.333,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4372,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5794,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.1,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"929-59-9"}
{"Compound":"Dodecylamine hydrochloride","CAS":"929-73-7","CAS.Checksum":true,"DTXSID":"DTXSID9044322","Formula":"C12H28ClN","All.Compound.Names":"Dodecylamine hydrochloride|Dtxsid9044322|929-73-7","logHenry":-4.646,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.849,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.736,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.377,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.7,"MP.Reference":"EPA-CCD-OPERA","MW":221.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"929-73-7"}
{"Compound":"Clofilium tosylate","CAS":"92953-10-1","CAS.Checksum":true,"DTXSID":"DTXSID7045601","Formula":"C28H44ClNO3S","All.Compound.Names":"Clofilium tosylate|Dtxsid7045601|92953-10-1","logHenry":-5.35,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8149,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.055,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.249,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.9,"MP.Reference":"EPA-CCD-OPERA","MW":510.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92953-10-1"}
{"Compound":"Sr58611","CAS":"929601-09-2","CAS.Checksum":true,"DTXSID":"DTXSID1047360","Formula":"C22H27Cl2NO4","All.Compound.Names":"Sr58611|Dtxsid1047360|929601-09-2","logHenry":-10.06,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.033,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.484,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.465,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.8,"MP.Reference":"EPA-CCD-OPERA","MW":440.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"929601-09-2"}
{"Compound":"6-aminonaphthalene-2-sulfonic acid","CAS":"93-00-5","CAS.Checksum":true,"DTXSID":"DTXSID4044743","Formula":"C10H9NO3S","All.Compound.Names":"6-aminonaphthalene-2-sulfonic acid|Dtxsid4044743|93-00-5","logHenry":-8.566,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2817,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.666,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.003,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.4,"MP.Reference":"EPA-CCD-OPERA","MW":223.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-00-5"}
{"Compound":"2,5-dimethoxybenzaldehyde","CAS":"93-02-7","CAS.Checksum":true,"DTXSID":"DTXSID5052620","Formula":"C9H10O3","All.Compound.Names":"2,5-dimethoxybenzaldehyde|Dtxsid5052620","logHenry":-5.615,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.909,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.882,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.3,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.46,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-02-7"}
{"Compound":"2-methoxynaphthalene","CAS":"93-04-9","CAS.Checksum":true,"DTXSID":"DTXSID7044392","Formula":"C11H10O","All.Compound.Names":"2-methoxynaphthalene|Dtxsid7044392","logHenry":-3.823,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.469,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.317,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.791,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.69,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-04-9"}
{"Compound":"N,n-diethylbenzene-1,4-diamine","CAS":"93-05-0","CAS.Checksum":true,"DTXSID":"DTXSID2025058","Formula":"C10H16N2","All.Compound.Names":"N,n-diethylbenzene-1,4-diamine|N,n-diethyl-4-aminoaniline|Dtxsid2025058|93-05-0","logHenry":-6.556,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.753,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.827,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6459,"logWSol.Reference":"EPA-CCD-OPERA","MP":88.31,"MP.Reference":"EPA-CCD-OPERA","MW":164.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-05-0"}
{"Compound":"2'-acetonaphthone","CAS":"93-08-3","CAS.Checksum":true,"DTXSID":"DTXSID2041389","Formula":"C12H10O","All.Compound.Names":"2'-acetonaphthone|Dtxsid2041389","logHenry":-5.756,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.05,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.856,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.803,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.44,"MP.Reference":"EPA-CCD-OPERA","MW":170.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-08-3"}
{"Compound":"Guaifenesin","CAS":"93-14-1","CAS.Checksum":true,"DTXSID":"DTXSID5023114","Formula":"C10H14O4","All.Compound.Names":"Guaifenesin|Dtxsid5023114|93-14-1","logHenry":-9.202,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.388,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.574,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6025,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.51,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-14-1"}
{"Compound":"4-prop-1-enylveratrole","CAS":"93-16-3","CAS.Checksum":true,"DTXSID":"DTXSID0052621","Formula":"C11H14O2","All.Compound.Names":"4-prop-1-enylveratrole|Dtxsid0052621","logHenry":-3.999,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.407,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.337,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.771,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.16,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-16-3"}
{"Compound":"Methoxyphenamine","CAS":"93-30-1","CAS.Checksum":true,"DTXSID":"DTXSID0023292","Formula":"C11H17NO","All.Compound.Names":"Methoxyphenamine|Dtxsid0023292|93-30-1","logHenry":-6.322,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.911,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.844,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.298,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.49,"MP.Reference":"EPA-CCD-OPERA","MW":179.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.05","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-30-1"}
{"Compound":"N,n'-di-2-naphthyl-p-phenylenediamine","CAS":"93-46-9","CAS.Checksum":true,"DTXSID":"DTXSID3020918","Formula":"C26H20N2","All.Compound.Names":"N,n'-di-2-naphthyl-p-phenylenediamine|Dtxsid3020918|93-46-9","logHenry":-6.735,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.454,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.221,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.736,"logWSol.Reference":"EPA-CCD-OPERA","MP":235,"MP.Reference":"EPA-CCD-OPERA","MW":360.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.11","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-46-9"}
{"Compound":"Verazide","CAS":"93-47-0","CAS.Checksum":true,"DTXSID":"DTXSID4045002","Formula":"C15H15N3O3","All.Compound.Names":"Verazide|Dtxsid4045002|93-47-0","logHenry":-7.947,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.789,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.039,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.178,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.9,"MP.Reference":"EPA-CCD-OPERA","MW":285.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-47-0"}
{"Compound":"2-methoxy-4-methylphenol","CAS":"93-51-6","CAS.Checksum":true,"DTXSID":"DTXSID6047105","Formula":"C8H10O2","All.Compound.Names":"2-methoxy-4-methylphenol|Dtxsid6047105|93-51-6","logHenry":-5.882,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.484,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.996,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.857,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.78,"MP.Reference":"EPA-CCD-OPERA","MW":138.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-51-6"}
{"Compound":"1,2-dibromo(phenyl)ethane","CAS":"93-52-7","CAS.Checksum":true,"DTXSID":"DTXSID7052735","Formula":"C8H8Br2","All.Compound.Names":"1,2-dibromo(phenyl)ethane|Dtxsid7052735","logHenry":-3.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.566,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.383,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.998,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.65,"MP.Reference":"EPA-CCD-OPERA","MW":264,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-52-7"}
{"Compound":"Hydratropaldehyde","CAS":"93-53-8","CAS.Checksum":true,"DTXSID":"DTXSID0052629","Formula":"C9H10O","All.Compound.Names":"Hydratropaldehyde|Dtxsid0052629","logHenry":-4.489,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.025,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.421,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.656,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.92,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-53-8"}
{"Compound":"1-phenyl-1-propanol","CAS":"93-54-9","CAS.Checksum":true,"DTXSID":"DTXSID2044474","Formula":"C9H12O","All.Compound.Names":"1-phenyl-1-propanol|Dtxsid2044474|93-54-9","logHenry":-6.207,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.146,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.139,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.004,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.49,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-54-9"}
{"Compound":"1-phenylpropan-1-one","CAS":"93-55-0","CAS.Checksum":true,"DTXSID":"DTXSID2044470","Formula":"C9H10O","All.Compound.Names":"1-phenylpropan-1-one|Dtxsid2044470","logHenry":-4.694,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.19,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.654,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.827,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.93,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-55-0"}
{"Compound":"Styrene glycol","CAS":"93-56-1","CAS.Checksum":true,"DTXSID":"DTXSID8042422","Formula":"C8H10O2","All.Compound.Names":"Styrene glycol|Dtxsid8042422|93-56-1","logHenry":-6.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8405,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.943,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9707,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.7,"MP.Reference":"EPA-CCD-OPERA","MW":138.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-56-1"}
{"Compound":"Methyl benzoate","CAS":"93-58-3","CAS.Checksum":true,"DTXSID":"DTXSID5025572","Formula":"C8H8O2","All.Compound.Names":"Methyl benzoate|Dtxsid5025572","logHenry":-7.405,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.12,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.333,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.824,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.45,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-58-3"}
{"Compound":"Methyl nicotinate","CAS":"93-60-7","CAS.Checksum":true,"DTXSID":"DTXSID7044471","Formula":"C7H7NO2","All.Compound.Names":"Methyl nicotinate|Dtxsid7044471|93-60-7","logHenry":-6.715,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8305,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.602,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4617,"logWSol.Reference":"EPA-CCD-OPERA","MP":36.88,"MP.Reference":"EPA-CCD-OPERA","MW":137.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-60-7"}
{"Compound":"Mecoprop","CAS":"93-65-2","CAS.Checksum":true,"DTXSID":"DTXSID9024194","Formula":"C10H11ClO3","All.Compound.Names":"Mecoprop|(+/-)-2-(4-chloro-2-methylphenoxy)propionic acid|Dtxsid9024194|93-65-2","logHenry":-8.781,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.129,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.537,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.13,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.6,"MP.Reference":"EPA-CCD-OPERA","MW":214.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-65-2"}
{"Compound":"N-(2-methylphenyl)-3-oxobutanamide","CAS":"93-68-5","CAS.Checksum":true,"DTXSID":"DTXSID3026562","Formula":"C11H13NO2","All.Compound.Names":"N-(2-methylphenyl)-3-oxobutanamide|Dtxsid3026562|93-68-5","logHenry":-9.257,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.209,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.998,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.124,"logWSol.Reference":"EPA-CCD-OPERA","MP":105,"MP.Reference":"EPA-CCD-OPERA","MW":191.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-68-5"}
{"Compound":"1-(o-tolyl)biguanide","CAS":"93-69-6","CAS.Checksum":true,"DTXSID":"DTXSID3042051","Formula":"C9H13N5","All.Compound.Names":"1-(o-tolyl)biguanide|Dtxsid3042051|93-69-6","logHenry":-8.651,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.038,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.167,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.79,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.1,"MP.Reference":"EPA-CCD-OPERA","MW":191.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-69-6"}
{"Compound":"2-(2,4,5-trichlorophenoxy)propionic acid","CAS":"93-72-1","CAS.Checksum":true,"DTXSID":"DTXSID0021387","Formula":"C9H7Cl3O3","All.Compound.Names":"2-(2,4,5-trichlorophenoxy)propionic acid|Dtxsid0021387|93-72-1","logHenry":-8.797,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.798,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.797,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.447,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.3,"MP.Reference":"EPA-CCD-OPERA","MW":269.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-72-1"}
{"Compound":"(9z)-n,n-bis(2-hydroxyethyl)octadec-9-enamide","CAS":"93-83-4","CAS.Checksum":true,"DTXSID":"DTXSID8026563","Formula":"C22H43NO3","All.Compound.Names":"(9z)-n,n-bis(2-hydroxyethyl)octadec-9-enamide|Oleic acid diethanolamide|Dtxsid8026563|93-83-4","logHenry":-9.983,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.338,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.162,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.956,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.22,"MP.Reference":"EPA-CCD-OPERA","MW":369.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-83-4"}
{"Compound":"Ethyl benzoate","CAS":"93-89-0","CAS.Checksum":true,"DTXSID":"DTXSID3038696","Formula":"C9H10O2","All.Compound.Names":"Ethyl benzoate|Dtxsid3038696","logHenry":-7.186,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.636,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.196,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.317,"logWSol.Reference":"EPA-CCD-OPERA","MP":-31.5,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-89-0"}
{"Compound":"1-benzoylacetone","CAS":"93-91-4","CAS.Checksum":true,"DTXSID":"DTXSID3021803","Formula":"C10H10O2","All.Compound.Names":"1-benzoylacetone|Dtxsid3021803","logHenry":-5.233,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.574,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.187,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.626,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.6,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-91-4"}
{"Compound":"Benzenemethanol, alpha-methyl-, acetate","CAS":"93-92-5","CAS.Checksum":true,"DTXSID":"DTXSID6041636","Formula":"C10H12O2","All.Compound.Names":"Benzenemethanol, alpha-methyl-, acetate|(+/-)-alpha-methylbenzyl acetate|Dtxsid6041636","logHenry":-3.903,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.643,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.36,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.49,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.765,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-92-5"}
{"Compound":"Benzoic anhydride","CAS":"93-97-0","CAS.Checksum":true,"DTXSID":"DTXSID1029122","Formula":"C14H10O3","All.Compound.Names":"Benzoic anhydride|Dtxsid1029122","logHenry":-7.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.263,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.105,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.351,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.74,"MP.Reference":"EPA-CCD-OPERA","MW":226.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-97-0"}
{"Compound":"Phenyl benzoate","CAS":"93-99-2","CAS.Checksum":true,"DTXSID":"DTXSID0048210","Formula":"C13H10O2","All.Compound.Names":"Phenyl benzoate|Dtxsid0048210","logHenry":-6.877,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.589,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.651,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.719,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.77,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-99-2"}
{"Compound":"1,2-epoxy-3-butene","CAS":"930-22-3","CAS.Checksum":true,"DTXSID":"DTXSID4025240","Formula":"C4H6O","All.Compound.Names":"1,2-epoxy-3-butene|Dtxsid4025240","logHenry":-3.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3665,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.888,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.126,"logWSol.Reference":"EPA-CCD-OPERA","MP":-134.8,"MP.Reference":"EPA-CCD-OPERA","MW":70.09,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"930-22-3"}
{"Compound":"N-nitrosopyrrolidine","CAS":"930-55-2","CAS.Checksum":true,"DTXSID":"DTXSID8021062","Formula":"C4H8N2O","All.Compound.Names":"N-nitrosopyrrolidine|Dtxsid8021062|930-55-2","logHenry":-4.936,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1874,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.984,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9919,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.45,"MP.Reference":"EPA-CCD-OPERA","MW":100.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"930-55-2"}
{"Compound":"2-cyclohexen-1-one","CAS":"930-68-7","CAS.Checksum":true,"DTXSID":"DTXSID1024881","Formula":"C6H8O","All.Compound.Names":"2-cyclohexen-1-one|Dtxsid1024881","logHenry":-4.975,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6092,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.86,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8547,"logWSol.Reference":"EPA-CCD-OPERA","MP":-52.57,"MP.Reference":"EPA-CCD-OPERA","MW":96.13,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"930-68-7"}
{"Compound":"Sodium benzenethiolate","CAS":"930-69-8","CAS.Checksum":true,"DTXSID":"DTXSID1027342","Formula":"C6H5NaS","All.Compound.Names":"Sodium benzenethiolate|Dtxsid1027342|930-69-8","logHenry":-3.56,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9503,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.437,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.124,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.187,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"930-69-8"}
{"Compound":"2-methylpyridine 1-oxide","CAS":"931-19-1","CAS.Checksum":true,"DTXSID":"DTXSID1029207","Formula":"C6H7NO","All.Compound.Names":"2-methylpyridine 1-oxide|Dtxsid1029207|931-19-1","logHenry":-6.704,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.109,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.388,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.98,"MP.Reference":"EPA-CCD-OPERA","MW":109.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"931-19-1"}
{"Compound":"2-ethyl-4-methyl-1h-imidazole","CAS":"931-36-2","CAS.Checksum":true,"DTXSID":"DTXSID9044744","Formula":"C6H10N2","All.Compound.Names":"2-ethyl-4-methyl-1h-imidazole|Dtxsid9044744|931-36-2","logHenry":-6.116,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6784,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.468,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.202,"logWSol.Reference":"EPA-CCD-OPERA","MP":50.68,"MP.Reference":"EPA-CCD-OPERA","MW":110.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"931-36-2"}
{"Compound":"Cyclohexanone cyanohydrin","CAS":"931-97-5","CAS.Checksum":true,"DTXSID":"DTXSID2024878","Formula":"C7H11NO","All.Compound.Names":"Cyclohexanone cyanohydrin|Dtxsid2024878|931-97-5","logHenry":-7.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.03628,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.152,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3523,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.27,"MP.Reference":"EPA-CCD-OPERA","MW":125.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"931-97-5"}
{"Compound":"Enrofloxacin","CAS":"93106-60-6","CAS.Checksum":true,"DTXSID":"DTXSID1045619","Formula":"C19H22FN3O3","All.Compound.Names":"Enrofloxacin|Dtxsid1045619|93106-60-6","logHenry":-8.144,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.129,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.25,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4455,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.9,"MP.Reference":"EPA-CCD-OPERA","MW":359.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93106-60-6"}
{"Compound":"Ciprofloxacin hydrochloride","CAS":"93107-08-5","CAS.Checksum":true,"DTXSID":"DTXSID1047788","Formula":"C17H19ClFN3O3","All.Compound.Names":"Ciprofloxacin hydrochloride|Dtxsid1047788|93107-08-5","logHenry":-11.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4117,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.022,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.182,"logWSol.Reference":"EPA-CCD-OPERA","MP":221.8,"MP.Reference":"EPA-CCD-OPERA","MW":367.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.91","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"-0.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93107-08-5"}
{"Compound":"N-nitrosohexamethyleneimine","CAS":"932-83-2","CAS.Checksum":true,"DTXSID":"DTXSID0021040","Formula":"C6H12N2O","All.Compound.Names":"N-nitrosohexamethyleneimine|Dtxsid0021040|932-83-2","logHenry":-5.169,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9205,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.735,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9972,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.95,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"932-83-2"}
{"Compound":"(1r,5r)-3,3,5-trimethylcyclohexanol","CAS":"933-48-2","CAS.Checksum":true,"DTXSID":"DTXSID1047570","Formula":"C9H18O","All.Compound.Names":"(1r,5r)-3,3,5-trimethylcyclohexanol|Dtxsid1047570|Rel-(1s,5s)-3,3,5-trimethylcyclohexanol|933-48-2","logHenry":-4.63,"logHenry.Reference":"OPERA29","logP":2.86,"logP.Reference":"OPERA29","logWSol":-1.97,"logWSol.Reference":"OPERA29","MP":46,"MP.Reference":"OPERA29","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"933-48-2"}
{"Compound":"2,2,4,4-tetramethylcyclobutane-1,3-dione","CAS":"933-52-8","CAS.Checksum":true,"DTXSID":"DTXSID4044745","Formula":"C8H12O2","All.Compound.Names":"2,2,4,4-tetramethylcyclobutane-1,3-dione|Dtxsid4044745","logHenry":-5.754,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.319,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.119,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9387,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.46,"MP.Reference":"EPA-CCD-OPERA","MW":140.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"933-52-8"}
{"Compound":"2,3,6-trichlorophenol","CAS":"933-75-5","CAS.Checksum":true,"DTXSID":"DTXSID5026209","Formula":"C6H3Cl3O","All.Compound.Names":"2,3,6-trichlorophenol|Dtxsid5026209|933-75-5","logHenry":-5.895,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.77,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.065,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.637,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.05,"MP.Reference":"EPA-CCD-OPERA","MW":197.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"933-75-5"}
{"Compound":"2,3,5-trichlorophenol","CAS":"933-78-8","CAS.Checksum":true,"DTXSID":"DTXSID0026208","Formula":"C6H3Cl3O","All.Compound.Names":"2,3,5-trichlorophenol|Dtxsid0026208|933-78-8","logHenry":-5.914,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.839,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.663,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.34,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.15,"MP.Reference":"EPA-CCD-OPERA","MW":197.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"933-78-8"}
{"Compound":"Naloxone methyliodide","CAS":"93302-47-7","CAS.Checksum":true,"DTXSID":"DTXSID8046325","Formula":"C20H24INO4","All.Compound.Names":"Naloxone methyliodide|Dtxsid8046325|93302-47-7","logHenry":-9.718,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.126,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.246,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.562,"logWSol.Reference":"EPA-CCD-OPERA","MP":143,"MP.Reference":"EPA-CCD-OPERA","MW":469.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93302-47-7"}
{"Compound":"3-methoxycatechol","CAS":"934-00-9","CAS.Checksum":true,"DTXSID":"DTXSID4020826","Formula":"C7H8O3","All.Compound.Names":"3-methoxycatechol|Dtxsid4020826|934-00-9","logHenry":-6.615,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9441,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.811,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.452,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.93,"MP.Reference":"EPA-CCD-OPERA","MW":140.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"934-00-9"}
{"Compound":"2-aminobenzimidazole","CAS":"934-32-7","CAS.Checksum":true,"DTXSID":"DTXSID1024465","Formula":"C7H7N3","All.Compound.Names":"2-aminobenzimidazole|Dtxsid1024465|934-32-7","logHenry":-7.027,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.911,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.169,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.821,"logWSol.Reference":"EPA-CCD-OPERA","MP":229.9,"MP.Reference":"EPA-CCD-OPERA","MW":133.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"934-32-7"}
{"Compound":"1-butyl-1-methylpyrrolidinium bromide","CAS":"93457-69-3","CAS.Checksum":true,"DTXSID":"DTXSID4049375","Formula":"C9H20BrN","All.Compound.Names":"1-butyl-1-methylpyrrolidinium bromide|Dtxsid4049375|93457-69-3","logHenry":-1.157,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.033,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.188,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.356,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.8,"MP.Reference":"EPA-CCD-OPERA","MW":222.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93457-69-3"}
{"Compound":"7-methyladenine","CAS":"935-69-3","CAS.Checksum":true,"DTXSID":"DTXSID9049376","Formula":"C6H7N5","All.Compound.Names":"7-methyladenine|Dtxsid9049376|935-69-3","logHenry":-6.821,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3424,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.435,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.495,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.5,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"935-69-3"}
{"Compound":"2,3,5,6-tetrachlorophenol","CAS":"935-95-5","CAS.Checksum":true,"DTXSID":"DTXSID2026101","Formula":"C6H2Cl4O","All.Compound.Names":"2,3,5,6-tetrachlorophenol|Dtxsid2026101|935-95-5","logHenry":-6.254,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.89,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.823,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.708,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.5,"MP.Reference":"EPA-CCD-OPERA","MW":231.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"935-95-5"}
{"Compound":"Roxatidine acetate hydrochloride","CAS":"93793-83-0","CAS.Checksum":true,"DTXSID":"DTXSID2046670","Formula":"C19H29ClN2O4","All.Compound.Names":"Roxatidine acetate hydrochloride|Dtxsid2046670|93793-83-0","logHenry":-8.239,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.299,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.147,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.563,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.4,"MP.Reference":"EPA-CCD-OPERA","MW":384.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93793-83-0"}
{"Compound":"Tert-butyl phenyl ketone","CAS":"938-16-9","CAS.Checksum":true,"DTXSID":"DTXSID1048209","Formula":"C11H14O","All.Compound.Names":"Tert-butyl phenyl ketone|Dtxsid1048209","logHenry":-4.049,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.001,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.557,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.283,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.046,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"938-16-9"}
{"Compound":"1-methylguanine","CAS":"938-85-2","CAS.Checksum":true,"DTXSID":"DTXSID4049377","Formula":"C6H7N5O","All.Compound.Names":"1-methylguanine|Dtxsid4049377|938-85-2","logHenry":-9.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9736,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.295,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.348,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.4,"MP.Reference":"EPA-CCD-OPERA","MW":165.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"938-85-2"}
{"Compound":"Propan-2-yl benzoate","CAS":"939-48-0","CAS.Checksum":true,"DTXSID":"DTXSID9044746","Formula":"C10H12O2","All.Compound.Names":"Propan-2-yl benzoate|Dtxsid9044746","logHenry":-3.908,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.175,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.829,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.657,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.17,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"939-48-0"}
{"Compound":"4-tert-butylbenzaldehyde","CAS":"939-97-9","CAS.Checksum":true,"DTXSID":"DTXSID6027343","Formula":"C11H14O","All.Compound.Names":"4-tert-butylbenzaldehyde|Dtxsid6027343","logHenry":-3.51,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.806,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.752,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.256,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.05,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"939-97-9"}
{"Compound":"Fluvastatin sodium","CAS":"93957-55-2","CAS.Checksum":true,"DTXSID":"DTXSID3044758","Formula":"C24H25FNNaO4","All.Compound.Names":"Fluvastatin sodium|Dtxsid3044758|93957-55-2","logHenry":-10.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.949,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.44,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.091,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.6,"MP.Reference":"EPA-CCD-OPERA","MW":433.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93957-55-2"}
{"Compound":"Ethyl benzoylacetate","CAS":"94-02-0","CAS.Checksum":true,"DTXSID":"DTXSID4047094","Formula":"C11H12O3","All.Compound.Names":"Ethyl benzoylacetate|Dtxsid4047094","logHenry":-6.232,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.867,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.694,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.831,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.33,"MP.Reference":"EPA-CCD-OPERA","MW":192.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-02-0"}
{"Compound":"P-synephrine","CAS":"94-07-5","CAS.Checksum":true,"DTXSID":"DTXSID0030588","Formula":"C9H13NO2","All.Compound.Names":"P-synephrine|Dtxsid0030588|94-07-5","logHenry":-9.176,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4423,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.565,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6398,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.4,"MP.Reference":"EPA-CCD-OPERA","MW":167.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.58","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-07-5"}
{"Compound":"Ethyl 4-methylbenzoate","CAS":"94-08-6","CAS.Checksum":true,"DTXSID":"DTXSID5048211","Formula":"C10H12O2","All.Compound.Names":"Ethyl 4-methylbenzoate|Dtxsid5048211","logHenry":-3.946,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.445,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.769,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.836,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.51,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-08-6"}
{"Compound":"Ethoxazene","CAS":"94-10-0","CAS.Checksum":true,"DTXSID":"DTXSID5046223","Formula":"C14H16N4O","All.Compound.Names":"Ethoxazene|Dtxsid5046223|94-10-0","logHenry":-8.566,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.773,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.21,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.204,"logWSol.Reference":"EPA-CCD-OPERA","MP":207,"MP.Reference":"EPA-CCD-OPERA","MW":256.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-10-0"}
{"Compound":"2,4-d isopropyl ester","CAS":"94-11-1","CAS.Checksum":true,"DTXSID":"DTXSID5020445","Formula":"C11H12Cl2O3","All.Compound.Names":"2,4-d isopropyl ester|Dtxsid5020445","logHenry":-7.54,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.959,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.499,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.85,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.294,"MP.Reference":"EPA-CCD-OPERA","MW":263.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-11-1"}
{"Compound":"Risocaine","CAS":"94-12-2","CAS.Checksum":true,"DTXSID":"DTXSID3046299","Formula":"C10H13NO2","All.Compound.Names":"Risocaine|Dtxsid3046299|94-12-2","logHenry":-8.527,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.429,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.104,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.335,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.85,"MP.Reference":"EPA-CCD-OPERA","MW":179.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-12-2"}
{"Compound":"Isocaine","CAS":"94-14-4","CAS.Checksum":true,"DTXSID":"DTXSID9023170","Formula":"C11H15NO2","All.Compound.Names":"Isocaine|Dtxsid9023170|94-14-4","logHenry":-9.471,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.765,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.902,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.942,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.45,"MP.Reference":"EPA-CCD-OPERA","MW":193.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-14-4"}
{"Compound":"Sulfaethidole","CAS":"94-19-9","CAS.Checksum":true,"DTXSID":"DTXSID4046286","Formula":"C10H12N4O2S2","All.Compound.Names":"Sulfaethidole|Dtxsid4046286|94-19-9","logHenry":-10.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.01,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.196,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.946,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.4,"MP.Reference":"EPA-CCD-OPERA","MW":284.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-19-9"}
{"Compound":"Parethoxycaine","CAS":"94-23-5","CAS.Checksum":true,"DTXSID":"DTXSID0046060","Formula":"C15H23NO3","All.Compound.Names":"Parethoxycaine|Dtxsid0046060|94-23-5","logHenry":-7.732,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.405,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.799,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.715,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.7,"MP.Reference":"EPA-CCD-OPERA","MW":265.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-23-5"}
{"Compound":"Butyl 4-aminobenzoate","CAS":"94-25-7","CAS.Checksum":true,"DTXSID":"DTXSID7022417","Formula":"C11H15NO2","All.Compound.Names":"Butyl 4-aminobenzoate|Dtxsid7022417|94-25-7","logHenry":-9.477,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.869,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.938,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.931,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.11,"MP.Reference":"EPA-CCD-OPERA","MW":193.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-25-7"}
{"Compound":"Benzoyl peroxide","CAS":"94-36-0","CAS.Checksum":true,"DTXSID":"DTXSID6024591","Formula":"C14H10O4","All.Compound.Names":"Benzoyl peroxide|Dtxsid6024591","logHenry":-7.529,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.458,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.957,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.422,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.9,"MP.Reference":"EPA-CCD-OPERA","MW":242.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-36-0"}
{"Compound":"Dicyclopentamethylenethiuram disulfide","CAS":"94-37-1","CAS.Checksum":true,"DTXSID":"DTXSID4048727","Formula":"C12H20N2S4","All.Compound.Names":"Dicyclopentamethylenethiuram disulfide|Dtxsid4048727|94-37-1","logHenry":-7.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.016,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.423,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.523,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.5,"MP.Reference":"EPA-CCD-OPERA","MW":320.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-37-1"}
{"Compound":"Benzyl nicotinate","CAS":"94-44-0","CAS.Checksum":true,"DTXSID":"DTXSID7046542","Formula":"C13H11NO2","All.Compound.Names":"Benzyl nicotinate|Dtxsid7046542|94-44-0","logHenry":-7.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.4,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.101,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.267,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.9,"MP.Reference":"EPA-CCD-OPERA","MW":213.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-44-0"}
{"Compound":"2-amino-6-ethoxybenzothiazole","CAS":"94-45-1","CAS.Checksum":true,"DTXSID":"DTXSID9024481","Formula":"C9H10N2OS","All.Compound.Names":"2-amino-6-ethoxybenzothiazole|Dtxsid9024481|94-45-1","logHenry":-9.158,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.517,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.308,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.372,"logWSol.Reference":"EPA-CCD-OPERA","MP":153,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"12.02","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"94-45-1"}
{"Compound":"Isopentyl benzoate","CAS":"94-46-2","CAS.Checksum":true,"DTXSID":"DTXSID8047185","Formula":"C12H16O2","All.Compound.Names":"Isopentyl benzoate|Dtxsid8047185","logHenry":-4.043,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.144,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.685,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.738,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.57,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-46-2"}
{"Compound":"2-phenylethyl benzoate","CAS":"94-47-3","CAS.Checksum":true,"DTXSID":"DTXSID9047590","Formula":"C15H14O2","All.Compound.Names":"2-phenylethyl benzoate|Dtxsid9047590","logHenry":-7.725,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.008,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.77,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.072,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.4,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-47-3"}
{"Compound":"6-nitrobenzimidazole","CAS":"94-52-0","CAS.Checksum":true,"DTXSID":"DTXSID8020965","Formula":"C7H5N3O2","All.Compound.Names":"6-nitrobenzimidazole|Dtxsid8020965|94-52-0","logHenry":-8.551,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.5,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.108,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.708,"logWSol.Reference":"EPA-CCD-OPERA","MP":208,"MP.Reference":"EPA-CCD-OPERA","MW":163.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-52-0"}
{"Compound":"Dimethyl hexahydroterephthalate","CAS":"94-60-0","CAS.Checksum":true,"DTXSID":"DTXSID3026566","Formula":"C10H16O4","All.Compound.Names":"Dimethyl hexahydroterephthalate|Dimethyl cyclohexane-1,4-dicarboxylate|Dtxsid3026566","logHenry":-5.7,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.551,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.281,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.006,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.92,"MP.Reference":"EPA-CCD-OPERA","MW":200.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-60-0"}
{"Compound":"Piperine","CAS":"94-62-2","CAS.Checksum":true,"DTXSID":"DTXSID3021805","Formula":"C17H19NO3","All.Compound.Names":"Piperine|Dtxsid3021805|94-62-2","logHenry":-6.733,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.722,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.531,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.46,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.4,"MP.Reference":"EPA-CCD-OPERA","MW":285.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-62-2"}
{"Compound":"2-ethoxyaniline","CAS":"94-70-2","CAS.Checksum":true,"DTXSID":"DTXSID5025863","Formula":"C8H11NO","All.Compound.Names":"2-ethoxyaniline|Dtxsid5025863|94-70-2","logHenry":-6.641,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.212,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.159,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9634,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.4,"MP.Reference":"EPA-CCD-OPERA","MW":137.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-70-2"}
{"Compound":"2-ethoxyphenol","CAS":"94-71-3","CAS.Checksum":true,"DTXSID":"DTXSID2042276","Formula":"C8H10O2","All.Compound.Names":"2-ethoxyphenol|O-ethoxyphenol|Dtxsid2042276|94-71-3","logHenry":-6.392,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.68,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.848,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.567,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.54,"MP.Reference":"EPA-CCD-OPERA","MW":138.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-71-3"}
{"Compound":"2,4-d 1-butyl ester","CAS":"94-80-4","CAS.Checksum":true,"DTXSID":"DTXSID5020443","Formula":"C12H14Cl2O3","All.Compound.Names":"2,4-d 1-butyl ester|2,4-d butyl ester|Dtxsid5020443","logHenry":-7.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.008,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.413,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.783,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.57,"MP.Reference":"EPA-CCD-OPERA","MW":277.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-80-4"}
{"Compound":"Mcpb","CAS":"94-81-5","CAS.Checksum":true,"DTXSID":"DTXSID4024193","Formula":"C11H13ClO3","All.Compound.Names":"Mcpb|Thitrol|Dtxsid4024193|94-81-5","logHenry":-8.808,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.311,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.586,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.025,"logWSol.Reference":"EPA-CCD-OPERA","MP":100,"MP.Reference":"EPA-CCD-OPERA","MW":228.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-81-5"}
{"Compound":"2-ethoxy-5-(1-propenyl)phenol","CAS":"94-86-0","CAS.Checksum":true,"DTXSID":"DTXSID2047727","Formula":"C11H14O2","All.Compound.Names":"2-ethoxy-5-(1-propenyl)phenol|Dtxsid2047727|94-86-0","logHenry":-6.594,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.895,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.56,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.309,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.5,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-86-0"}
{"Compound":"N,n'-disalicylidene-1,2-diaminopropane","CAS":"94-91-7","CAS.Checksum":true,"DTXSID":"DTXSID2041200","Formula":"C17H18N2O2","All.Compound.Names":"N,n'-disalicylidene-1,2-diaminopropane|N,n'-bis (salicylidene)-1,2-propane diamine|Dtxsid2041200|94-91-7","logHenry":-9.249,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.066,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.952,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.192,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.4,"MP.Reference":"EPA-CCD-OPERA","MW":282.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"59.17","Human.Clint.Reference":"Paini 2020","Chemical.Class":"","_row":"94-91-7"}
{"Compound":"2-ethyl-1,3-hexanediol","CAS":"94-96-2","CAS.Checksum":true,"DTXSID":"DTXSID4025292","Formula":"C8H18O2","All.Compound.Names":"2-ethyl-1,3-hexanediol|Dtxsid4025292|94-96-2","logHenry":-6.841,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.485,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.098,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5412,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.58,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-96-2"}
{"Compound":"1h-benzotriazole, 5-chloro-","CAS":"94-97-3","CAS.Checksum":true,"DTXSID":"DTXSID0047450","Formula":"C6H4ClN3","All.Compound.Names":"1h-benzotriazole, 5-chloro-|5-chlorobenzotriazole|Dtxsid0047450|94-97-3","logHenry":-7.832,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.527,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.056,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.225,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.6,"MP.Reference":"EPA-CCD-OPERA","MW":153.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-97-3"}
{"Compound":"2,4-dichloro-1-(chloromethyl)benzene","CAS":"94-99-5","CAS.Checksum":true,"DTXSID":"DTXSID9045005","Formula":"C7H5Cl3","All.Compound.Names":"2,4-dichloro-1-(chloromethyl)benzene|Dtxsid9045005","logHenry":-2.925,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.821,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.968,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.835,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.14,"MP.Reference":"EPA-CCD-OPERA","MW":195.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-99-5"}
{"Compound":"Alpha-lipoic acid amide","CAS":"940-69-2","CAS.Checksum":true,"DTXSID":"DTXSID2046541","Formula":"C8H15NOS2","All.Compound.Names":"Alpha-lipoic acid amide|Dl-lipoamide|Dtxsid2046541|940-69-2","logHenry":-8.796,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.572,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.701,"logWSol.Reference":"EPA-CCD-OPERA","MP":128,"MP.Reference":"EPA-CCD-OPERA","MW":205.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"940-69-2"}
{"Compound":"Suplatast tosylate","CAS":"94055-76-2","CAS.Checksum":true,"DTXSID":"DTXSID9045003","Formula":"C23H33NO7S2","All.Compound.Names":"Suplatast tosylate|Dtxsid9045003|94055-76-2","logHenry":-7.751,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.815,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.502,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.54,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.5,"MP.Reference":"EPA-CCD-OPERA","MW":499.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.8","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94055-76-2"}
{"Compound":"1-phenyl-1h-pyrrole-2,5-dione","CAS":"941-69-5","CAS.Checksum":true,"DTXSID":"DTXSID0041274","Formula":"C10H7NO2","All.Compound.Names":"1-phenyl-1h-pyrrole-2,5-dione|Dtxsid0041274|941-69-5","logHenry":-5.969,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.087,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.326,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.007,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.58,"MP.Reference":"EPA-CCD-OPERA","MW":173.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"941-69-5"}
{"Compound":"1,1-dimethoxy-2-(2-methoxyethoxy)ethane","CAS":"94158-44-8","CAS.Checksum":true,"DTXSID":"DTXSID3057856","Formula":"C7H16O4","All.Compound.Names":"1,1-dimethoxy-2-(2-methoxyethoxy)ethane|Dtxsid3057856","logHenry":-5.867,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1336,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.609,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3933,"logWSol.Reference":"EPA-CCD-OPERA","MP":-35.18,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94158-44-8"}
{"Compound":"1-butyl-1-methylpiperidinium bromide","CAS":"94280-72-5","CAS.Checksum":true,"DTXSID":"DTXSID9049378","Formula":"C10H22BrN","All.Compound.Names":"1-butyl-1-methylpiperidinium bromide|Dtxsid9049378|94280-72-5","logHenry":-1.182,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.016,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.343,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.267,"logWSol.Reference":"EPA-CCD-OPERA","MP":163.3,"MP.Reference":"EPA-CCD-OPERA","MW":236.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94280-72-5"}
{"Compound":"N-nitroso-n-methyl-4-nitroaniline","CAS":"943-41-9","CAS.Checksum":true,"DTXSID":"DTXSID4021002","Formula":"C7H7N3O3","All.Compound.Names":"N-nitroso-n-methyl-4-nitroaniline|Dtxsid4021002|N-methyl-4-nitro-n-nitrosobenzenamine|943-41-9","logHenry":-6.458,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.272,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.039,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.55,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.93,"MP.Reference":"EPA-CCD-OPERA","MW":181.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"943-41-9"}
{"Compound":"4-methoxy-(2e)-cinnamic acid","CAS":"943-89-5","CAS.Checksum":true,"DTXSID":"DTXSID1046059","Formula":"C10H10O3","All.Compound.Names":"4-methoxy-(2e)-cinnamic acid|Dtxsid1046059|943-89-5","logHenry":-8.143,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.672,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.723,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.287,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.8,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"943-89-5"}
{"Compound":"N-butylphosphorothioic triamide","CAS":"94317-64-3","CAS.Checksum":true,"DTXSID":"DTXSID4044747","Formula":"C4H14N3PS","All.Compound.Names":"N-butylphosphorothioic triamide|Dtxsid4044747|94317-64-3","logHenry":-8.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.898,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.36,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6515,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.7,"MP.Reference":"EPA-CCD-OPERA","MW":167.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94317-64-3"}
{"Compound":"Fonofos","CAS":"944-22-9","CAS.Checksum":true,"DTXSID":"DTXSID2024113","Formula":"C10H15OPS2","All.Compound.Names":"Fonofos|Dtxsid2024113","logHenry":-5.442,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.941,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.042,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.21,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.36,"MP.Reference":"EPA-CCD-OPERA","MW":246.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"944-22-9"}
{"Compound":"Tamibarotene","CAS":"94497-51-5","CAS.Checksum":true,"DTXSID":"DTXSID5046853","Formula":"C22H25NO3","All.Compound.Names":"Tamibarotene|Dtxsid5046853|94497-51-5","logHenry":-9.247,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.81,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.644,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.942,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.6,"MP.Reference":"EPA-CCD-OPERA","MW":351.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94497-51-5"}
{"Compound":"Levcromakalim","CAS":"94535-50-9","CAS.Checksum":true,"DTXSID":"DTXSID5045677","Formula":"C16H18N2O3","All.Compound.Names":"Levcromakalim|Dtxsid5045677|94535-50-9","logHenry":-9.417,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.314,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.733,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.886,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.8,"MP.Reference":"EPA-CCD-OPERA","MW":286.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94535-50-9"}
{"Compound":"Phosfolan","CAS":"947-02-4","CAS.Checksum":true,"DTXSID":"DTXSID1042285","Formula":"C7H14NO3PS2","All.Compound.Names":"Phosfolan|Dtxsid1042285|947-02-4","logHenry":-8.692,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.762,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.772,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.589,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.97,"MP.Reference":"EPA-CCD-OPERA","MW":255.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.78","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"947-02-4"}
{"Compound":"Azacyclotridecan-2-one","CAS":"947-04-6","CAS.Checksum":true,"DTXSID":"DTXSID1027344","Formula":"C12H23NO","All.Compound.Names":"Azacyclotridecan-2-one|Dtxsid1027344|947-04-6","logHenry":-7.101,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.922,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.537,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.831,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.2,"MP.Reference":"EPA-CCD-OPERA","MW":197.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"947-04-6"}
{"Compound":"(1-hydroxycyclohexyl)(phenyl)methanone","CAS":"947-19-3","CAS.Checksum":true,"DTXSID":"DTXSID9044748","Formula":"C13H16O2","All.Compound.Names":"(1-hydroxycyclohexyl)(phenyl)methanone|Dtxsid9044748|947-19-3","logHenry":-8.085,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.812,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.349,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.642,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.04,"MP.Reference":"EPA-CCD-OPERA","MW":204.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"947-19-3"}
{"Compound":"Lemildipine","CAS":"94739-29-4","CAS.Checksum":true,"DTXSID":"DTXSID8048812","Formula":"C20H22Cl2N2O6","All.Compound.Names":"Lemildipine|Dtxsid8048812|94739-29-4","logHenry":-7.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.659,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.668,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.735,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.6,"MP.Reference":"EPA-CCD-OPERA","MW":457.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94739-29-4"}
{"Compound":"Molracetam","CAS":"94746-78-8","CAS.Checksum":true,"DTXSID":"DTXSID7046384","Formula":"C18H25N3O4","All.Compound.Names":"Molracetam|Dtxsid7046384|94746-78-8","logHenry":-8.516,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7313,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.17,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.265,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.7,"MP.Reference":"EPA-CCD-OPERA","MW":347.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94746-78-8"}
{"Compound":"Salmeterol xinafoate","CAS":"94749-08-3","CAS.Checksum":true,"DTXSID":"DTXSID1045798","Formula":"C36H45NO7","All.Compound.Names":"Salmeterol xinafoate|Dtxsid1045798|94749-08-3","logHenry":-11.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.841,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.601,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.159,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.7,"MP.Reference":"EPA-CCD-OPERA","MW":603.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.02","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94749-08-3"}
{"Compound":"Spirapril hydrochloride","CAS":"94841-17-5","CAS.Checksum":true,"DTXSID":"DTXSID6044272","Formula":"C22H31ClN2O5S2","All.Compound.Names":"Spirapril hydrochloride|Dtxsid6044272|94841-17-5","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7818,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.846,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.33,"logWSol.Reference":"EPA-CCD-OPERA","MP":151,"MP.Reference":"EPA-CCD-OPERA","MW":503.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94841-17-5"}
{"Compound":"Sulfallate","CAS":"95-06-7","CAS.Checksum":true,"DTXSID":"DTXSID7021289","Formula":"C8H14ClNS2","All.Compound.Names":"Sulfallate|Dtxsid7021289|95-06-7","logHenry":-5.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.245,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.632,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.364,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.373,"MP.Reference":"EPA-CCD-OPERA","MW":223.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-06-7"}
{"Compound":"Indene","CAS":"95-13-6","CAS.Checksum":true,"DTXSID":"DTXSID8042052","Formula":"C9H8","All.Compound.Names":"Indene|1h-indene|Dtxsid8042052","logHenry":-3.288,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.92,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.393,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.394,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.675,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-13-6"}
{"Compound":"Chlorzoxazone","CAS":"95-25-0","CAS.Checksum":true,"DTXSID":"DTXSID9022813","Formula":"C7H4ClNO2","All.Compound.Names":"Chlorzoxazone|Dtxsid9022813|95-25-0","logHenry":-8.564,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.413,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.861,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.345,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.3,"MP.Reference":"EPA-CCD-OPERA","MW":169.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10.96","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"95-25-0"}
{"Compound":"Diamthazole","CAS":"95-27-2","CAS.Checksum":true,"DTXSID":"DTXSID1046182","Formula":"C15H23N3OS","All.Compound.Names":"Diamthazole|Dtxsid1046182|95-27-2","logHenry":-5.205,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.535,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.408,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.5,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.19,"MP.Reference":"EPA-CCD-OPERA","MW":293.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-27-2"}
{"Compound":"N-tert-butyl-2-benzothiazolesulfenamide","CAS":"95-31-8","CAS.Checksum":true,"DTXSID":"DTXSID7026572","Formula":"C11H14N2S2","All.Compound.Names":"N-tert-butyl-2-benzothiazolesulfenamide|Dtxsid7026572|95-31-8","logHenry":-6.736,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.667,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.637,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.358,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.2,"MP.Reference":"EPA-CCD-OPERA","MW":238.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.65","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-31-8"}
{"Compound":"2-(morpholin-4-yldithio)-1,3-benzothiazole","CAS":"95-32-9","CAS.Checksum":true,"DTXSID":"DTXSID2026573","Formula":"C11H12N2OS3","All.Compound.Names":"2-(morpholin-4-yldithio)-1,3-benzothiazole|Dtxsid2026573|95-32-9","logHenry":-5.456,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.528,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.667,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.35,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.9,"MP.Reference":"EPA-CCD-OPERA","MW":284.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-32-9"}
{"Compound":"N-cyclohexyl-2-benzothiazolesulfenamide","CAS":"95-33-0","CAS.Checksum":true,"DTXSID":"DTXSID5020360","Formula":"C13H16N2S2","All.Compound.Names":"N-cyclohexyl-2-benzothiazolesulfenamide|Dtxsid5020360|95-33-0","logHenry":-7.159,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.012,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.602,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.234,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.99,"MP.Reference":"EPA-CCD-OPERA","MW":264.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.09","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-33-0"}
{"Compound":"1h-imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-","CAS":"95-38-5","CAS.Checksum":true,"DTXSID":"DTXSID2036112","Formula":"C22H42N2O","All.Compound.Names":"1h-imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-|2-(8-heptadecenyl)-2-imidazoline-1-ethanol|Dtxsid2036112|95-38-5","logHenry":-7.252,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.326,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.314,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.946,"logWSol.Reference":"EPA-CCD-OPERA","MP":36.4,"MP.Reference":"EPA-CCD-OPERA","MW":350.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-38-5"}
{"Compound":"Dimethylglyoxime","CAS":"95-45-4","CAS.Checksum":true,"DTXSID":"DTXSID2044393","Formula":"C4H8N2O2","All.Compound.Names":"Dimethylglyoxime|Dtxsid2044393|95-45-4","logHenry":-10.59,"logHenry.Reference":"OPERA29","logP":-0.72,"logP.Reference":"OPERA29","logWSol":-2.28,"logWSol.Reference":"OPERA29","MP":245,"MP.Reference":"OPERA29","MW":116.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-45-4"}
{"Compound":"2-bromotoluene","CAS":"95-46-5","CAS.Checksum":true,"DTXSID":"DTXSID2024660","Formula":"C7H7Br","All.Compound.Names":"2-bromotoluene|Dtxsid2024660","logHenry":-2.969,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.52,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7896,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.247,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.51,"MP.Reference":"EPA-CCD-OPERA","MW":171,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-46-5"}
{"Compound":"1,2-dimethylbenzene","CAS":"95-47-6","CAS.Checksum":true,"DTXSID":"DTXSID3021807","Formula":"C8H10","All.Compound.Names":"1,2-dimethylbenzene|O-xylene|Dtxsid3021807","logHenry":-2.28,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.12,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7211,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.784,"logWSol.Reference":"EPA-CCD-OPERA","MP":-20.39,"MP.Reference":"EPA-CCD-OPERA","MW":106.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-47-6"}
{"Compound":"2-chlorotoluene","CAS":"95-49-8","CAS.Checksum":true,"DTXSID":"DTXSID8023977","Formula":"C7H7Cl","All.Compound.Names":"2-chlorotoluene|Dtxsid8023977","logHenry":-2.453,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.417,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7253,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.029,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.45,"MP.Reference":"EPA-CCD-OPERA","MW":126.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-49-8"}
{"Compound":"1,2-dichlorobenzene","CAS":"95-50-1","CAS.Checksum":true,"DTXSID":"DTXSID6020430","Formula":"C6H4Cl2","All.Compound.Names":"1,2-dichlorobenzene|Dtxsid6020430","logHenry":-2.716,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.431,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.935,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.02,"logWSol.Reference":"EPA-CCD-OPERA","MP":-16.41,"MP.Reference":"EPA-CCD-OPERA","MW":147,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-50-1"}
{"Compound":"2-chloroaniline","CAS":"95-51-2","CAS.Checksum":true,"DTXSID":"DTXSID2021810","Formula":"C6H6ClN","All.Compound.Names":"2-chloroaniline|Dtxsid2021810|95-51-2","logHenry":-6.218,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.9,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.239,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.305,"logWSol.Reference":"EPA-CCD-OPERA","MP":-13.49,"MP.Reference":"EPA-CCD-OPERA","MW":127.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.74","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-51-2"}
{"Compound":"1,2-phenylenediamine","CAS":"95-54-5","CAS.Checksum":true,"DTXSID":"DTXSID3025881","Formula":"C6H8N2","All.Compound.Names":"1,2-phenylenediamine|Dtxsid3025881|95-54-5","logHenry":-7.257,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1491,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.447,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4113,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.3,"MP.Reference":"EPA-CCD-OPERA","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-54-5"}
{"Compound":"2-aminophenol","CAS":"95-55-6","CAS.Checksum":true,"DTXSID":"DTXSID8024498","Formula":"C6H7NO","All.Compound.Names":"2-aminophenol|Dtxsid8024498|95-55-6","logHenry":-7.306,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6207,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.977,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7304,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.9,"MP.Reference":"EPA-CCD-OPERA","MW":109.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-55-6"}
{"Compound":"2-bromophenol","CAS":"95-56-7","CAS.Checksum":true,"DTXSID":"DTXSID8052641","Formula":"C6H5BrO","All.Compound.Names":"2-bromophenol|Dtxsid8052641|95-56-7","logHenry":-5.947,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.351,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.577,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.064,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.833,"MP.Reference":"EPA-CCD-OPERA","MW":173,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-56-7"}
{"Compound":"2-chlorophenol","CAS":"95-57-8","CAS.Checksum":true,"DTXSID":"DTXSID5021544","Formula":"C6H5ClO","All.Compound.Names":"2-chlorophenol|Dtxsid5021544|95-57-8","logHenry":-4.956,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.152,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.814,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.059,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.975,"MP.Reference":"EPA-CCD-OPERA","MW":128.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-57-8"}
{"Compound":"1,2,4-trimethylbenzene","CAS":"95-63-6","CAS.Checksum":true,"DTXSID":"DTXSID6021402","Formula":"C9H12","All.Compound.Names":"1,2,4-trimethylbenzene|Dtxsid6021402","logHenry":-2.207,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.63,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9057,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.324,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.35,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9.32","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.1556","Human.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"95-63-6"}
{"Compound":"3,4-dimethylaniline","CAS":"95-64-7","CAS.Checksum":true,"DTXSID":"DTXSID3026308","Formula":"C8H11N","All.Compound.Names":"3,4-dimethylaniline|Dtxsid3026308|95-64-7","logHenry":-5.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.839,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.636,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.505,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.83,"MP.Reference":"EPA-CCD-OPERA","MW":121.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-64-7"}
{"Compound":"3,4-dimethylphenol","CAS":"95-65-8","CAS.Checksum":true,"DTXSID":"DTXSID4024062","Formula":"C8H10O","All.Compound.Names":"3,4-dimethylphenol|Dtxsid4024062|95-65-8","logHenry":-6.34,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.234,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.833,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.41,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.69,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-65-8"}
{"Compound":"2,4-dimethylaniline","CAS":"95-68-1","CAS.Checksum":true,"DTXSID":"DTXSID8026305","Formula":"C8H11N","All.Compound.Names":"2,4-dimethylaniline|Dtxsid8026305|95-68-1","logHenry":-5.714,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.685,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.79,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.536,"logWSol.Reference":"EPA-CCD-OPERA","MP":-13.18,"MP.Reference":"EPA-CCD-OPERA","MW":121.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-68-1"}
{"Compound":"Methylhydroquinone","CAS":"95-71-6","CAS.Checksum":true,"DTXSID":"DTXSID4020876","Formula":"C7H8O2","All.Compound.Names":"Methylhydroquinone|Dtxsid4020876|95-71-6","logHenry":-6.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9107,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.688,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2153,"logWSol.Reference":"EPA-CCD-OPERA","MP":127.6,"MP.Reference":"EPA-CCD-OPERA","MW":124.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-71-6"}
{"Compound":"2,4-dichlorotoluene","CAS":"95-73-8","CAS.Checksum":true,"DTXSID":"DTXSID5040702","Formula":"C7H6Cl2","All.Compound.Names":"2,4-dichlorotoluene|Dtxsid5040702","logHenry":-2.634,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.236,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6099,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.812,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.65,"MP.Reference":"EPA-CCD-OPERA","MW":161,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-73-8"}
{"Compound":"3,4-dichlorophenol","CAS":"95-77-2","CAS.Checksum":true,"DTXSID":"DTXSID7025005","Formula":"C6H4Cl2O","All.Compound.Names":"3,4-dichlorophenol|Dtxsid7025005|95-77-2","logHenry":-6.295,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.329,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.084,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.25,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.93,"MP.Reference":"EPA-CCD-OPERA","MW":163,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-77-2"}
{"Compound":"2,5-dimethylaniline","CAS":"95-78-3","CAS.Checksum":true,"DTXSID":"DTXSID3026306","Formula":"C8H11N","All.Compound.Names":"2,5-dimethylaniline|Dtxsid3026306|95-78-3","logHenry":-5.714,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.827,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.649,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.536,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.14,"MP.Reference":"EPA-CCD-OPERA","MW":121.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-78-3"}
{"Compound":"5-chloro-2-methylaniline","CAS":"95-79-4","CAS.Checksum":true,"DTXSID":"DTXSID5020287","Formula":"C7H8ClN","All.Compound.Names":"5-chloro-2-methylaniline|Dtxsid5020287|95-79-4","logHenry":-6.262,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.04,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.418,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.472,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.46,"MP.Reference":"EPA-CCD-OPERA","MW":141.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-79-4"}
{"Compound":"2,5-dichloroaniline","CAS":"95-82-9","CAS.Checksum":true,"DTXSID":"DTXSID6024967","Formula":"C6H5Cl2N","All.Compound.Names":"2,5-dichloroaniline|Dtxsid6024967|95-82-9","logHenry":-6.728,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.747,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.764,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.487,"logWSol.Reference":"EPA-CCD-OPERA","MP":50.23,"MP.Reference":"EPA-CCD-OPERA","MW":162,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-82-9"}
{"Compound":"2-amino-4-methylphenol","CAS":"95-84-1","CAS.Checksum":true,"DTXSID":"DTXSID4024488","Formula":"C7H9NO","All.Compound.Names":"2-amino-4-methylphenol|Dtxsid4024488|95-84-1","logHenry":-7.298,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.157,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.623,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.526,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.1,"MP.Reference":"EPA-CCD-OPERA","MW":123.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-84-1"}
{"Compound":"2-amino-4-chlorophenol","CAS":"95-85-2","CAS.Checksum":true,"DTXSID":"DTXSID5024473","Formula":"C6H6ClNO","All.Compound.Names":"2-amino-4-chlorophenol|Dtxsid5024473|95-85-2","logHenry":-6.769,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.81,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.051,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.482,"logWSol.Reference":"EPA-CCD-OPERA","MP":140,"MP.Reference":"EPA-CCD-OPERA","MW":143.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-85-2"}
{"Compound":"Diethyl oxalate","CAS":"95-92-1","CAS.Checksum":true,"DTXSID":"DTXSID2044472","Formula":"C6H10O4","All.Compound.Names":"Diethyl oxalate|Dtxsid2044472","logHenry":-4.932,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5585,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.31,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6091,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.01,"MP.Reference":"EPA-CCD-OPERA","MW":146.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-92-1"}
{"Compound":"1,2,4,5-tetramethylbenzene","CAS":"95-93-2","CAS.Checksum":true,"DTXSID":"DTXSID1029124","Formula":"C10H14","All.Compound.Names":"1,2,4,5-tetramethylbenzene|Dtxsid1029124","logHenry":-2.11,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.001,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.4496,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.584,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.79,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-93-2"}
{"Compound":"1,4-dioxane-2,5-dione, 3,6-dimethyl-","CAS":"95-96-5","CAS.Checksum":true,"DTXSID":"DTXSID7041253","Formula":"C6H8O4","All.Compound.Names":"1,4-dioxane-2,5-dione, 3,6-dimethyl-|3,6-dimethyl-2,5-dioxo-1,4-dioxane|Dtxsid7041253","logHenry":-8.734,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.743,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.926,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2813,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.4,"MP.Reference":"EPA-CCD-OPERA","MW":144.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-96-5"}
{"Compound":"Proflavin hydrochloride","CAS":"952-23-8","CAS.Checksum":true,"DTXSID":"DTXSID8021191","Formula":"C13H12ClN3","All.Compound.Names":"Proflavin hydrochloride|Dtxsid8021191|952-23-8","logHenry":-7.009,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.258,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.38,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3729,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.7,"MP.Reference":"EPA-CCD-OPERA","MW":245.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"952-23-8"}
{"Compound":"Morphazinamide","CAS":"952-54-5","CAS.Checksum":true,"DTXSID":"DTXSID4046159","Formula":"C10H14N4O2","All.Compound.Names":"Morphazinamide|Dtxsid4046159|952-54-5","logHenry":-8.993,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1182,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.723,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1722,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.6,"MP.Reference":"EPA-CCD-OPERA","MW":222.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"952-54-5"}
{"Compound":"N-methyl-alpha-phenylbenzeneacetamide","CAS":"954-21-2","CAS.Checksum":true,"DTXSID":"DTXSID4042208","Formula":"C15H15NO","All.Compound.Names":"N-methyl-alpha-phenylbenzeneacetamide|Dtxsid4042208|954-21-2","logHenry":-9.585,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.054,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.08,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.688,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.1,"MP.Reference":"EPA-CCD-OPERA","MW":225.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"954-21-2"}
{"Compound":"Meprylcaine hydrochloride","CAS":"956-03-6","CAS.Checksum":true,"DTXSID":"DTXSID4045341","Formula":"C14H22ClNO2","All.Compound.Names":"Meprylcaine hydrochloride|Dtxsid4045341|956-03-6","logHenry":-9.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1178,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.709,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.745,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.6,"MP.Reference":"EPA-CCD-OPERA","MW":271.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.84","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"956-03-6"}
{"Compound":"Fluindione","CAS":"957-56-2","CAS.Checksum":true,"DTXSID":"DTXSID1046211","Formula":"C15H9FO2","All.Compound.Names":"Fluindione|Dtxsid1046211","logHenry":-7.691,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.492,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.039,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.393,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.1,"MP.Reference":"EPA-CCD-OPERA","MW":240.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"957-56-2"}
{"Compound":"7-aminocephalosporanic acid","CAS":"957-68-6","CAS.Checksum":true,"DTXSID":"DTXSID9045342","Formula":"C10H12N2O5S","All.Compound.Names":"7-aminocephalosporanic acid|Dtxsid9045342|957-68-6","logHenry":-10.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5319,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.686,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6861,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.4,"MP.Reference":"EPA-CCD-OPERA","MW":272.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"957-68-6"}
{"Compound":"Ipsapirone","CAS":"95847-70-4","CAS.Checksum":true,"DTXSID":"DTXSID4045688","Formula":"C19H23N5O3S","All.Compound.Names":"Ipsapirone|Dtxsid4045688|95847-70-4","logHenry":-7.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.026,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.657,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.762,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.6,"MP.Reference":"EPA-CCD-OPERA","MW":401.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95847-70-4"}
{"Compound":"Sotalol hydrochloride","CAS":"959-24-0","CAS.Checksum":true,"DTXSID":"DTXSID8021278","Formula":"C12H21ClN2O3S","All.Compound.Names":"Sotalol hydrochloride|Dtxsid8021278|959-24-0","logHenry":-8.733,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.628,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.164,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.247,"logWSol.Reference":"EPA-CCD-OPERA","MP":165,"MP.Reference":"EPA-CCD-OPERA","MW":308.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"959-24-0"}
{"Compound":"Endosulfan i","CAS":"959-98-8","CAS.Checksum":true,"DTXSID":"DTXSID9037539","Formula":"C9H6Cl6O3S","All.Compound.Names":"Endosulfan i|Dtxsid9037539","logHenry":-4.89,"logHenry.Reference":"OPERA29","logP":3.83,"logP.Reference":"OPERA29","logWSol":-5.99,"logWSol.Reference":"OPERA29","MP":108,"MP.Reference":"OPERA29","MW":406.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"959-98-8"}
{"Compound":"Allyl methacrylate","CAS":"96-05-9","CAS.Checksum":true,"DTXSID":"DTXSID2021816","Formula":"C7H10O2","All.Compound.Names":"Allyl methacrylate|Dtxsid2021816","logHenry":-3.814,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.049,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.591,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.208,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.604,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-05-9"}
{"Compound":"Limonene dioxide","CAS":"96-08-2","CAS.Checksum":true,"DTXSID":"DTXSID9042097","Formula":"C10H16O2","All.Compound.Names":"Limonene dioxide|Limonene diepoxide|Dtxsid9042097","logHenry":-4.356,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.045,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.966,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.504,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.2,"MP.Reference":"EPA-CCD-OPERA","MW":168.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-08-2"}
{"Compound":"Styrene oxide","CAS":"96-09-3","CAS.Checksum":true,"DTXSID":"DTXSID2021286","Formula":"C8H8O","All.Compound.Names":"Styrene oxide|Dtxsid2021286","logHenry":-5.007,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.613,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.949,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.599,"logWSol.Reference":"EPA-CCD-OPERA","MP":-35.02,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-09-3"}
{"Compound":"2,3-dibromopropanol","CAS":"96-13-9","CAS.Checksum":true,"DTXSID":"DTXSID7021817","Formula":"C3H6Br2O","All.Compound.Names":"2,3-dibromopropanol|Dtxsid7021817|96-13-9","logHenry":-6.392,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.012,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.872,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6216,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.77,"MP.Reference":"EPA-CCD-OPERA","MW":217.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-13-9"}
{"Compound":"2-methylbutanal","CAS":"96-17-3","CAS.Checksum":true,"DTXSID":"DTXSID2021818","Formula":"C5H10O","All.Compound.Names":"2-methylbutanal|Dtxsid2021818","logHenry":-3.942,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.03,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.786,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5787,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.68,"MP.Reference":"EPA-CCD-OPERA","MW":86.13,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-17-3"}
{"Compound":"1,2,3-trichloropropane","CAS":"96-18-4","CAS.Checksum":true,"DTXSID":"DTXSID9021390","Formula":"C3H5Cl3","All.Compound.Names":"1,2,3-trichloropropane|Dtxsid9021390","logHenry":-3.464,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.27,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.196,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.924,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.1,"MP.Reference":"EPA-CCD-OPERA","MW":147.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-18-4"}
{"Compound":"3-pentanone","CAS":"96-22-0","CAS.Checksum":true,"DTXSID":"DTXSID6021820","Formula":"C5H10O","All.Compound.Names":"3-pentanone|Dtxsid6021820","logHenry":-4.296,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9062,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.295,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2625,"logWSol.Reference":"EPA-CCD-OPERA","MP":-42.07,"MP.Reference":"EPA-CCD-OPERA","MW":86.13,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-22-0"}
{"Compound":"1,3-dichloro-2-propanol","CAS":"96-23-1","CAS.Checksum":true,"DTXSID":"DTXSID6025010","Formula":"C3H6Cl2O","All.Compound.Names":"1,3-dichloro-2-propanol|Dtxsid6025010|96-23-1","logHenry":-5.688,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7652,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.934,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1109,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.896,"MP.Reference":"EPA-CCD-OPERA","MW":129,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-23-1"}
{"Compound":"3-chloro-1,2-propanediol","CAS":"96-24-2","CAS.Checksum":true,"DTXSID":"DTXSID4020664","Formula":"C3H7ClO2","All.Compound.Names":"3-chloro-1,2-propanediol|Dtxsid4020664|96-24-2","logHenry":-7.38,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3707,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.482,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4574,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.25,"MP.Reference":"EPA-CCD-OPERA","MW":110.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-24-2"}
{"Compound":"1-thioglycerol","CAS":"96-27-5","CAS.Checksum":true,"DTXSID":"DTXSID5046512","Formula":"C3H8O2S","All.Compound.Names":"1-thioglycerol|Dtxsid5046512|96-27-5","logHenry":-7.025,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.301,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.381,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8146,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.51,"MP.Reference":"EPA-CCD-OPERA","MW":108.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-27-5"}
{"Compound":"2-butanone oxime","CAS":"96-29-7","CAS.Checksum":true,"DTXSID":"DTXSID1021821","Formula":"C4H9NO","All.Compound.Names":"2-butanone oxime|Dtxsid1021821|96-29-7","logHenry":-6.068,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6279,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.236,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.05647,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.23,"MP.Reference":"EPA-CCD-OPERA","MW":87.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-29-7"}
{"Compound":"N,n'-dimethylurea","CAS":"96-31-1","CAS.Checksum":true,"DTXSID":"DTXSID5025156","Formula":"C3H8N2O","All.Compound.Names":"N,n'-dimethylurea|Dtxsid5025156|96-31-1","logHenry":-7.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.49,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.893,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9339,"logWSol.Reference":"EPA-CCD-OPERA","MP":108,"MP.Reference":"EPA-CCD-OPERA","MW":88.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-31-1"}
{"Compound":"Methyl acrylate","CAS":"96-33-3","CAS.Checksum":true,"DTXSID":"DTXSID0024183","Formula":"C4H6O2","All.Compound.Names":"Methyl acrylate|Dtxsid0024183","logHenry":-3.778,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7999,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.946,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2338,"logWSol.Reference":"EPA-CCD-OPERA","MP":-77.37,"MP.Reference":"EPA-CCD-OPERA","MW":86.09,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-33-3"}
{"Compound":"Methylcyclopentane","CAS":"96-37-7","CAS.Checksum":true,"DTXSID":"DTXSID3025590","Formula":"C6H12","All.Compound.Names":"Methylcyclopentane|Dtxsid3025590","logHenry":-0.6913,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.37,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2632,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.298,"logWSol.Reference":"EPA-CCD-OPERA","MP":-153.8,"MP.Reference":"EPA-CCD-OPERA","MW":84.16,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-37-7"}
{"Compound":"Cyclopentanol","CAS":"96-41-3","CAS.Checksum":true,"DTXSID":"DTXSID1033371","Formula":"C5H10O","All.Compound.Names":"Cyclopentanol|Dtxsid1033371|96-41-3","logHenry":-5.117,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8867,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.379,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2441,"logWSol.Reference":"EPA-CCD-OPERA","MP":-19,"MP.Reference":"EPA-CCD-OPERA","MW":86.13,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-41-3"}
{"Compound":"Ethylene thiourea","CAS":"96-45-7","CAS.Checksum":true,"DTXSID":"DTXSID5020601","Formula":"C3H6N2S","All.Compound.Names":"Ethylene thiourea|4,5-dihydro-2-mercaptoimidazole|Dtxsid5020601|96-45-7","logHenry":-8.413,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6598,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.852,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.707,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.8,"MP.Reference":"EPA-CCD-OPERA","MW":102.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-45-7"}
{"Compound":"2-methyltetrahydrofuran","CAS":"96-47-9","CAS.Checksum":true,"DTXSID":"DTXSID9030258","Formula":"C5H10O","All.Compound.Names":"2-methyltetrahydrofuran|Dtxsid9030258","logHenry":-4.029,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.196,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.921,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1639,"logWSol.Reference":"EPA-CCD-OPERA","MP":-48.07,"MP.Reference":"EPA-CCD-OPERA","MW":86.13,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-47-9"}
{"Compound":"4-butyrolactone","CAS":"96-48-0","CAS.Checksum":true,"DTXSID":"DTXSID6020224","Formula":"C4H6O2","All.Compound.Names":"4-butyrolactone|Gamma-butyrolactone|Dtxsid6020224","logHenry":-7.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6384,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.652,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.064,"logWSol.Reference":"EPA-CCD-OPERA","MP":-43.02,"MP.Reference":"EPA-CCD-OPERA","MW":86.09,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-48-0"}
{"Compound":"1,3-dioxolan-2-one","CAS":"96-49-1","CAS.Checksum":true,"DTXSID":"DTXSID2026600","Formula":"C3H4O3","All.Compound.Names":"1,3-dioxolan-2-one|Dtxsid2026600","logHenry":-7.865,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7545,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.384,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.051,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.24,"MP.Reference":"EPA-CCD-OPERA","MW":88.06,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-49-1"}
{"Compound":"2-aminothiazole","CAS":"96-50-4","CAS.Checksum":true,"DTXSID":"DTXSID5024508","Formula":"C3H4N2S","All.Compound.Names":"2-aminothiazole|Dtxsid5024508|96-50-4","logHenry":-6.016,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3796,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.644,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3606,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.99,"MP.Reference":"EPA-CCD-OPERA","MW":100.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-50-4"}
{"Compound":"1-methylpyrrole","CAS":"96-54-8","CAS.Checksum":true,"DTXSID":"DTXSID3052648","Formula":"C5H7N","All.Compound.Names":"1-methylpyrrole|Dtxsid3052648|96-54-8","logHenry":-2.175,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.211,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.009,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.09041,"logWSol.Reference":"EPA-CCD-OPERA","MP":-72.88,"MP.Reference":"EPA-CCD-OPERA","MW":81.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-54-8"}
{"Compound":"Dinsed","CAS":"96-62-8","CAS.Checksum":true,"DTXSID":"DTXSID3046297","Formula":"C14H14N4O8S2","All.Compound.Names":"Dinsed|Dtxsid3046297|96-62-8","logHenry":-9.85,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.271,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.104,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.034,"logWSol.Reference":"EPA-CCD-OPERA","MP":190,"MP.Reference":"EPA-CCD-OPERA","MW":430.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-62-8"}
{"Compound":"4,4'-thiobis(6-tert-butyl-m-cresol)","CAS":"96-69-5","CAS.Checksum":true,"DTXSID":"DTXSID4021341","Formula":"C22H30O2S","All.Compound.Names":"4,4'-thiobis(6-tert-butyl-m-cresol)|Dtxsid4021341|96-69-5","logHenry":-7.087,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.687,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.767,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.438,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.8,"MP.Reference":"EPA-CCD-OPERA","MW":358.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-69-5"}
{"Compound":"2-(diisopropylamino)ethanol","CAS":"96-80-0","CAS.Checksum":true,"DTXSID":"DTXSID6021822","Formula":"C8H19NO","All.Compound.Names":"2-(diisopropylamino)ethanol|N,n-diisopropylaminoethanol|Dtxsid6021822|96-80-0","logHenry":-5.564,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.672,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.018,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.077,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.84,"MP.Reference":"EPA-CCD-OPERA","MW":145.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-80-0"}
{"Compound":"Lactobionic acid","CAS":"96-82-2","CAS.Checksum":true,"DTXSID":"DTXSID3048861","Formula":"C12H22O12","All.Compound.Names":"Lactobionic acid|Dtxsid3048861|96-82-2","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.067,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.65,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5424,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.8,"MP.Reference":"EPA-CCD-OPERA","MW":358.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.34","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-82-2"}
{"Compound":"Iopanoic acid","CAS":"96-83-3","CAS.Checksum":true,"DTXSID":"DTXSID6023159","Formula":"C11H12I3NO2","All.Compound.Names":"Iopanoic acid|Dtxsid6023159|96-83-3","logHenry":-9.294,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.599,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.798,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.679,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.3,"MP.Reference":"EPA-CCD-OPERA","MW":570.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.89","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-83-3"}
{"Compound":"Iophenoxic acid","CAS":"96-84-4","CAS.Checksum":true,"DTXSID":"DTXSID1046265","Formula":"C11H11I3O3","All.Compound.Names":"Iophenoxic acid|Dtxsid1046265|96-84-4","logHenry":-9.25,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.798,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.487,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.026,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.2,"MP.Reference":"EPA-CCD-OPERA","MW":571.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-84-4"}
{"Compound":"2-amino-4,6-dinitrophenol","CAS":"96-91-3","CAS.Checksum":true,"DTXSID":"DTXSID5024479","Formula":"C6H5N3O5","All.Compound.Names":"2-amino-4,6-dinitrophenol|Dtxsid5024479|96-91-3","logHenry":-7.498,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9318,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.988,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.32,"logWSol.Reference":"EPA-CCD-OPERA","MP":169,"MP.Reference":"EPA-CCD-OPERA","MW":199.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-91-3"}
{"Compound":"4-methoxy-2-nitroaniline","CAS":"96-96-8","CAS.Checksum":true,"DTXSID":"DTXSID3044750","Formula":"C7H8N2O3","All.Compound.Names":"4-methoxy-2-nitroaniline|Dtxsid3044750|96-96-8","logHenry":-6.875,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.938,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.784,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.147,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.3,"MP.Reference":"EPA-CCD-OPERA","MW":168.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-96-8"}
{"Compound":"4-methyl-3-nitrobenzoic acid","CAS":"96-98-0","CAS.Checksum":true,"DTXSID":"DTXSID6025642","Formula":"C8H7NO4","All.Compound.Names":"4-methyl-3-nitrobenzoic acid|3-nitro-p-toluic acid|Dtxsid6025642|96-98-0","logHenry":-7.62,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.347,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.384,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.077,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.6,"MP.Reference":"EPA-CCD-OPERA","MW":181.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-98-0"}
{"Compound":"Triphenylborane","CAS":"960-71-4","CAS.Checksum":true,"DTXSID":"DTXSID6027345","Formula":"C18H15B","All.Compound.Names":"Triphenylborane|Dtxsid6027345","logHenry":-4.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.686,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.086,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.988,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.5,"MP.Reference":"EPA-CCD-OPERA","MW":242.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"960-71-4"}
{"Compound":"Eflornithine hydrochloride","CAS":"96020-91-6","CAS.Checksum":true,"DTXSID":"DTXSID4045765","Formula":"C6H15ClF2N2O3","All.Compound.Names":"Eflornithine hydrochloride|Eflornithine hydrochloride monohydrate|Dtxsid4045765|96020-91-6","logHenry":-9.374,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.673,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.932,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6936,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.6,"MP.Reference":"EPA-CCD-OPERA","MW":236.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96020-91-6"}
{"Compound":"Tetrachlorovinphos","CAS":"961-11-5","CAS.Checksum":true,"DTXSID":"DTXSID1021320","Formula":"C10H9Cl4O4P","All.Compound.Names":"Tetrachlorovinphos|Dtxsid1021320","logHenry":-8.191,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.531,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.218,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.514,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.16,"MP.Reference":"EPA-CCD-OPERA","MW":366,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"961-11-5"}
{"Compound":"Sulfaethoxypyridazine","CAS":"963-14-4","CAS.Checksum":true,"DTXSID":"DTXSID4048696","Formula":"C12H14N4O3S","All.Compound.Names":"Sulfaethoxypyridazine|Dtxsid4048696|963-14-4","logHenry":-9.845,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.746,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.518,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.678,"logWSol.Reference":"EPA-CCD-OPERA","MP":183,"MP.Reference":"EPA-CCD-OPERA","MW":294.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"963-14-4"}
{"Compound":"Demoxepam","CAS":"963-39-3","CAS.Checksum":true,"DTXSID":"DTXSID4046155","Formula":"C15H11ClN2O2","All.Compound.Names":"Demoxepam|Dtxsid4046155|963-39-3","logHenry":-9.419,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.493,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.648,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.459,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.9,"MP.Reference":"EPA-CCD-OPERA","MW":286.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"963-39-3"}
{"Compound":"Moxisylyte hydrochloride","CAS":"964-52-3","CAS.Checksum":true,"DTXSID":"DTXSID9046946","Formula":"C16H26ClNO3","All.Compound.Names":"Moxisylyte hydrochloride|Dtxsid9046946|964-52-3","logHenry":-7.731,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8876,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.124,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.991,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.2,"MP.Reference":"EPA-CCD-OPERA","MW":315.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"964-52-3"}
{"Compound":"Nifuroxazide","CAS":"965-52-6","CAS.Checksum":true,"DTXSID":"DTXSID4045343","Formula":"C12H9N3O5","All.Compound.Names":"Nifuroxazide|Dtxsid4045343|965-52-6","logHenry":-9.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.085,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.933,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.242,"logWSol.Reference":"EPA-CCD-OPERA","MP":297.9,"MP.Reference":"EPA-CCD-OPERA","MW":275.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"965-52-6"}
{"Compound":"Ethylestrenol","CAS":"965-90-2","CAS.Checksum":true,"DTXSID":"DTXSID6023024","Formula":"C20H32O","All.Compound.Names":"Ethylestrenol|Dtxsid6023024|965-90-2","logHenry":-5.892,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.901,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.946,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.987,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.18,"MP.Reference":"EPA-CCD-OPERA","MW":288.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"965-90-2"}
{"Compound":"3-pyridinepropanoicacid, 2,6-dichloro-5-fluoro-b-oxo-, ethyl ester","CAS":"96568-04-6","CAS.Checksum":true,"DTXSID":"DTXSID4049379","Formula":"C10H8Cl2FNO3","All.Compound.Names":"3-pyridinepropanoicacid, 2,6-dichloro-5-fluoro-b-oxo-, ethyl ester|Ethyl 2,6-dichloro-5-fluoro-?-oxo-3-pyridinepropionate|Dtxsid4049379|96568-04-6","logHenry":-8.894,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.967,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.446,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.275,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.54,"MP.Reference":"EPA-CCD-OPERA","MW":280.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96568-04-6"}
{"Compound":"2-chloro-n-(2-methyl-4-bromophenyl)acetamide","CAS":"96686-51-0","CAS.Checksum":true,"DTXSID":"DTXSID7041411","Formula":"C9H9BrClNO","All.Compound.Names":"2-chloro-n-(2-methyl-4-bromophenyl)acetamide|Dtxsid7041411|96686-51-0","logHenry":-8.888,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.205,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.598,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.513,"logWSol.Reference":"EPA-CCD-OPERA","MP":111.7,"MP.Reference":"EPA-CCD-OPERA","MW":262.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96686-51-0"}
{"Compound":"U-69593","CAS":"96744-75-1","CAS.Checksum":true,"DTXSID":"DTXSID3046326","Formula":"C22H32N2O2","All.Compound.Names":"U-69593|N-methyl-n-((5r,7s,8s)-7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)benzeneacetamide|Dtxsid3046326|96744-75-1","logHenry":-6.971,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.749,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.982,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.323,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.2,"MP.Reference":"EPA-CCD-OPERA","MW":356.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96744-75-1"}
{"Compound":"Butinoline","CAS":"968-63-8","CAS.Checksum":true,"DTXSID":"DTXSID3046295","Formula":"C20H21NO","All.Compound.Names":"Butinoline|Dtxsid3046295|968-63-8","logHenry":-6.937,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.963,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.799,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.964,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.98,"MP.Reference":"EPA-CCD-OPERA","MW":291.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"968-63-8"}
{"Compound":"Acetohexamide","CAS":"968-81-0","CAS.Checksum":true,"DTXSID":"DTXSID7020007","Formula":"C15H20N2O4S","All.Compound.Names":"Acetohexamide|Dtxsid7020007|968-81-0","logHenry":-9.499,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.439,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.927,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.064,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.9,"MP.Reference":"EPA-CCD-OPERA","MW":324.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"968-81-0"}
{"Compound":"Testolactone","CAS":"968-93-4","CAS.Checksum":true,"DTXSID":"DTXSID2023644","Formula":"C19H24O3","All.Compound.Names":"Testolactone|Dtxsid2023644","logHenry":-6.734,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.973,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.778,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.239,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.3,"MP.Reference":"EPA-CCD-OPERA","MW":300.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"968-93-4"}
{"Compound":"Orlistat","CAS":"96829-58-2","CAS.Checksum":true,"DTXSID":"DTXSID8023395","Formula":"C29H53NO5","All.Compound.Names":"Orlistat|96829-58-2|Dtxsid8023395","logHenry":-7.408,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.903,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.3,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.118,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.7,"MP.Reference":"EPA-CCD-OPERA","MW":495.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.01,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"96829-58-2"}
{"Compound":"Indatraline hydrochloride","CAS":"96850-13-4","CAS.Checksum":true,"DTXSID":"DTXSID3042631","Formula":"C16H16Cl3N","All.Compound.Names":"Indatraline hydrochloride|(1r,3s)-3-(3,4-dichlorophenyl)-n-methyl-2,3-dihydro-1h-inden-1-amine;hydrochloride|Dtxsid3042631|96850-13-4","logHenry":-3.146,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7917,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.936,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.82,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.1,"MP.Reference":"EPA-CCD-OPERA","MW":328.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96850-13-4"}
{"Compound":"1-chloro-2,4-dinitrobenzene","CAS":"97-00-7","CAS.Checksum":true,"DTXSID":"DTXSID6020278","Formula":"C6H3ClN2O4","All.Compound.Names":"1-chloro-2,4-dinitrobenzene|Dtxsid6020278","logHenry":-6.601,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.169,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.519,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.649,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.21,"MP.Reference":"EPA-CCD-OPERA","MW":202.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-00-7"}
{"Compound":"2,4-dinitroaniline","CAS":"97-02-9","CAS.Checksum":true,"DTXSID":"DTXSID1021823","Formula":"C6H5N3O4","All.Compound.Names":"2,4-dinitroaniline|Dtxsid1021823|97-02-9","logHenry":-7.183,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.406,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.352,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.453,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.9,"MP.Reference":"EPA-CCD-OPERA","MW":183.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-02-9"}
{"Compound":"2,4-dichlorophenyl benzenesulfonate","CAS":"97-16-5","CAS.Checksum":true,"DTXSID":"DTXSID5020447","Formula":"C12H8Cl2O3S","All.Compound.Names":"2,4-dichlorophenyl benzenesulfonate|Dtxsid5020447","logHenry":-4.474,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.234,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.377,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.736,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.7,"MP.Reference":"EPA-CCD-OPERA","MW":303.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-16-5"}
{"Compound":"Dichlofenthion","CAS":"97-17-6","CAS.Checksum":true,"DTXSID":"DTXSID8040274","Formula":"C10H13Cl2O3PS","All.Compound.Names":"Dichlofenthion|Dtxsid8040274","logHenry":-5.556,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.138,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.76,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.104,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.11,"MP.Reference":"EPA-CCD-OPERA","MW":315.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-17-6"}
{"Compound":"Bithionol","CAS":"97-18-7","CAS.Checksum":true,"DTXSID":"DTXSID9021342","Formula":"C12H6Cl4O2S","All.Compound.Names":"Bithionol|Dtxsid9021342|97-18-7","logHenry":-8.828,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.033,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.213,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.949,"logWSol.Reference":"EPA-CCD-OPERA","MP":188,"MP.Reference":"EPA-CCD-OPERA","MW":356,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-18-7"}
{"Compound":"Fenticlor","CAS":"97-24-5","CAS.Checksum":true,"DTXSID":"DTXSID4026137","Formula":"C12H8Cl2O2S","All.Compound.Names":"Fenticlor|Dtxsid4026137|97-24-5","logHenry":-9.07,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.025,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.144,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.103,"logWSol.Reference":"EPA-CCD-OPERA","MP":174,"MP.Reference":"EPA-CCD-OPERA","MW":287.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-24-5"}
{"Compound":"Methyl alpha-d-glucopyranoside","CAS":"97-30-3","CAS.Checksum":true,"DTXSID":"DTXSID7026605","Formula":"C7H14O6","All.Compound.Names":"Methyl alpha-d-glucopyranoside|Dtxsid7026605|97-30-3","logHenry":-8.723,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.122,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.3,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.00811,"logWSol.Reference":"EPA-CCD-OPERA","MP":168,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-30-3"}
{"Compound":"4-methoxy-3-nitro-n-phenylbenzamide","CAS":"97-32-5","CAS.Checksum":true,"DTXSID":"DTXSID7025558","Formula":"C14H12N2O4","All.Compound.Names":"4-methoxy-3-nitro-n-phenylbenzamide|Dtxsid7025558|97-32-5","logHenry":-8.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.127,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.063,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.482,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.7,"MP.Reference":"EPA-CCD-OPERA","MW":272.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-32-5"}
{"Compound":"Butanamide, n-(2,4-dimethylphenyl)-3-oxo-","CAS":"97-36-9","CAS.Checksum":true,"DTXSID":"DTXSID4040719","Formula":"C12H15NO2","All.Compound.Names":"Butanamide, n-(2,4-dimethylphenyl)-3-oxo-|N-(2,4-dimethylphenyl)-3-oxobutanamide|Dtxsid4040719|97-36-9","logHenry":-9.643,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.018,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.785,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.696,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.12,"MP.Reference":"EPA-CCD-OPERA","MW":205.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-36-9"}
{"Compound":"1,3-bis(2-methylphenyl)guanidine","CAS":"97-39-2","CAS.Checksum":true,"DTXSID":"DTXSID2026606","Formula":"C15H17N3","All.Compound.Names":"1,3-bis(2-methylphenyl)guanidine|1,3-di-o-tolylguanidine|Dtxsid2026606|97-39-2","logHenry":-8.442,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.755,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.781,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.345,"logWSol.Reference":"EPA-CCD-OPERA","MP":179,"MP.Reference":"EPA-CCD-OPERA","MW":239.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-39-2"}
{"Compound":"Carvyl acetate","CAS":"97-42-7","CAS.Checksum":true,"DTXSID":"DTXSID3024738","Formula":"C12H18O2","All.Compound.Names":"Carvyl acetate|Dtxsid3024738","logHenry":-3.418,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.504,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.221,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.685,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.923,"MP.Reference":"EPA-CCD-OPERA","MW":194.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-42-7"}
{"Compound":"Acetarsol","CAS":"97-44-9","CAS.Checksum":true,"DTXSID":"DTXSID9045847","Formula":"C8H10AsNO5","All.Compound.Names":"Acetarsol","MW":275.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-44-9"}
{"Compound":"2-methoxy-4-nitroaniline","CAS":"97-52-9","CAS.Checksum":true,"DTXSID":"DTXSID0038700","Formula":"C7H8N2O3","All.Compound.Names":"2-methoxy-4-nitroaniline|Dtxsid0038700|97-52-9","logHenry":-8.249,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.536,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.178,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.196,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.7,"MP.Reference":"EPA-CCD-OPERA","MW":168.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-52-9"}
{"Compound":"Allantoin","CAS":"97-59-6","CAS.Checksum":true,"DTXSID":"DTXSID3020043","Formula":"C4H6N4O3","All.Compound.Names":"Allantoin|Dtxsid3020043|97-59-6","logHenry":-8.999,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.36,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.74,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.54,"logWSol.Reference":"EPA-CCD-OPERA","MP":237.9,"MP.Reference":"EPA-CCD-OPERA","MW":158.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-59-6"}
{"Compound":"2-methylpentanoic acid","CAS":"97-61-0","CAS.Checksum":true,"DTXSID":"DTXSID9021633","Formula":"C6H12O2","All.Compound.Names":"2-methylpentanoic acid|Dtxsid9021633|97-61-0","logHenry":-6.084,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.799,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.957,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8872,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.315,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-61-0"}
{"Compound":"Ethyl methacrylate","CAS":"97-63-2","CAS.Checksum":true,"DTXSID":"DTXSID1025308","Formula":"C6H10O2","All.Compound.Names":"Ethyl methacrylate|Dtxsid1025308","logHenry":-3.918,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.939,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.764,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.318,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.8867,"MP.Reference":"EPA-CCD-OPERA","MW":114.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-63-2"}
{"Compound":"Ethyl lactate","CAS":"97-64-3","CAS.Checksum":true,"DTXSID":"DTXSID6029127","Formula":"C5H10O3","All.Compound.Names":"Ethyl lactate|Dtxsid6029127|97-64-3","logHenry":-6.172,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.04012,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.163,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9255,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.49,"MP.Reference":"EPA-CCD-OPERA","MW":118.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-64-3"}
{"Compound":"Methylenebutanedioic acid","CAS":"97-65-4","CAS.Checksum":true,"DTXSID":"DTXSID2026608","Formula":"C5H6O4","All.Compound.Names":"Methylenebutanedioic acid|Dtxsid2026608|97-65-4","logHenry":-8.034,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2606,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.687,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.223,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.8,"MP.Reference":"EPA-CCD-OPERA","MW":130.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-65-4"}
{"Compound":"Isobutyric anhydride","CAS":"97-72-3","CAS.Checksum":true,"DTXSID":"DTXSID7026609","Formula":"C8H14O3","All.Compound.Names":"Isobutyric anhydride|Dtxsid7026609","logHenry":-4.512,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.645,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.296,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.616,"logWSol.Reference":"EPA-CCD-OPERA","MP":-53.57,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-72-3"}
{"Compound":"Tetramethylthiuram monosulfide","CAS":"97-74-5","CAS.Checksum":true,"DTXSID":"DTXSID0021333","Formula":"C6H12N2S3","All.Compound.Names":"Tetramethylthiuram monosulfide|Tetramethyl thiuram monosulfide|Dtxsid0021333|97-74-5","logHenry":-8.334,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9374,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.624,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.764,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.4,"MP.Reference":"EPA-CCD-OPERA","MW":208.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"18.06","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0.6276,0.5548,0.7004","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"97-74-5"}
{"Compound":"N-dodecanoyl-n-methylglycine","CAS":"97-78-9","CAS.Checksum":true,"DTXSID":"DTXSID7042011","Formula":"C15H29NO3","All.Compound.Names":"N-dodecanoyl-n-methylglycine|N-lauroyl sarcosine|Dtxsid7042011|97-78-9","logHenry":-8.242,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.792,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.822,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.83,"logWSol.Reference":"EPA-CCD-OPERA","MP":36.85,"MP.Reference":"EPA-CCD-OPERA","MW":271.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"42.07","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0.003219,0.001375,0.005063","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"97-78-9"}
{"Compound":"Isobutyl isobutyrate","CAS":"97-85-8","CAS.Checksum":true,"DTXSID":"DTXSID6026612","Formula":"C8H16O2","All.Compound.Names":"Isobutyl isobutyrate|Dtxsid6026612","logHenry":-3.363,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.741,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.133,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.278,"logWSol.Reference":"EPA-CCD-OPERA","MP":-80.13,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-85-8"}
{"Compound":"Isobutyl methacrylate","CAS":"97-86-9","CAS.Checksum":true,"DTXSID":"DTXSID3025461","Formula":"C8H14O2","All.Compound.Names":"Isobutyl methacrylate|Dtxsid3025461","logHenry":-3.714,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.659,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.071,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.039,"logWSol.Reference":"EPA-CCD-OPERA","MP":-64.62,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-86-9"}
{"Compound":"Butyl methacrylate","CAS":"97-88-1","CAS.Checksum":true,"DTXSID":"DTXSID4024696","Formula":"C8H14O2","All.Compound.Names":"Butyl methacrylate|Dtxsid4024696","logHenry":-3.716,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.877,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.255,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.245,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.82,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-88-1"}
{"Compound":"Citronellyl isobutyrate","CAS":"97-89-2","CAS.Checksum":true,"DTXSID":"DTXSID7052652","Formula":"C14H26O2","All.Compound.Names":"Citronellyl isobutyrate|Dtxsid7052652","logHenry":-4.213,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.321,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.429,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.876,"logWSol.Reference":"EPA-CCD-OPERA","MP":-30.22,"MP.Reference":"EPA-CCD-OPERA","MW":226.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-89-2"}
{"Compound":"Ethylene glycol dimethacrylate","CAS":"97-90-5","CAS.Checksum":true,"DTXSID":"DTXSID1026615","Formula":"C10H14O4","All.Compound.Names":"Ethylene glycol dimethacrylate|Dtxsid1026615","logHenry":-4.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.514,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.195,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.858,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.43,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-90-5"}
{"Compound":"2-ethyl-1-butanol","CAS":"97-95-0","CAS.Checksum":true,"DTXSID":"DTXSID2041416","Formula":"C6H14O","All.Compound.Names":"2-ethyl-1-butanol|Dtxsid2041416|97-95-0","logHenry":-4.697,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.651,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.716,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.274,"logWSol.Reference":"EPA-CCD-OPERA","MP":-41.36,"MP.Reference":"EPA-CCD-OPERA","MW":102.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-95-0"}
{"Compound":"2-ethylbutyraldehyde","CAS":"97-96-1","CAS.Checksum":true,"DTXSID":"DTXSID3049380","Formula":"C6H12O","All.Compound.Names":"2-ethylbutyraldehyde|Dtxsid3049380","logHenry":-3.848,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.699,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.836,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.163,"logWSol.Reference":"EPA-CCD-OPERA","MP":-62.05,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-96-1"}
{"Compound":"Tetrahydrofurfuryl alcohol","CAS":"97-99-4","CAS.Checksum":true,"DTXSID":"DTXSID1029128","Formula":"C5H10O2","All.Compound.Names":"Tetrahydrofurfuryl alcohol|Dtxsid1029128|97-99-4","logHenry":-6.142,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.01179,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.62,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9911,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.75,"MP.Reference":"EPA-CCD-OPERA","MW":102.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97-99-4"}
{"Compound":"Bis(1-piperidinylthioxomethyl)hexasulfide","CAS":"971-15-3","CAS.Checksum":true,"DTXSID":"DTXSID4020535","Formula":"C12H20N2S8","All.Compound.Names":"Bis(1-piperidinylthioxomethyl)hexasulfide|Dtxsid4020535|971-15-3","logHenry":-7.901,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.478,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.2,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.88,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.95,"MP.Reference":"EPA-CCD-OPERA","MW":448.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"971-15-3"}
{"Compound":"Diphenidol","CAS":"972-02-1","CAS.Checksum":true,"DTXSID":"DTXSID3022950","Formula":"C21H27NO","All.Compound.Names":"Diphenidol|Dtxsid3022950|972-02-1","logHenry":-6.577,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.695,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.123,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.405,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.6,"MP.Reference":"EPA-CCD-OPERA","MW":309.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"972-02-1"}
{"Compound":"Dinobuton","CAS":"973-21-7","CAS.Checksum":true,"DTXSID":"DTXSID4040268","Formula":"C14H18N2O7","All.Compound.Names":"Dinobuton|Dtxsid4040268|973-21-7","logHenry":-6.467,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.214,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.307,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.909,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.01,"MP.Reference":"EPA-CCD-OPERA","MW":326.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"973-21-7"}
{"Compound":"Quinelorane","CAS":"97466-90-5","CAS.Checksum":true,"DTXSID":"DTXSID4046315","Formula":"C14H22N4","All.Compound.Names":"Quinelorane|Dtxsid4046315|97466-90-5","logHenry":-8.169,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.281,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.41,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.332,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.2,"MP.Reference":"EPA-CCD-OPERA","MW":246.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97466-90-5"}
{"Compound":"Ceftibuten","CAS":"97519-39-6","CAS.Checksum":true,"DTXSID":"DTXSID4045925","Formula":"C15H14N4O6S2","All.Compound.Names":"Ceftibuten|97519-39-6|Dtxsid4045925","logHenry":-10.68,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7783,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.24,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.117,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.5,"MP.Reference":"EPA-CCD-OPERA","MW":410.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.42","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.055,0.0108,0.279","Human.Caco2.Pab.Reference":"Lanevskij","Human.Foral":0.825,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"97519-39-6"}
{"Compound":"Canrenone","CAS":"976-71-6","CAS.Checksum":true,"DTXSID":"DTXSID3045930","Formula":"C22H28O3","All.Compound.Names":"Canrenone|Dtxsid3045930","logHenry":-7.44,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.681,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.895,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.202,"logWSol.Reference":"EPA-CCD-OPERA","MP":150,"MP.Reference":"EPA-CCD-OPERA","MW":340.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6.61","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"976-71-6"}
{"Compound":"Eticlopride hydrochloride","CAS":"97612-24-3","CAS.Checksum":true,"DTXSID":"DTXSID4045769","Formula":"C17H26Cl2N2O3","All.Compound.Names":"Eticlopride hydrochloride|Dtxsid4045769|97612-24-3","logHenry":-9.634,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6206,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.755,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.468,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.6,"MP.Reference":"EPA-CCD-OPERA","MW":377.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.67","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97612-24-3"}
{"Compound":"Egualen sodium","CAS":"97683-31-3","CAS.Checksum":true,"DTXSID":"DTXSID8048787","Formula":"C15H17NaO3S","All.Compound.Names":"Egualen sodium|Dtxsid8048787|97683-31-3","logHenry":-7.485,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8277,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.554,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6241,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.92,"MP.Reference":"EPA-CCD-OPERA","MW":300.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97683-31-3"}
{"Compound":"Dehydropregnenolone acetate","CAS":"979-02-2","CAS.Checksum":true,"DTXSID":"DTXSID8057857","Formula":"C23H32O3","All.Compound.Names":"Dehydropregnenolone acetate|Dtxsid8057857","logHenry":-7.364,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.019,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.428,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.268,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.2,"MP.Reference":"EPA-CCD-OPERA","MW":356.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"979-02-2"}
{"Compound":"Furfuryl alcohol","CAS":"98-00-0","CAS.Checksum":true,"DTXSID":"DTXSID2025347","Formula":"C5H6O2","All.Compound.Names":"Furfuryl alcohol|Dtxsid2025347|98-00-0","logHenry":-6.753,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2793,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.988,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.009,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.6,"MP.Reference":"EPA-CCD-OPERA","MW":98.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-00-0"}
{"Compound":"Furfural","CAS":"98-01-1","CAS.Checksum":true,"DTXSID":"DTXSID1020647","Formula":"C5H4O2","All.Compound.Names":"Furfural|Dtxsid1020647|98-01-1","logHenry":-6.709,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4111,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.121,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.0994,"logWSol.Reference":"EPA-CCD-OPERA","MP":-37.53,"MP.Reference":"EPA-CCD-OPERA","MW":96.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-01-1"}
{"Compound":"2-furylmethanethiol","CAS":"98-02-2","CAS.Checksum":true,"DTXSID":"DTXSID7052654","Formula":"C5H6OS","All.Compound.Names":"2-furylmethanethiol|Dtxsid7052654|98-02-2","logHenry":-5.015,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.616,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.037,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.488,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.408,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-02-2"}
{"Compound":"Tert-butylbenzene","CAS":"98-06-6","CAS.Checksum":true,"DTXSID":"DTXSID3047138","Formula":"C10H14","All.Compound.Names":"Tert-butylbenzene|Dtxsid3047138","logHenry":-2.103,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.111,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3445,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.661,"logWSol.Reference":"EPA-CCD-OPERA","MP":-57.79,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-06-6"}
{"Compound":"Benzotrichloride","CAS":"98-07-7","CAS.Checksum":true,"DTXSID":"DTXSID1020148","Formula":"C7H5Cl3","All.Compound.Names":"Benzotrichloride|Dtxsid1020148","logHenry":-2.699,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.104,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9044,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.02,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.88,"MP.Reference":"EPA-CCD-OPERA","MW":195.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-07-7"}
{"Compound":"Benzotrifluoride","CAS":"98-08-8","CAS.Checksum":true,"DTXSID":"DTXSID2024589","Formula":"C7H5F3","All.Compound.Names":"Benzotrifluoride|Dtxsid2024589","logHenry":-2.196,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.01,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2583,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.917,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.06,"MP.Reference":"EPA-CCD-OPERA","MW":146.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-08-8"}
{"Compound":"Benzenesulfonyl chloride","CAS":"98-09-9","CAS.Checksum":true,"DTXSID":"DTXSID1026619","Formula":"C6H5ClO2S","All.Compound.Names":"Benzenesulfonyl chloride|Dtxsid1026619","logHenry":-7.113,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9525,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.102,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.549,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.72,"MP.Reference":"EPA-CCD-OPERA","MW":176.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-09-9"}
{"Compound":"Benzenesulfonic acid","CAS":"98-11-3","CAS.Checksum":true,"DTXSID":"DTXSID9024568","Formula":"C6H6O3S","All.Compound.Names":"Benzenesulfonic acid|Dtxsid9024568|98-11-3","logHenry":-7.873,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.226,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.03446,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.08,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-11-3"}
{"Compound":"3-chlorobenzotrifluoride","CAS":"98-15-7","CAS.Checksum":true,"DTXSID":"DTXSID4024773","Formula":"C7H4ClF3","All.Compound.Names":"3-chlorobenzotrifluoride|Dtxsid4024773","logHenry":-2.256,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.688,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2036,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.103,"logWSol.Reference":"EPA-CCD-OPERA","MP":-37.12,"MP.Reference":"EPA-CCD-OPERA","MW":180.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-15-7"}
{"Compound":"3-(trifluoromethyl)aniline","CAS":"98-16-8","CAS.Checksum":true,"DTXSID":"DTXSID9024512","Formula":"C7H6F3N","All.Compound.Names":"3-(trifluoromethyl)aniline|Dtxsid9024512|98-16-8","logHenry":-4.925,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.283,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.614,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.592,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.824,"MP.Reference":"EPA-CCD-OPERA","MW":161.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-16-8"}
{"Compound":"4-tert-butylcatechol","CAS":"98-29-3","CAS.Checksum":true,"DTXSID":"DTXSID5024687","Formula":"C10H14O2","All.Compound.Names":"4-tert-butylcatechol|Dtxsid5024687|98-29-3","logHenry":-6.734,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.95,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.89,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.919,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.59,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-29-3"}
{"Compound":"2-amino-1-phenol-4-sulfonic acid","CAS":"98-37-3","CAS.Checksum":true,"DTXSID":"DTXSID5024500","Formula":"C6H7NO4S","All.Compound.Names":"2-amino-1-phenol-4-sulfonic acid|Dtxsid5024500|98-37-3","logHenry":-10.44,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.308,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.63,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.342,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.3,"MP.Reference":"EPA-CCD-OPERA","MW":189.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-37-3"}
{"Compound":"2-aminobenzene-1,4-disulfonic acid","CAS":"98-44-2","CAS.Checksum":true,"DTXSID":"DTXSID8044751","Formula":"C6H7NO6S2","All.Compound.Names":"2-aminobenzene-1,4-disulfonic acid|Dtxsid8044751|98-44-2","logHenry":-8.53,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6338,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.163,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9617,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.3,"MP.Reference":"EPA-CCD-OPERA","MW":253.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-44-2"}
{"Compound":"1-nitro-3-(trifluoromethyl)benzene","CAS":"98-46-4","CAS.Checksum":true,"DTXSID":"DTXSID9025794","Formula":"C7H4F3NO2","All.Compound.Names":"1-nitro-3-(trifluoromethyl)benzene|Dtxsid9025794","logHenry":-3.014,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.619,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.011,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.885,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.8,"MP.Reference":"EPA-CCD-OPERA","MW":191.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-46-4"}
{"Compound":"(4-aminophenyl)arsonic acid","CAS":"98-50-0","CAS.Checksum":true,"DTXSID":"DTXSID8035138","Formula":"C6H8AsNO3","All.Compound.Names":"(4-aminophenyl)arsonic acid","MW":217.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-50-0"}
{"Compound":"4-tert-butyltoluene","CAS":"98-51-1","CAS.Checksum":true,"DTXSID":"DTXSID1024704","Formula":"C11H16","All.Compound.Names":"4-tert-butyltoluene|Dtxsid1024704","logHenry":-2.104,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.168,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3489,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.771,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.68,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-51-1"}
{"Compound":"4-tert-butylcyclohexanol","CAS":"98-52-2","CAS.Checksum":true,"DTXSID":"DTXSID5026623","Formula":"C10H20O","All.Compound.Names":"4-tert-butylcyclohexanol|Dtxsid5026623|98-52-2","logHenry":-4.769,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.23,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.191,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.41,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-52-2"}
{"Compound":"4-tert-butylcyclohexanone","CAS":"98-53-3","CAS.Checksum":true,"DTXSID":"DTXSID7044394","Formula":"C10H18O","All.Compound.Names":"4-tert-butylcyclohexanone|Dtxsid7044394","logHenry":-3.944,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.916,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.949,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.311,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.45,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-53-3"}
{"Compound":"Alpha-terpineol","CAS":"98-55-5","CAS.Checksum":true,"DTXSID":"DTXSID5026625","Formula":"C10H18O","All.Compound.Names":"Alpha-terpineol|Dtxsid5026625|98-55-5","logHenry":-5.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.981,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.174,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.263,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.11,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-55-5"}
{"Compound":"1-chloro-4-(trifluoromethyl)benzene","CAS":"98-56-6","CAS.Checksum":true,"DTXSID":"DTXSID7024821","Formula":"C7H4ClF3","All.Compound.Names":"1-chloro-4-(trifluoromethyl)benzene|Dtxsid7024821","logHenry":-2.258,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.662,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.23,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.103,"logWSol.Reference":"EPA-CCD-OPERA","MP":-35.68,"MP.Reference":"EPA-CCD-OPERA","MW":180.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-56-6"}
{"Compound":"4-chlorophenyl methyl sulfone","CAS":"98-57-7","CAS.Checksum":true,"DTXSID":"DTXSID3023974","Formula":"C7H7ClO2S","All.Compound.Names":"4-chlorophenyl methyl sulfone|Dtxsid3023974","logHenry":-7.015,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.061,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.813,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.047,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.77,"MP.Reference":"EPA-CCD-OPERA","MW":190.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-57-7"}
{"Compound":"4-chlorobenzenesulfonic acid","CAS":"98-66-8","CAS.Checksum":true,"DTXSID":"DTXSID7044473","Formula":"C6H5ClO3S","All.Compound.Names":"4-chlorobenzenesulfonic acid|4-chlorobenzenesulphonic acid|Dtxsid7044473|98-66-8","logHenry":-8.681,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.266,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.503,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2201,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.03,"MP.Reference":"EPA-CCD-OPERA","MW":192.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-66-8"}
{"Compound":"4-phenolsulfonic acid","CAS":"98-67-9","CAS.Checksum":true,"DTXSID":"DTXSID1046421","Formula":"C6H6O4S","All.Compound.Names":"4-phenolsulfonic acid|4-hydroxyphenylsulfonic acid|Dtxsid1046421|98-67-9","logHenry":-10.41,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.08048,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.92,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1633,"logWSol.Reference":"EPA-CCD-OPERA","MP":208.4,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-67-9"}
{"Compound":"4-ethylbenzenesulfonic acid","CAS":"98-69-1","CAS.Checksum":true,"DTXSID":"DTXSID4046571","Formula":"C8H10O3S","All.Compound.Names":"4-ethylbenzenesulfonic acid|Dtxsid4046571|98-69-1","logHenry":-7.869,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.111,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.282,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.0654,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.57,"MP.Reference":"EPA-CCD-OPERA","MW":186.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-69-1"}
{"Compound":"Nitarsone","CAS":"98-72-6","CAS.Checksum":true,"DTXSID":"DTXSID9045007","Formula":"C6H6AsNO5","All.Compound.Names":"Nitarsone","MW":247,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-72-6"}
{"Compound":"4-tert-butylbenzoic acid","CAS":"98-73-7","CAS.Checksum":true,"DTXSID":"DTXSID0040703","Formula":"C11H14O2","All.Compound.Names":"4-tert-butylbenzoic acid|Dtxsid0040703|98-73-7","logHenry":-6.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.846,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.906,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.799,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.5,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-73-7"}
{"Compound":"Pidolic acid","CAS":"98-79-3","CAS.Checksum":true,"DTXSID":"DTXSID6046260","Formula":"C5H7NO3","All.Compound.Names":"Pidolic acid|Dtxsid6046260|98-79-3","logHenry":-8.038,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.08,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.849,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6297,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.7,"MP.Reference":"EPA-CCD-OPERA","MW":129.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-79-3"}
{"Compound":"Cumene","CAS":"98-82-8","CAS.Checksum":true,"DTXSID":"DTXSID1021827","Formula":"C9H12","All.Compound.Names":"Cumene|Dtxsid1021827","logHenry":-1.944,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.663,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3282,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.283,"logWSol.Reference":"EPA-CCD-OPERA","MP":-94.08,"MP.Reference":"EPA-CCD-OPERA","MW":120.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-82-8"}
{"Compound":"Alpha-methylstyrene","CAS":"98-83-9","CAS.Checksum":true,"DTXSID":"DTXSID9025661","Formula":"C9H10","All.Compound.Names":"Alpha-methylstyrene|Dtxsid9025661","logHenry":-2.397,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.48,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.012,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.01,"logWSol.Reference":"EPA-CCD-OPERA","MP":-52.98,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-83-9"}
{"Compound":"Alpha-methylbenzyl alcohol","CAS":"98-85-1","CAS.Checksum":true,"DTXSID":"DTXSID1020859","Formula":"C8H10O","All.Compound.Names":"Alpha-methylbenzyl alcohol|Dtxsid1020859|98-85-1","logHenry":-6.171,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.421,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.36,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.138,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.99,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-85-1"}
{"Compound":"Benzoyl chloride","CAS":"98-88-4","CAS.Checksum":true,"DTXSID":"DTXSID9026631","Formula":"C7H5ClO","All.Compound.Names":"Benzoyl chloride|Dtxsid9026631","logHenry":-6.052,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.237,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.344,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.06,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.8804,"MP.Reference":"EPA-CCD-OPERA","MW":140.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-88-4"}
{"Compound":"Niacinamide","CAS":"98-92-0","CAS.Checksum":true,"DTXSID":"DTXSID2020929","Formula":"C6H6N2O","All.Compound.Names":"Niacinamide|Dtxsid2020929|98-92-0","logHenry":-8.642,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3698,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.825,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6809,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.5,"MP.Reference":"EPA-CCD-OPERA","MW":122.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.22","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-92-0"}
{"Compound":"N,n-dimethylcyclohexylamine","CAS":"98-94-2","CAS.Checksum":true,"DTXSID":"DTXSID9026633","Formula":"C8H17N","All.Compound.Names":"N,n-dimethylcyclohexylamine|Dtxsid9026633|98-94-2","logHenry":-4.626,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.08,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.851,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.07,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.43,"MP.Reference":"EPA-CCD-OPERA","MW":127.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-94-2"}
{"Compound":"Pyrazinamide","CAS":"98-96-4","CAS.Checksum":true,"DTXSID":"DTXSID9021215","Formula":"C5H5N3O","All.Compound.Names":"Pyrazinamide|98-96-4|Dtxsid9021215","logHenry":-8.329,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6007,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.059,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9105,"logWSol.Reference":"EPA-CCD-OPERA","MP":192,"MP.Reference":"EPA-CCD-OPERA","MW":123.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-1.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.9,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"98-96-4"}
{"Compound":"Picolinic acid","CAS":"98-98-6","CAS.Checksum":true,"DTXSID":"DTXSID7031903","Formula":"C6H5NO2","All.Compound.Names":"Picolinic acid|Dtxsid7031903|98-98-6","logHenry":-8.036,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7171,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.278,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8768,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.4,"MP.Reference":"EPA-CCD-OPERA","MW":123.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-98-6"}
{"Compound":"Lomefloxacin hydrochloride","CAS":"98079-52-8","CAS.Checksum":true,"DTXSID":"DTXSID2045527","Formula":"C17H20ClF2N3O3","All.Compound.Names":"Lomefloxacin hydrochloride|Dtxsid2045527|98079-52-8","logHenry":-10.35,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4413,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.841,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.532,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.6,"MP.Reference":"EPA-CCD-OPERA","MW":387.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98079-52-8"}
{"Compound":"Sarafloxacin","CAS":"98105-99-8","CAS.Checksum":true,"DTXSID":"DTXSID8048494","Formula":"C20H17F2N3O3","All.Compound.Names":"Sarafloxacin|Dtxsid8048494|98105-99-8","logHenry":-10.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1139,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.599,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.585,"logWSol.Reference":"EPA-CCD-OPERA","MP":215.6,"MP.Reference":"EPA-CCD-OPERA","MW":385.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98105-99-8"}
{"Compound":"Epsiprantel","CAS":"98123-83-2","CAS.Checksum":true,"DTXSID":"DTXSID3057858","Formula":"C20H26N2O2","All.Compound.Names":"Epsiprantel|Dtxsid3057858|98123-83-2","logHenry":-8.154,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.671,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.05,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.413,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.4,"MP.Reference":"EPA-CCD-OPERA","MW":326.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98123-83-2"}
{"Compound":"Chloramphenicol sodium succinate","CAS":"982-57-0","CAS.Checksum":true,"DTXSID":"DTXSID2024747","Formula":"C15H15Cl2N2NaO8","All.Compound.Names":"Chloramphenicol sodium succinate|Dtxsid2024747|982-57-0","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6261,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.705,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.082,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.1,"MP.Reference":"EPA-CCD-OPERA","MW":445.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"982-57-0"}
{"Compound":"Eltoprazine hydrochloride","CAS":"98206-09-8","CAS.Checksum":true,"DTXSID":"DTXSID2046090","Formula":"C12H17ClN2O2","All.Compound.Names":"Eltoprazine hydrochloride|Dtxsid2046090|98206-09-8","logHenry":-9.285,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7872,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.681,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.7,"MP.Reference":"EPA-CCD-OPERA","MW":256.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98206-09-8"}
{"Compound":"Carmoxirole","CAS":"98323-83-2","CAS.Checksum":true,"DTXSID":"DTXSID0043892","Formula":"C24H26N2O2","All.Compound.Names":"Carmoxirole|Dtxsid0043892|98323-83-2","logHenry":-11.11,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.637,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.957,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.283,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.5,"MP.Reference":"EPA-CCD-OPERA","MW":374.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98323-83-2"}
{"Compound":"Anpirtoline","CAS":"98330-05-3","CAS.Checksum":true,"DTXSID":"DTXSID7045659","Formula":"C10H13ClN2S","All.Compound.Names":"Anpirtoline|Dtxsid7045659|98330-05-3","logHenry":-7.224,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.183,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.267,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.958,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.4,"MP.Reference":"EPA-CCD-OPERA","MW":228.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98330-05-3"}
{"Compound":"Metoprolol succinate","CAS":"98418-47-4","CAS.Checksum":true,"DTXSID":"DTXSID9048726","Formula":"C34H56N2O10","All.Compound.Names":"Metoprolol succinate|Dtxsid9048726|98418-47-4","logHenry":-7.568,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6783,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.721,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.203,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.2,"MP.Reference":"EPA-CCD-OPERA","MW":652.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98418-47-4"}
{"Compound":"Ethaverine hydrochloride","CAS":"985-13-7","CAS.Checksum":true,"DTXSID":"DTXSID2047779","Formula":"C24H30ClNO4","All.Compound.Names":"Ethaverine hydrochloride|Dtxsid2047779|985-13-7","logHenry":-7.516,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.101,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.66,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.23,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.2,"MP.Reference":"EPA-CCD-OPERA","MW":432,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"985-13-7"}
{"Compound":"Sobuzoxane","CAS":"98631-95-9","CAS.Checksum":true,"DTXSID":"DTXSID5045203","Formula":"C22H34N4O10","All.Compound.Names":"Sobuzoxane|Dtxsid5045203|98631-95-9","logHenry":-8.046,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.715,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.962,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.143,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.52,"MP.Reference":"EPA-CCD-OPERA","MW":514.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98631-95-9"}
{"Compound":"Ropivacaine hydrochloride","CAS":"98717-15-8","CAS.Checksum":true,"DTXSID":"DTXSID2048379","Formula":"C17H27ClN2O","All.Compound.Names":"Ropivacaine hydrochloride|Dtxsid2048379|98717-15-8","logHenry":-9.504,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.153,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.922,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.391,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.9,"MP.Reference":"EPA-CCD-OPERA","MW":310.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98717-15-8"}
{"Compound":"Benoxacor","CAS":"98730-04-2","CAS.Checksum":true,"DTXSID":"DTXSID3029572","Formula":"C11H11Cl2NO2","All.Compound.Names":"Benoxacor|Dtxsid3029572|98730-04-2","logHenry":-8.197,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.788,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.108,"logWSol.Reference":"EPA-CCD-OPERA","MP":107.6,"MP.Reference":"EPA-CCD-OPERA","MW":260.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98730-04-2"}
{"Compound":"Cefpirome sulfate","CAS":"98753-19-6","CAS.Checksum":true,"DTXSID":"DTXSID8046909","Formula":"C22H24N6O9S3","All.Compound.Names":"Cefpirome sulfate|Dtxsid8046909|98753-19-6","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6112,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.09,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.901,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.1,"MP.Reference":"EPA-CCD-OPERA","MW":612.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98753-19-6"}
{"Compound":"Reboxetine mesylate","CAS":"98769-84-7","CAS.Checksum":true,"DTXSID":"DTXSID8045690","Formula":"C20H27NO6S","All.Compound.Names":"Reboxetine mesylate|Dtxsid8045690|98769-84-7","logHenry":-6.453,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2081,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.7,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.841,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.4,"MP.Reference":"EPA-CCD-OPERA","MW":409.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98769-84-7"}
{"Compound":"Tesmilifene","CAS":"98774-23-3","CAS.Checksum":true,"DTXSID":"DTXSID1045661","Formula":"C19H25NO","All.Compound.Names":"Tesmilifene|Dtxsid1045661|98774-23-3","logHenry":-6.004,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.428,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.18,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.09,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.2,"MP.Reference":"EPA-CCD-OPERA","MW":283.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98774-23-3"}
{"Compound":"1-butyl-2,3-dimethylimidazolium chloride","CAS":"98892-75-2","CAS.Checksum":true,"DTXSID":"DTXSID5047906","Formula":"C9H17ClN2","All.Compound.Names":"1-butyl-2,3-dimethylimidazolium chloride|Dtxsid5047906|98892-75-2","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4915,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.275,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.848,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.9,"MP.Reference":"EPA-CCD-OPERA","MW":188.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98892-75-2"}
{"Compound":"1-ethyl-2,3-dimethylimidazolium bromide","CAS":"98892-76-3","CAS.Checksum":true,"DTXSID":"DTXSID8049381","Formula":"C7H15BrN2","All.Compound.Names":"1-ethyl-2,3-dimethylimidazolium bromide|Dtxsid8049381|98892-76-3","logHenry":-4.925,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.376,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.12,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9589,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.5,"MP.Reference":"EPA-CCD-OPERA","MW":207.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98892-76-3"}
{"Compound":"1-piperazinecarbodithioic acid","CAS":"99-00-3","CAS.Checksum":true,"DTXSID":"DTXSID5041279","Formula":"C5H10N2S2","All.Compound.Names":"1-piperazinecarbodithioic acid|Dtxsid5041279|99-00-3","logHenry":-8.407,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4802,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.991,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.967,"logWSol.Reference":"EPA-CCD-OPERA","MP":227.9,"MP.Reference":"EPA-CCD-OPERA","MW":162.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-00-3"}
{"Compound":"3-methylbenzoic acid","CAS":"99-04-7","CAS.Checksum":true,"DTXSID":"DTXSID1021617","Formula":"C8H8O2","All.Compound.Names":"3-methylbenzoic acid|Dtxsid1021617|99-04-7","logHenry":-6.083,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.365,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.105,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.147,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.3,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-04-7"}
{"Compound":"3-hydroxybenzoic acid","CAS":"99-06-9","CAS.Checksum":true,"DTXSID":"DTXSID6021610","Formula":"C7H6O3","All.Compound.Names":"3-hydroxybenzoic acid|Dtxsid6021610|99-06-9","logHenry":-7.925,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.502,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.574,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.277,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.8,"MP.Reference":"EPA-CCD-OPERA","MW":138.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-06-9"}
{"Compound":"3-nitroaniline","CAS":"99-09-2","CAS.Checksum":true,"DTXSID":"DTXSID6025725","Formula":"C6H6N2O2","All.Compound.Names":"3-nitroaniline|Dtxsid6025725|99-09-2","logHenry":-8.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.37,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.145,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.111,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.1,"MP.Reference":"EPA-CCD-OPERA","MW":138.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-09-2"}
{"Compound":"1,3-dimethyl-5-nitrobenzene","CAS":"99-12-7","CAS.Checksum":true,"DTXSID":"DTXSID7025136","Formula":"C8H9NO2","All.Compound.Names":"1,3-dimethyl-5-nitrobenzene|Dtxsid7025136","logHenry":-4.984,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.834,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.751,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.328,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.07,"MP.Reference":"EPA-CCD-OPERA","MW":151.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-12-7"}
{"Compound":"Bismuth subgallate","CAS":"99-26-3","CAS.Checksum":true,"DTXSID":"DTXSID3046588","Formula":"C7H5BiO6","All.Compound.Names":"Bismuth subgallate","MW":394.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-26-3"}
{"Compound":"Adrenone","CAS":"99-45-6","CAS.Checksum":true,"DTXSID":"DTXSID5048710","Formula":"C9H11NO3","All.Compound.Names":"Adrenone|Dtxsid5048710|1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone|99-45-6","logHenry":-10.35,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2502,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.068,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.272,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.6,"MP.Reference":"EPA-CCD-OPERA","MW":181.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.05","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-45-6"}
{"Compound":"Carveol","CAS":"99-48-9","CAS.Checksum":true,"DTXSID":"DTXSID3024736","Formula":"C10H16O","All.Compound.Names":"Carveol|Dtxsid3024736|99-48-9","logHenry":-6.292,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.118,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.249,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.969,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.41,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-48-9"}
{"Compound":"Dl-carvone","CAS":"99-49-0","CAS.Checksum":true,"DTXSID":"DTXSID8047426","Formula":"C10H14O","All.Compound.Names":"Dl-carvone|Dtxsid8047426","logHenry":-3.483,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.362,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.695,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.059,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.782,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-49-0"}
{"Compound":"3,4-dihydroxybenzoic acid","CAS":"99-50-3","CAS.Checksum":true,"DTXSID":"DTXSID4021212","Formula":"C7H6O4","All.Compound.Names":"3,4-dihydroxybenzoic acid|Dtxsid4021212|99-50-3","logHenry":-9.925,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8606,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.031,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.309,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.2,"MP.Reference":"EPA-CCD-OPERA","MW":154.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-50-3"}
{"Compound":"2-methyl-4-nitroaniline","CAS":"99-52-5","CAS.Checksum":true,"DTXSID":"DTXSID3025629","Formula":"C7H8N2O2","All.Compound.Names":"2-methyl-4-nitroaniline|Dtxsid3025629|99-52-5","logHenry":-8.584,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.681,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.884,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.246,"logWSol.Reference":"EPA-CCD-OPERA","MP":133,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-52-5"}
{"Compound":"4-nitro-1,2-phenylenediamine","CAS":"99-56-9","CAS.Checksum":true,"DTXSID":"DTXSID9020958","Formula":"C6H7N3O2","All.Compound.Names":"4-nitro-1,2-phenylenediamine|Dtxsid9020958|99-56-9","logHenry":-8.246,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8801,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.96,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.239,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.3,"MP.Reference":"EPA-CCD-OPERA","MW":153.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-56-9"}
{"Compound":"2-amino-4-nitrophenol","CAS":"99-57-0","CAS.Checksum":true,"DTXSID":"DTXSID6020062","Formula":"C6H6N2O3","All.Compound.Names":"2-amino-4-nitrophenol|Dtxsid6020062|99-57-0","logHenry":-8.237,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.261,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.586,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.222,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.8,"MP.Reference":"EPA-CCD-OPERA","MW":154.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-57-0"}
{"Compound":"3-nitrobenzaldehyde","CAS":"99-61-6","CAS.Checksum":true,"DTXSID":"DTXSID8049383","Formula":"C7H5NO3","All.Compound.Names":"3-nitrobenzaldehyde|Dtxsid8049383|99-61-6","logHenry":-5.514,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.471,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.381,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.969,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.88,"MP.Reference":"EPA-CCD-OPERA","MW":151.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-61-6"}
{"Compound":"1,3-benzenedicarbonyl dichloride","CAS":"99-63-8","CAS.Checksum":true,"DTXSID":"DTXSID3026641","Formula":"C8H4Cl2O2","All.Compound.Names":"1,3-benzenedicarbonyl dichloride|Dtxsid3026641","logHenry":-5.237,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.293,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.526,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.994,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.71,"MP.Reference":"EPA-CCD-OPERA","MW":203,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-63-8"}
{"Compound":"Methyl 4-methylbenzoate","CAS":"99-75-2","CAS.Checksum":true,"DTXSID":"DTXSID4025668","Formula":"C9H10O2","All.Compound.Names":"Methyl 4-methylbenzoate|Dtxsid4025668","logHenry":-7.222,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.699,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.121,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.164,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.76,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-75-2"}
{"Compound":"Alpha-phellandrene","CAS":"99-83-2","CAS.Checksum":true,"DTXSID":"DTXSID4047593","Formula":"C10H16","All.Compound.Names":"Alpha-phellandrene|Dtxsid4047593","logHenry":-1.33,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.235,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2116,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.643,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.61,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-83-2"}
{"Compound":"Gamma-terpinene","CAS":"99-85-4","CAS.Checksum":true,"DTXSID":"DTXSID6041210","Formula":"C10H16","All.Compound.Names":"Gamma-terpinene|Dtxsid6041210","logHenry":-1.589,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.499,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1804,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.195,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.82,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-85-4"}
{"Compound":"Alpha-terpinene","CAS":"99-86-5","CAS.Checksum":true,"DTXSID":"DTXSID9041237","Formula":"C10H16","All.Compound.Names":"Alpha-terpinene|Dtxsid9041237","logHenry":-1.623,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.251,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.06787,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.357,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.82,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-86-5"}
{"Compound":"P-cymene","CAS":"99-87-6","CAS.Checksum":true,"DTXSID":"DTXSID3026645","Formula":"C10H14","All.Compound.Names":"P-cymene|Dtxsid3026645","logHenry":-2.098,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.106,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2033,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.694,"logWSol.Reference":"EPA-CCD-OPERA","MP":-67.98,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-87-6"}
{"Compound":"4-isopropylphenol","CAS":"99-89-8","CAS.Checksum":true,"DTXSID":"DTXSID5042299","Formula":"C9H12O","All.Compound.Names":"4-isopropylphenol|Dtxsid5042299|99-89-8","logHenry":-6.219,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.902,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.609,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.001,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.2,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-89-8"}
{"Compound":"4-hydroxyacetophenone","CAS":"99-93-4","CAS.Checksum":true,"DTXSID":"DTXSID0029133","Formula":"C8H8O2","All.Compound.Names":"4-hydroxyacetophenone|Dtxsid0029133|99-93-4","logHenry":-8.701,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.352,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.429,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.136,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.4,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-93-4"}
{"Compound":"4-methylbenzoic acid","CAS":"99-94-5","CAS.Checksum":true,"DTXSID":"DTXSID6021618","Formula":"C8H8O2","All.Compound.Names":"4-methylbenzoic acid|Dtxsid6021618|99-94-5","logHenry":-6.083,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.27,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.199,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.586,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.8,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-94-5"}
{"Compound":"4-hydroxybenzoic acid","CAS":"99-96-7","CAS.Checksum":true,"DTXSID":"DTXSID3026647","Formula":"C7H6O3","All.Compound.Names":"4-hydroxybenzoic acid|Dtxsid3026647|99-96-7","logHenry":-9.342,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.577,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.498,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.426,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.8,"MP.Reference":"EPA-CCD-OPERA","MW":138.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-96-7"}
{"Compound":"N,n-dimethyl-p-phenylenediamine","CAS":"99-98-9","CAS.Checksum":true,"DTXSID":"DTXSID6025149","Formula":"C8H12N2","All.Compound.Names":"N,n-dimethyl-p-phenylenediamine|Dtxsid6025149|99-98-9","logHenry":-6.56,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.405,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.048,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9856,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.12,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-98-9"}
{"Compound":"Imiquimod","CAS":"99011-02-6","CAS.Checksum":true,"DTXSID":"DTXSID7041047","Formula":"C14H16N4","All.Compound.Names":"Imiquimod|Dtxsid7041047|99011-02-6","logHenry":-6.842,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.867,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.59,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.828,"logWSol.Reference":"EPA-CCD-OPERA","MP":131.8,"MP.Reference":"EPA-CCD-OPERA","MW":240.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99011-02-6"}
{"Compound":"Clethodim","CAS":"99129-21-2","CAS.Checksum":true,"DTXSID":"DTXSID3034458","Formula":"C17H26ClNO3S","All.Compound.Names":"Clethodim|Dtxsid3034458|99129-21-2","logHenry":-9.41,"logHenry.Reference":"OPERA29","logP":4.34,"logP.Reference":"OPERA29","logWSol":-1.83,"logWSol.Reference":"OPERA29","MP":-79,"MP.Reference":"OPERA29","MW":359.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-2.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99129-21-2"}
{"Compound":"Lymecycline","CAS":"992-21-2","CAS.Checksum":true,"DTXSID":"DTXSID9045344","Formula":"C29H38N4O10","All.Compound.Names":"Lymecycline|992-21-2|Dtxsid9045344","logHenry":-10.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6857,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.25,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.395,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.9,"MP.Reference":"EPA-CCD-OPERA","MW":602.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"992-21-2"}
{"Compound":"C.i. direct red 2","CAS":"992-59-6","CAS.Checksum":true,"DTXSID":"DTXSID3025203","Formula":"C34H26N6Na2O6S2","All.Compound.Names":"C.i. direct red 2|Dtxsid3025203|992-59-6","logHenry":-12.16,"logHenry.Reference":"OPERA29","logP":-1.47,"logP.Reference":"OPERA29","logWSol":-1.56,"logWSol.Reference":"OPERA29","MP":290,"MP.Reference":"OPERA29","MW":724.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"992-59-6"}
{"Compound":"Trichloromethylstannane","CAS":"993-16-8","CAS.Checksum":true,"DTXSID":"DTXSID1027346","Formula":"CH3Cl3Sn","All.Compound.Names":"Trichloromethylstannane","MW":240.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"993-16-8"}
{"Compound":"Venlafaxine hydrochloride","CAS":"99300-78-4","CAS.Checksum":true,"DTXSID":"DTXSID8047397","Formula":"C17H28ClNO2","All.Compound.Names":"Venlafaxine hydrochloride|Dtxsid8047397|99300-78-4","logHenry":-5.682,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.431,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.14,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.901,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.7,"MP.Reference":"EPA-CCD-OPERA","MW":313.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99300-78-4"}
{"Compound":"Tert-amyl methyl ether","CAS":"994-05-8","CAS.Checksum":true,"DTXSID":"DTXSID8024521","Formula":"C6H14O","All.Compound.Names":"Tert-amyl methyl ether|Dtxsid8024521","logHenry":-2.877,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.734,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.405,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.133,"logWSol.Reference":"EPA-CCD-OPERA","MP":-96.5,"MP.Reference":"EPA-CCD-OPERA","MW":102.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10.6","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.8097","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"10.6","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.4659","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"994-05-8"}
{"Compound":"Triethylgermanium chloride","CAS":"994-28-5","CAS.Checksum":true,"DTXSID":"DTXSID3049382","Formula":"C6H15ClGe","All.Compound.Names":"Triethylgermanium chloride","MW":195.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"994-28-5"}
{"Compound":"Ampiroxicam","CAS":"99464-64-9","CAS.Checksum":true,"DTXSID":"DTXSID6046474","Formula":"C20H21N3O7S","All.Compound.Names":"Ampiroxicam|99464-64-9|Dtxsid6046474","logHenry":-10.47,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.915,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.349,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.258,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.8,"MP.Reference":"EPA-CCD-OPERA","MW":447.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"99464-64-9"}
{"Compound":"Sertaconazole nitrate","CAS":"99592-39-9","CAS.Checksum":true,"DTXSID":"DTXSID2045529","Formula":"C20H16Cl3N3O4S","All.Compound.Names":"Sertaconazole nitrate|Dtxsid2045529|99592-39-9","logHenry":-5.467,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.04,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.64,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.543,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.9,"MP.Reference":"EPA-CCD-OPERA","MW":500.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99592-39-9"}
{"Compound":"Aminoguanidine hemisulfate","CAS":"996-19-0","CAS.Checksum":true,"DTXSID":"DTXSID0046016","Formula":"C2H14N8O4S","All.Compound.Names":"Aminoguanidine hemisulfate|Dtxsid0046016|996-19-0","logHenry":-8.275,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7986,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.183,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.191,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.8,"MP.Reference":"EPA-CCD-OPERA","MW":246.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"996-19-0"}
{"Compound":"Dimethylisopropylamine","CAS":"996-35-0","CAS.Checksum":true,"DTXSID":"DTXSID2033447","Formula":"C5H13N","All.Compound.Names":"Dimethylisopropylamine|N,n-dimethylisopropylamine|Dtxsid2033447|996-35-0","logHenry":-4.181,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.297,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.371,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.051,"logWSol.Reference":"EPA-CCD-OPERA","MP":-148.1,"MP.Reference":"EPA-CCD-OPERA","MW":87.17,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"996-35-0"}
{"Compound":"Zacopride hydrochloride","CAS":"99617-34-2","CAS.Checksum":true,"DTXSID":"DTXSID4045686","Formula":"C15H21Cl2N3O2","All.Compound.Names":"Zacopride hydrochloride|Dtxsid4045686|99617-34-2","logHenry":-9.702,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6017,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.747,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.757,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.9,"MP.Reference":"EPA-CCD-OPERA","MW":346.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99617-34-2"}
{"Compound":"Tributylphosphine","CAS":"998-40-3","CAS.Checksum":true,"DTXSID":"DTXSID9046998","Formula":"C12H27P","All.Compound.Names":"Tributylphosphine|Dtxsid9046998","logHenry":-1.18,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.498,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9497,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.766,"logWSol.Reference":"EPA-CCD-OPERA","MP":-62.82,"MP.Reference":"EPA-CCD-OPERA","MW":202.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"998-40-3"}
{"Compound":"Diprop-2-en-1-yl (2z)-but-2-enedioate","CAS":"999-21-3","CAS.Checksum":true,"DTXSID":"DTXSID3044752","Formula":"C10H12O4","All.Compound.Names":"Diprop-2-en-1-yl (2z)-but-2-enedioate|Dtxsid3044752","logHenry":-6.768,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.464,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.235,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.721,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.02,"MP.Reference":"EPA-CCD-OPERA","MW":196.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"999-21-3"}
{"Compound":"Chlormequat chloride","CAS":"999-81-5","CAS.Checksum":true,"DTXSID":"DTXSID6020303","Formula":"C5H13Cl2N","All.Compound.Names":"Chlormequat chloride|Dtxsid6020303|999-81-5","logHenry":-2.574,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.798,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.991,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7453,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.9,"MP.Reference":"EPA-CCD-OPERA","MW":158.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"999-81-5"}
{"Compound":"Hexamethyldisilazane","CAS":"999-97-3","CAS.Checksum":true,"DTXSID":"DTXSID2025395","Formula":"C6H19NSi2","All.Compound.Names":"Hexamethyldisilazane|Dtxsid2025395|999-97-3","logHenry":-0.8008,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.16,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4111,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.75,"logWSol.Reference":"EPA-CCD-OPERA","MP":-49.16,"MP.Reference":"EPA-CCD-OPERA","MW":161.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"999-97-3"}
{"Compound":"Chromic oxide pigment","CAS":"NOCAS_20326","CAS.Checksum":false,"DTXSID":"DTXSID9020326","All.Compound.Names":"Chromic oxide pigment","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_20326"}
{"Compound":"Chlorinated paraffins:c12, 60% chlorine","CAS":"NOCAS_24824","CAS.Checksum":false,"DTXSID":"DTXSID2024824","All.Compound.Names":"Chlorinated paraffins:c12, 60% chlorine|Chlorinated paraffins (c12, 60% chlorine)","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_24824"}
{"Compound":"Tert-butyl hydroperoxide (70% solution in water)","CAS":"NOCAS_31209","CAS.Checksum":false,"DTXSID":"DTXSID6031209","All.Compound.Names":"Tert-butyl hydroperoxide (70% solution in water)","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_31209"}
{"Compound":"Chlorowax 500c","CAS":"NOCAS_33326","CAS.Checksum":false,"DTXSID":"DTXSID6033326","All.Compound.Names":"Chlorowax 500c","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_33326"}
{"Compound":"Milbemectin (mixture of 70% milbemcin a4, 30% milbemycin a3)","CAS":"NOCAS_34742","CAS.Checksum":false,"DTXSID":"DTXSID8034742","All.Compound.Names":"Milbemectin (mixture of 70% milbemcin a4, 30% milbemycin a3)","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_34742"}
{"Compound":"Adriamycin hydrochloride-dna complex","CAS":"NOCAS_45111","CAS.Checksum":false,"DTXSID":"DTXSID6045111","All.Compound.Names":"Adriamycin hydrochloride-dna complex","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_45111"}
{"Compound":"Tracazolate hydrochloride","CAS":"NOCAS_45208","CAS.Checksum":false,"DTXSID":"DTXSID0045208","Formula":"C16H25ClN4O2","All.Compound.Names":"Tracazolate hydrochloride|Dtxsid0045208|NOCAS_45208","logHenry":-9.371,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.394,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.865,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.786,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.2,"MP.Reference":"EPA-CCD-OPERA","MW":340.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_45208"}
{"Compound":"Loreclezole hydrochloride","CAS":"NOCAS_45676","CAS.Checksum":false,"DTXSID":"DTXSID0045676","Formula":"C10H7Cl4N3","All.Compound.Names":"Loreclezole hydrochloride|Dtxsid0045676|NOCAS_45676","logHenry":-7.465,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2614,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.746,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.96,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.87,"MP.Reference":"EPA-CCD-OPERA","MW":311,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_45676"}
{"Compound":"Itriglumide sodium","CAS":"NOCAS_45775","CAS.Checksum":false,"DTXSID":"DTXSID8045775","Formula":"C33H37N2NaO4","All.Compound.Names":"Itriglumide sodium|Dtxsid8045775|NOCAS_45775","logHenry":-10.97,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.627,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.1,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.004,"logWSol.Reference":"EPA-CCD-OPERA","MP":214.5,"MP.Reference":"EPA-CCD-OPERA","MW":548.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_45775"}
{"Compound":"Carvedilol tartrate","CAS":"NOCAS_45916","CAS.Checksum":false,"DTXSID":"DTXSID5045916","Formula":"C28H32N2O10","All.Compound.Names":"Carvedilol tartrate|Dtxsid5045916|NOCAS_45916","logHenry":-9.988,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7886,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.627,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.739,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.3,"MP.Reference":"EPA-CCD-OPERA","MW":556.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_45916"}
{"Compound":"Oseltamivir tartrate","CAS":"NOCAS_45954","CAS.Checksum":false,"DTXSID":"DTXSID1045954","Formula":"C20H34N2O10","All.Compound.Names":"Oseltamivir tartrate|Dtxsid1045954|NOCAS_45954","logHenry":-10.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7879,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.451,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.722,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.7,"MP.Reference":"EPA-CCD-OPERA","MW":462.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_45954"}
{"Compound":"Allococaine hydrochloride","CAS":"NOCAS_46063","CAS.Checksum":false,"DTXSID":"DTXSID5046063","Formula":"C17H22ClNO4","All.Compound.Names":"Allococaine hydrochloride|Dtxsid5046063|NOCAS_46063","logHenry":-7.644,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4255,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.086,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.242,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.1,"MP.Reference":"EPA-CCD-OPERA","MW":339.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.78","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_46063"}
{"Compound":"Alpha-l-lyxo-hex-5-ulofuranosyl alpha-d-glucopyranoside","CAS":"NOCAS_46224","CAS.Checksum":false,"DTXSID":"DTXSID0046224","Formula":"C11H20O11","All.Compound.Names":"Alpha-l-lyxo-hex-5-ulofuranosyl alpha-d-glucopyranoside|Dtxsid0046224|NOCAS_46224","logHenry":-10.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.313,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.88,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.0017,"logWSol.Reference":"EPA-CCD-OPERA","MP":174,"MP.Reference":"EPA-CCD-OPERA","MW":328.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_46224"}
{"Compound":"Polyethylene glycol (20) hexadecyl ether","CAS":"NOCAS_46708","CAS.Checksum":false,"DTXSID":"DTXSID7046708","Formula":"C56H114O21","All.Compound.Names":"Polyethylene glycol (20) hexadecyl ether|Dtxsid7046708|NOCAS_46708","logHenry":-7.761,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.364,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.433,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.896,"logWSol.Reference":"EPA-CCD-OPERA","MP":125.7,"MP.Reference":"EPA-CCD-OPERA","MW":1124,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_46708"}
{"Compound":"Cefuzonam hydrochloride","CAS":"NOCAS_46800","CAS.Checksum":false,"DTXSID":"DTXSID0046800","Formula":"C16H16ClN7O5S4","All.Compound.Names":"Cefuzonam hydrochloride|Dtxsid0046800|NOCAS_46800","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1893,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.312,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.214,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.3,"MP.Reference":"EPA-CCD-OPERA","MW":550,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.03","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_46800"}
{"Compound":"Strychinine benzyl chloride","CAS":"NOCAS_46830","CAS.Checksum":false,"DTXSID":"DTXSID2046830","Formula":"C28H29ClN2O2","All.Compound.Names":"Strychinine benzyl chloride|Strychnine benzyl chloride","MW":461,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_46830"}
{"Compound":"Ocimene-limonene mixture","CAS":"NOCAS_47051","CAS.Checksum":false,"DTXSID":"DTXSID3047051","All.Compound.Names":"Ocimene-limonene mixture","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47051"}
{"Compound":"Methyl geranate","CAS":"NOCAS_47129","CAS.Checksum":false,"DTXSID":"DTXSID4047129","Formula":"C11H18O2","All.Compound.Names":"Methyl geranate|Dtxsid4047129","logHenry":-6.01,"logHenry.Reference":"OPERA29","logP":4.03,"logP.Reference":"OPERA29","logPwa":1.982,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.52,"logWSol.Reference":"OPERA29","MP":-46,"MP.Reference":"OPERA29","MW":182.1,"MW.Reference":"OPERA29","All.Species":"Human","DTXSID.Reference":"OPERA29","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47129"}
{"Compound":"Sodium bisulfite, mixture of nahso3 and na2s2o5","CAS":"NOCAS_47218","CAS.Checksum":true,"DTXSID":"DTXSID8047218","All.Compound.Names":"Sodium bisulfite, mixture of nahso3 and na2s2o5","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47218"}
{"Compound":"Ci-1018","CAS":"NOCAS_47248","CAS.Checksum":true,"DTXSID":"DTXSID0047248","Formula":"C24H20N4O2","All.Compound.Names":"Ci-1018|Dtxsid0047248|NOCAS_47248","logHenry":-9.358,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.281,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.937,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.998,"logWSol.Reference":"EPA-CCD-OPERA","MP":149,"MP.Reference":"EPA-CCD-OPERA","MW":396.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47248"}
{"Compound":"Cp-465394","CAS":"NOCAS_47255","CAS.Checksum":false,"DTXSID":"DTXSID9047255","Formula":"C20H27N2NaO5S","All.Compound.Names":"Cp-465394|Dtxsid9047255|NOCAS_47255","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.409,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.943,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.532,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.4,"MP.Reference":"EPA-CCD-OPERA","MW":430.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47255"}
{"Compound":"Cp-471358","CAS":"NOCAS_47265","CAS.Checksum":false,"DTXSID":"DTXSID3047265","Formula":"C21H23FN2O7S","All.Compound.Names":"Cp-471358|Dtxsid3047265|NOCAS_47265","logHenry":-11.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.834,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.555,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.012,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.6,"MP.Reference":"EPA-CCD-OPERA","MW":466.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47265"}
{"Compound":"Cp-642931","CAS":"NOCAS_47267","CAS.Checksum":false,"DTXSID":"DTXSID3047267","Formula":"C17H25N7O","All.Compound.Names":"Cp-642931|Dtxsid3047267|NOCAS_47267","logHenry":-6.279,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.511,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.828,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.578,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.4,"MP.Reference":"EPA-CCD-OPERA","MW":343.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47267"}
{"Compound":"Cp-422935","CAS":"NOCAS_47299","CAS.Checksum":false,"DTXSID":"DTXSID5047299","Formula":"C26H38N2O4S","All.Compound.Names":"Cp-422935|Dtxsid5047299|NOCAS_47299","logHenry":-5.45,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5593,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.14,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.088,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.9,"MP.Reference":"EPA-CCD-OPERA","MW":474.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47299"}
{"Compound":"Cp-608039","CAS":"NOCAS_47305","CAS.Checksum":false,"DTXSID":"DTXSID2047305","Formula":"C23H25ClN8O5","All.Compound.Names":"Cp-608039|Dtxsid2047305|NOCAS_47305","logHenry":-10.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.05498,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.448,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.149,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.1,"MP.Reference":"EPA-CCD-OPERA","MW":529,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.81","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47305"}
{"Compound":"Gsk163929b","CAS":"NOCAS_47311","CAS.Checksum":false,"DTXSID":"DTXSID6047311","Formula":"C36H40ClF2N5O3S","All.Compound.Names":"Gsk163929b|Dtxsid6047311|NOCAS_47311","logHenry":-11.1,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.415,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.966,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.804,"logWSol.Reference":"EPA-CCD-OPERA","MP":201,"MP.Reference":"EPA-CCD-OPERA","MW":696.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47311"}
{"Compound":"Sb413217a","CAS":"NOCAS_47325","CAS.Checksum":false,"DTXSID":"DTXSID0047325","Formula":"C30H36ClFN4O2","All.Compound.Names":"Sb413217a|Dtxsid0047325|NOCAS_47325","logHenry":-7.509,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.491,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.679,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.095,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.9,"MP.Reference":"EPA-CCD-OPERA","MW":539.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47325"}
{"Compound":"Mk-274","CAS":"NOCAS_47328","CAS.Checksum":false,"DTXSID":"DTXSID5047328","Formula":"C18H13F6KN4O3","All.Compound.Names":"Mk-274|Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1)|Dtxsid5047328|NOCAS_47328","logHenry":-8.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.724,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.669,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.844,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.3,"MP.Reference":"EPA-CCD-OPERA","MW":486.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"NOCAS_47328"}
{"Compound":"Pharmagsid_47330","CAS":"NOCAS_47330","CAS.Checksum":false,"DTXSID":"DTXSID9047330","Formula":"C21H15F2N5O","All.Compound.Names":"Pharmagsid_47330|Dtxsid9047330|NOCAS_47330","logHenry":-7.154,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.974,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.311,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.295,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.4,"MP.Reference":"EPA-CCD-OPERA","MW":391.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47330"}
{"Compound":"Pharmagsid_47333","CAS":"NOCAS_47333","CAS.Checksum":false,"DTXSID":"DTXSID4047333","Formula":"C22H30N4O2","All.Compound.Names":"Pharmagsid_47333|Dtxsid4047333|NOCAS_47333","logHenry":-7.755,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.106,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.478,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.373,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.5,"MP.Reference":"EPA-CCD-OPERA","MW":382.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47333"}
{"Compound":"Mk-968","CAS":"NOCAS_47334","CAS.Checksum":false,"DTXSID":"DTXSID9047334","Formula":"C19H21F2N5O","All.Compound.Names":"Mk-968|Dtxsid9047334|NOCAS_47334","logHenry":-7.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.608,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.922,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.47,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.1,"MP.Reference":"EPA-CCD-OPERA","MW":373.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47334"}
{"Compound":"Sr125047","CAS":"NOCAS_47342","CAS.Checksum":false,"DTXSID":"DTXSID3047342","Formula":"C22H27Cl2NO","All.Compound.Names":"Sr125047|Dtxsid3047342|NOCAS_47342","logHenry":-6.087,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.4,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.36,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.602,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.9,"MP.Reference":"EPA-CCD-OPERA","MW":392.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"11.04","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47342"}
{"Compound":"Ave8488","CAS":"NOCAS_47349","CAS.Checksum":true,"DTXSID":"DTXSID8047349","Formula":"C23H25ClFN3O4","All.Compound.Names":"Ave8488|Dtxsid8047349|NOCAS_47349","logHenry":-6.769,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.836,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.449,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.578,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.3,"MP.Reference":"EPA-CCD-OPERA","MW":461.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47349"}
{"Compound":"Ssr150106","CAS":"NOCAS_47362","CAS.Checksum":false,"DTXSID":"DTXSID1047362","Formula":"C17H17NO3","All.Compound.Names":"Ssr150106|Dtxsid1047362|NOCAS_47362","logHenry":-9.609,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.137,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.728,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.092,"logWSol.Reference":"EPA-CCD-OPERA","MP":111.4,"MP.Reference":"EPA-CCD-OPERA","MW":283.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47362"}
{"Compound":"Sar115740","CAS":"NOCAS_47366","CAS.Checksum":false,"DTXSID":"DTXSID1047366","Formula":"C24H17F2N3O","All.Compound.Names":"Sar115740|Dtxsid1047366|NOCAS_47366","logHenry":-8.269,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.187,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.474,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.566,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.4,"MP.Reference":"EPA-CCD-OPERA","MW":401.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47366"}
{"Compound":"Ave6324","CAS":"NOCAS_47377","CAS.Checksum":false,"DTXSID":"DTXSID0047377","Formula":"C31H36Cl2N4O7S","All.Compound.Names":"Ave6324|Dtxsid0047377|NOCAS_47377","logHenry":-7.861,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.231,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.148,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.005,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.4,"MP.Reference":"EPA-CCD-OPERA","MW":679.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47377"}
{"Compound":"Ave8923","CAS":"NOCAS_47381","CAS.Checksum":false,"DTXSID":"DTXSID4047381","Formula":"C21H27BrClFN2O2S","All.Compound.Names":"Ave8923|Dtxsid4047381|NOCAS_47381","logHenry":-9.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.02,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.262,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.767,"logWSol.Reference":"EPA-CCD-OPERA","MP":191.5,"MP.Reference":"EPA-CCD-OPERA","MW":505.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47381"}
{"Compound":"Sar377142","CAS":"NOCAS_47385","CAS.Checksum":false,"DTXSID":"DTXSID4047385","Formula":"C28H37ClN6O6","All.Compound.Names":"Sar377142|Dtxsid4047385|NOCAS_47385","logHenry":-11.07,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9465,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.785,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.214,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.3,"MP.Reference":"EPA-CCD-OPERA","MW":589.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47385"}
{"Compound":"Sar102779","CAS":"NOCAS_47387","CAS.Checksum":false,"DTXSID":"DTXSID4047387","Formula":"C35H38Cl2FN3O7","All.Compound.Names":"Sar102779|Dtxsid4047387|NOCAS_47387","logHenry":-7.456,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.696,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.872,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.593,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.4,"MP.Reference":"EPA-CCD-OPERA","MW":702.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47387"}
{"Compound":"Grinstad soft-n-safe","CAS":"NOCAS_47394","CAS.Checksum":false,"DTXSID":"DTXSID3047394","All.Compound.Names":"Grinstad soft-n-safe","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47394"}
{"Compound":"Igepal co-890","CAS":"NOCAS_47708","CAS.Checksum":false,"DTXSID":"DTXSID9047708","All.Compound.Names":"Igepal co-890","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47708"}
{"Compound":"Formalin","CAS":"NOCAS_47796","CAS.Checksum":false,"DTXSID":"DTXSID5047796","All.Compound.Names":"Formalin","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47796"}
{"Compound":"Trimetrexate trihydrochloride","CAS":"NOCAS_47817","CAS.Checksum":false,"DTXSID":"DTXSID1047817","Formula":"C19H26Cl3N5O3","All.Compound.Names":"Trimetrexate trihydrochloride|Dtxsid1047817|NOCAS_47817","logHenry":-9.896,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9301,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.462,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.377,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.7,"MP.Reference":"EPA-CCD-OPERA","MW":478.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47817"}
{"Compound":"Levamisole resinate","CAS":"NOCAS_47831","CAS.Checksum":false,"DTXSID":"DTXSID9047831","All.Compound.Names":"Levamisole resinate","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47831"}
{"Compound":"Pharmagsid_48172","CAS":"NOCAS_48172","CAS.Checksum":false,"DTXSID":"DTXSID1048172","Formula":"C27H28N4O7S","All.Compound.Names":"Pharmagsid_48172|Dtxsid1048172|NOCAS_48172","logHenry":-7.605,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6762,"logP.Reference":"EPA-CCD-OPERA","logPwa":11,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.542,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.1,"MP.Reference":"EPA-CCD-OPERA","MW":552.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_48172"}
{"Compound":"Pharmagsid_48507","CAS":"NOCAS_48507","CAS.Checksum":false,"DTXSID":"DTXSID0048507","Formula":"C18H19ClF2N4O3","All.Compound.Names":"Pharmagsid_48507|Dtxsid0048507|NOCAS_48507","logHenry":-10.35,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1915,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.081,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.963,"logWSol.Reference":"EPA-CCD-OPERA","MP":238.1,"MP.Reference":"EPA-CCD-OPERA","MW":412.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_48507"}
{"Compound":"Pharmagsid_48509","CAS":"NOCAS_48509","CAS.Checksum":false,"DTXSID":"DTXSID0048509","Formula":"C25H39N3O2","All.Compound.Names":"Pharmagsid_48509|Dtxsid0048509|NOCAS_48509","logHenry":-7.729,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.277,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.012,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.14,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.5,"MP.Reference":"EPA-CCD-OPERA","MW":413.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_48509"}
{"Compound":"Pharmagsid_48514","CAS":"NOCAS_48514","CAS.Checksum":false,"DTXSID":"DTXSID9048514","Formula":"C17H15ClNNaO4S","All.Compound.Names":"Pharmagsid_48514|Dtxsid9048514|NOCAS_48514","logHenry":-9.104,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.509,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.989,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.522,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.2,"MP.Reference":"EPA-CCD-OPERA","MW":387.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_48514"}
{"Compound":"Pharmagsid_48516","CAS":"NOCAS_48516","CAS.Checksum":false,"DTXSID":"DTXSID9048516","Formula":"C15H10ClFNNaO3S","All.Compound.Names":"Pharmagsid_48516|Dtxsid9048516|NOCAS_48516","logHenry":-8.355,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.036,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.903,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.705,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.3,"MP.Reference":"EPA-CCD-OPERA","MW":361.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_48516"}
{"Compound":"Pharmagsid_48518","CAS":"NOCAS_48518","CAS.Checksum":false,"DTXSID":"DTXSID9048518","Formula":"C13H9BrFNO3S2","All.Compound.Names":"Pharmagsid_48518|Dtxsid9048518|NOCAS_48518","logHenry":-8.337,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.731,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.027,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.454,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.3,"MP.Reference":"EPA-CCD-OPERA","MW":390.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_48518"}
{"Compound":"Hmr1171 trifluoroacetate (1:1)","CAS":"NOCAS_48522","CAS.Checksum":false,"DTXSID":"DTXSID3048522","Formula":"C37H49F3N4O5S","All.Compound.Names":"Hmr1171 trifluoroacetate (1:1)|Dtxsid3048522|NOCAS_48522","logHenry":-7.362,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6727,"logP.Reference":"EPA-CCD-OPERA","logPwa":11,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.352,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.3,"MP.Reference":"EPA-CCD-OPERA","MW":718.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_48522"}
{"Compound":"Phentoloxamine pas","CAS":"NOCAS_48767","CAS.Checksum":false,"DTXSID":"DTXSID0048767","Formula":"C24H28N2O4","All.Compound.Names":"Phentoloxamine pas","MW":408.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_48767"}
{"Compound":"{4-[4-(acetylamino)-2-oxopyrimidin-1(2h)-yl]-1,3-dioxolan-2-yl}methyl benzoate","CAS":"NOCAS_48792","CAS.Checksum":false,"DTXSID":"DTXSID7048792","Formula":"C17H17N3O6","All.Compound.Names":"{4-[4-(acetylamino)-2-oxopyrimidin-1(2h)-yl]-1,3-dioxolan-2-yl}methyl benzoate|Dtxsid7048792|NOCAS_48792","logHenry":-10.72,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9894,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.387,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.394,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.4,"MP.Reference":"EPA-CCD-OPERA","MW":359.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_48792"}
{"Compound":"N,n-diethyltryptamine fumarate","CAS":"NOCAS_48895","CAS.Checksum":false,"DTXSID":"DTXSID5048895","Formula":"C32H44N4O4","All.Compound.Names":"N,n-diethyltryptamine fumarate|Dtxsid5048895|NOCAS_48895","logHenry":-6.182,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6696,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.255,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.855,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.1,"MP.Reference":"EPA-CCD-OPERA","MW":548.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_48895"}
{"Compound":"Cis-permethrin in cyclohexane","CAS":"NOCAS_52866","CAS.Checksum":false,"DTXSID":"DTXSID7052866","All.Compound.Names":"Cis-permethrin in cyclohexane","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_52866"}
{"Compound":"Lotrafiban (isomer-ii)","CAS":"NOCAS_57603","CAS.Checksum":false,"DTXSID":"DTXSID2057603","Formula":"C23H32N4O4","All.Compound.Names":"Lotrafiban (isomer-ii)|R-lotrafiban|Dtxsid2057603|NOCAS_57603","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.366,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.057,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.525,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.1,"MP.Reference":"EPA-CCD-OPERA","MW":428.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.87","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_57603"}
{"Compound":"C.i.disperse yellow 42","CAS":"5124-25-4","CAS.Checksum":true,"DTXSID":"DTXSID8052148","Formula":"C18H15N3O4S","All.Compound.Names":"C.i.disperse yellow 42|Dtxsid8052148|5124-25-4","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.599,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.953,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.269,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.1,"MP.Reference":"EPA-CCD-OPERA","MW":369.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"109.1","Human.Clint.Reference":"Paini 2020","Human.Funbound.plasma":"0,0,0","Human.Funbound.plasma.Reference":"Paini 2020","Chemical.Class":"","_row":"5124-25-4"}
{"Compound":"2-pentenoic acid","CAS":"13991-37-2","CAS.Checksum":true,"DTXSID":"DTXSID30893700","Formula":"C5H8O2","All.Compound.Names":"2-pentenoic acid|(2e)-2-pentenoic acid|Dtxsid30893700|13991-37-2","logHenry":-6.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8924,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.329,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2057,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.6,"MP.Reference":"EPA-CCD-OPERA","MW":100.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.121","Human.Clint.Reference":"Paini 2020","Chemical.Class":"","_row":"13991-37-2"}
{"Compound":"1,1,1,2-tetrafluoroethane","CAS":"811-97-2","CAS.Checksum":true,"DTXSID":"DTXSID1021324","Formula":"C2H2F4","All.Compound.Names":"1,1,1,2-tetrafluoroethane|Dtxsid1021324","logHenry":-1.301,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8297,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.7933,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.922,"logWSol.Reference":"EPA-CCD-OPERA","MP":-101,"MP.Reference":"EPA-CCD-OPERA","MW":102,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.101","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.8572","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"0.5474","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.5696","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"PFAS","_row":"811-97-2"}
{"Compound":"1,3-butadiene","CAS":"106-99-0","CAS.Checksum":true,"DTXSID":"DTXSID3020203","Formula":"C4H6","All.Compound.Names":"1,3-butadiene|Dtxsid3020203","logHenry":-1.384,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.989,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.01305,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.867,"logWSol.Reference":"EPA-CCD-OPERA","MP":-109.3,"MP.Reference":"EPA-CCD-OPERA","MW":54.09,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"23.89","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.5027","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"37.19","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.3548","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"106-99-0"}
{"Compound":"2,2-dichloro-1,1,1-trifluoroethane","CAS":"306-83-2","CAS.Checksum":true,"DTXSID":"DTXSID7020712","Formula":"C2HCl2F3","All.Compound.Names":"2,2-dichloro-1,1,1-trifluoroethane|Dtxsid7020712","logHenry":-1.591,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.181,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.00542,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.861,"logWSol.Reference":"EPA-CCD-OPERA","MP":-106.9,"MP.Reference":"EPA-CCD-OPERA","MW":152.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"51.48","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.5388","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"51.48","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.1182","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"306-83-2"}
{"Compound":"2h-perfluoropropane","CAS":"431-89-0","CAS.Checksum":true,"DTXSID":"DTXSID4042048","Formula":"C3HF7","All.Compound.Names":"2h-perfluoropropane|Dtxsid4042048","logHenry":-1.163,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.849,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.911,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.962,"logWSol.Reference":"EPA-CCD-OPERA","MP":-127.8,"MP.Reference":"EPA-CCD-OPERA","MW":170,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.048","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.4582","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"27.37","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.2092","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"PFAS","_row":"431-89-0"}
{"Compound":"Bromotrifluoromethane","CAS":"75-63-8","CAS.Checksum":true,"DTXSID":"DTXSID5026415","Formula":"CBrF3","All.Compound.Names":"Bromotrifluoromethane|Dtxsid5026415","logHenry":-0.3026,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.86,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.339,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.669,"logWSol.Reference":"EPA-CCD-OPERA","MP":-169.9,"MP.Reference":"EPA-CCD-OPERA","MW":148.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.048","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.838","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"27.37","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.6142","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"75-63-8"}
{"Compound":"Dichlorodifluoromethane","CAS":"75-71-8","CAS.Checksum":true,"DTXSID":"DTXSID6020436","Formula":"CCl2F2","All.Compound.Names":"Dichlorodifluoromethane|Dtxsid6020436","logHenry":-0.4642,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.16,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8476,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.42,"logWSol.Reference":"EPA-CCD-OPERA","MP":-157.8,"MP.Reference":"EPA-CCD-OPERA","MW":120.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.2524","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.773","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"1.369","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.411","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"75-71-8"}
{"Compound":"Vinyl chloride","CAS":"75-01-4","CAS.Checksum":true,"DTXSID":"DTXSID8021434","Formula":"C2H3Cl","All.Compound.Names":"Vinyl chloride|Dtxsid8021434","logHenry":-1.563,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.619,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3443,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.106,"logWSol.Reference":"EPA-CCD-OPERA","MP":-153.3,"MP.Reference":"EPA-CCD-OPERA","MW":62.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"147.3","Human.Clint.Reference":"Linakis 2020","Human.Funbound.plasma":"0.5924","Human.Funbound.plasma.Reference":"Linakis 2020","Rat.Clint":"147.3","Rat.Clint.Reference":"Linakis 2020","Rat.Funbound.plasma":"0.4183","Rat.Funbound.plasma.Reference":"Linakis 2020","Chemical.Class":"","_row":"75-01-4"}
{"Compound":"Pha-00666859","CAS":"NOCAS_57875","CAS.Checksum":false,"DTXSID":"DTXSID6057875","Formula":"C20H19ClFN5O2","All.Compound.Names":"Pha-00666859|Dtxsid6057875|NOCAS_57875","logHenry":-9.414,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9997,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.556,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.156,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.2,"MP.Reference":"EPA-CCD-OPERA","MW":415.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"NOCAS_57875"}
{"Compound":"Taselisib","CAS":"1282512-48-4","CAS.Checksum":true,"DTXSID":"DTXSID00155842","Formula":"C24H28N8O2","All.Compound.Names":"Taselisib|Dtxsid00155842|1282512-48-4","logHenry":-9.008,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.145,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.05,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.803,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.7,"MP.Reference":"EPA-CCD-OPERA","MW":460.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.385","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1282512-48-4"}
{"Compound":"Milveterol","CAS":"652990-07-3","CAS.Checksum":true,"DTXSID":"DTXSID30215640","Formula":"C25H29N3O4","All.Compound.Names":"Milveterol|Dtxsid30215640|652990-07-3","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.257,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.279,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.354,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.5,"MP.Reference":"EPA-CCD-OPERA","MW":435.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.43","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"652990-07-3"}
{"Compound":"Cyclohexanol, 2-?[(dimethylamino)?methyl]?-?1-?(3-?methoxyphenyl)?-","CAS":"2914-77-4","CAS.Checksum":true,"DTXSID":"DTXSID00860388","Formula":"C16H25NO2","All.Compound.Names":"Cyclohexanol, 2-?[(dimethylamino)?methyl]?-?1-?(3-?methoxyphenyl)?-|Dtxsid00860388|2914-77-4","logHenry":-5.952,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.512,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.425,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.053,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.7,"MP.Reference":"EPA-CCD-OPERA","MW":263.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.432","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"2914-77-4"}
{"Compound":"(1r,2r)-2-({bis[(~2~h_3_)methyl]amino}methyl)-1-(3-methoxyphenyl)cyclohexan-1-ol","CAS":"1109217-85-7","CAS.Checksum":true,"DTXSID":"DTXSID80648969","Formula":"C16H19D6NO2","All.Compound.Names":"(1r,2r)-2-({bis[(~2~h_3_)methyl]amino}methyl)-1-(3-methoxyphenyl)cyclohexan-1-ol|Dtxsid80648969|1109217-85-7","logHenry":-5.952,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.512,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.425,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.053,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.7,"MP.Reference":"EPA-CCD-OPERA","MW":269.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.627","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1109217-85-7"}
{"Compound":"N-(4-fluorophenyl)prop-2-enamide","CAS":"60252-77-9","CAS.Checksum":true,"DTXSID":"DTXSID30390643","Formula":"C9H8FNO","All.Compound.Names":"N-(4-fluorophenyl)prop-2-enamide|Dtxsid30390643|60252-77-9","logHenry":-8.645,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.459,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.003,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.766,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.5,"MP.Reference":"EPA-CCD-OPERA","MW":165.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"60252-77-9"}
{"Compound":"Ph 797804","CAS":"586379-66-0","CAS.Checksum":true,"DTXSID":"DTXSID70207342","Formula":"C22H19BrF2N2O3","All.Compound.Names":"Ph 797804|Dtxsid70207342|586379-66-0","logHenry":-8.126,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.414,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.81,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.86,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.3,"MP.Reference":"EPA-CCD-OPERA","MW":477.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"15.9,7.06,35.8","Human.Caco2.Pab.Reference":"ChEMBL","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"586379-66-0"}
{"Compound":"6-{5-[(cyclopropylimino)(hydroxy)methyl]-3-fluoro-2-methylphenyl}-n-(2,2-dimethylpropyl)pyridine-3-carboximidic acid","CAS":"585543-15-3","CAS.Checksum":true,"DTXSID":"DTXSID30974109","Formula":"C22H26FN3O2","All.Compound.Names":"6-{5-[(cyclopropylimino)(hydroxy)methyl]-3-fluoro-2-methylphenyl}-n-(2,2-dimethylpropyl)pyridine-3-carboximidic acid|Losmapimod|Dtxsid30974109|585543-15-3","logHenry":-9.369,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.564,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.832,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.224,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.6,"MP.Reference":"EPA-CCD-OPERA","MW":383.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.8","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"585543-15-3"}
{"Compound":"N-({4-[(4,4-dimethylcyclohexyl)oxy]-5-fluoro-2-methoxyphenyl}methyl)-l-prolinamide","CAS":"1224048-09-2","CAS.Checksum":true,"DTXSID":"DTXSID80676308","Formula":"C21H31FN2O3","All.Compound.Names":"N-({4-[(4,4-dimethylcyclohexyl)oxy]-5-fluoro-2-methoxyphenyl}methyl)-l-prolinamide|Dtxsid80676308|1224048-09-2","logHenry":-9.779,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.479,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.989,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.239,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.8,"MP.Reference":"EPA-CCD-OPERA","MW":378.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.151","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1224048-09-2"}
{"Compound":"Wz-4002","CAS":"1213269-23-8","CAS.Checksum":true,"DTXSID":"DTXSID30153230","Formula":"C25H27ClN6O3","All.Compound.Names":"Wz-4002|Dtxsid30153230|1213269-23-8","logHenry":-9.444,"logHenry.Reference":"EPA-CCD-OPERA","logP":4,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.726,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.502,"logWSol.Reference":"EPA-CCD-OPERA","MP":223.8,"MP.Reference":"EPA-CCD-OPERA","MW":495,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.31","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1213269-23-8"}
{"Compound":"(r,r)-formoterol","CAS":"67346-49-0","CAS.Checksum":true,"DTXSID":"DTXSID40110071","Formula":"C19H24N2O4","All.Compound.Names":"(r,r)-formoterol|Dtxsid40110071|67346-49-0","logHenry":-10.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4027,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.019,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.08,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.9,"MP.Reference":"EPA-CCD-OPERA","MW":344.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.91","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"67346-49-0"}
{"Compound":"Debrisoquin","CAS":"1131-64-2","CAS.Checksum":true,"DTXSID":"DTXSID7022885","Formula":"C10H13N3","All.Compound.Names":"Debrisoquin|Dtxsid7022885|1131-64-2","logHenry":-8.783,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7494,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.173,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.509,"logWSol.Reference":"EPA-CCD-OPERA","MP":279,"MP.Reference":"EPA-CCD-OPERA","MW":175.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.98","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1131-64-2"}
{"Compound":"Pf-04971729","CAS":"1210344-57-2","CAS.Checksum":true,"DTXSID":"DTXSID40153120","Formula":"C22H25ClO7","All.Compound.Names":"Pf-04971729|Dtxsid40153120|1210344-57-2","logHenry":-9.793,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.837,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.604,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.072,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.4,"MP.Reference":"EPA-CCD-OPERA","MW":436.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.5","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1210344-57-2"}
{"Compound":"Chembl213029","CAS":"41799-80-8","CAS.Checksum":true,"DTXSID":"DTXSID80437072","Formula":"C21H17ClN2O3","All.Compound.Names":"Chembl213029|2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetic acid|Dtxsid80437072|41799-80-8","logHenry":-7.968,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.661,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.559,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.782,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.2,"MP.Reference":"EPA-CCD-OPERA","MW":380.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.4","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"41799-80-8"}
{"Compound":"5-fluoro-3-phenyl-2-{1-[(9h-purin-6-yl)amino]propyl}quinazolin-4(3h)-one","CAS":"870281-82-6","CAS.Checksum":true,"DTXSID":"DTXSID701007266","Formula":"C22H18FN7O","All.Compound.Names":"5-fluoro-3-phenyl-2-{1-[(9h-purin-6-yl)amino]propyl}quinazolin-4(3h)-one|Idelalisib|Dtxsid701007266|870281-82-6","logHenry":-9.117,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.458,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.212,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.602,"logWSol.Reference":"EPA-CCD-OPERA","MP":232.6,"MP.Reference":"EPA-CCD-OPERA","MW":415.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.25","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"870281-82-6"}
{"Compound":"Gsk-1265744","CAS":"1051375-10-0","CAS.Checksum":true,"DTXSID":"DTXSID50146982","Formula":"C19H17F2N3O5","All.Compound.Names":"Gsk-1265744|Dtxsid50146982|1051375-10-0","logHenry":-10.29,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.364,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.924,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.5,"MP.Reference":"EPA-CCD-OPERA","MW":405.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.34","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6.294","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1051375-10-0"}
{"Compound":"Dirlotapide","CAS":"481658-94-0","CAS.Checksum":true,"DTXSID":"DTXSID00897432","Formula":"C40H33F3N4O3","All.Compound.Names":"Dirlotapide|Dtxsid00897432|481658-94-0","logHenry":-7.939,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.698,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.097,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.645,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.1,"MP.Reference":"EPA-CCD-OPERA","MW":674.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.6,0.118,3.05","Human.Caco2.Pab.Reference":"ChEMBL","Human.Clint":"3.377","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"481658-94-0"}
{"Compound":"Oc-000459","CAS":"851723-84-7","CAS.Checksum":true,"DTXSID":"DTXSID00234343","Formula":"C21H17FN2O2","All.Compound.Names":"Oc-000459|Dtxsid00234343|851723-84-7","logHenry":-8.852,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.808,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.538,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.266,"logWSol.Reference":"EPA-CCD-OPERA","MP":203.8,"MP.Reference":"EPA-CCD-OPERA","MW":348.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.04","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"851723-84-7"}
{"Compound":"2-amino-6-fluorobenzothiazole","CAS":"348-40-3","CAS.Checksum":true,"DTXSID":"DTXSID50313051","Formula":"C7H5FN2S","All.Compound.Names":"2-amino-6-fluorobenzothiazole|Dtxsid50313051|348-40-3","logHenry":-8.676,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.275,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.274,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.971,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.7,"MP.Reference":"EPA-CCD-OPERA","MW":168.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.41","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.75","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"348-40-3"}
{"Compound":"Tolmetin","CAS":"26171-23-3","CAS.Checksum":true,"DTXSID":"DTXSID2043951","Formula":"C15H15NO3","All.Compound.Names":"Tolmetin|26171-23-3|Dtxsid2043951","logHenry":-8.893,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.79,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.848,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.56,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.1,"MP.Reference":"EPA-CCD-OPERA","MW":257.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"7.76,3.44,17.5","Human.Caco2.Pab.Reference":"Lanevskij","Human.Clint":"9.12","Human.Clint.Reference":"Dawson 2021","Human.Foral":0.95,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"26171-23-3"}
{"Compound":"Ic-87114","CAS":"371242-69-2","CAS.Checksum":true,"DTXSID":"DTXSID00190617","Formula":"C22H19N7O","All.Compound.Names":"Ic-87114|Dtxsid00190617|371242-69-2","logHenry":-9.286,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.441,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.764,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.886,"logWSol.Reference":"EPA-CCD-OPERA","MP":208.4,"MP.Reference":"EPA-CCD-OPERA","MW":397.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10.96","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"371242-69-2"}
{"Compound":"7-diethylaminocoumarin-3-carboxylic acid","CAS":"50995-74-9","CAS.Checksum":true,"DTXSID":"DTXSID80198994","Formula":"C14H15NO4","All.Compound.Names":"7-diethylaminocoumarin-3-carboxylic acid|Dtxsid80198994|50995-74-9","logHenry":-8.725,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.149,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.793,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.776,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.6,"MP.Reference":"EPA-CCD-OPERA","MW":261.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"11.55","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"50995-74-9"}
{"Compound":"Ibutamoren","CAS":"159634-47-6","CAS.Checksum":true,"DTXSID":"DTXSID90166700","Formula":"C27H36N4O5S","All.Compound.Names":"Ibutamoren|Dtxsid90166700|159634-47-6","logHenry":-10.94,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.303,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.394,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.3,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.7,"MP.Reference":"EPA-CCD-OPERA","MW":528.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"14.45","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"159634-47-6"}
{"Compound":"Jq1 compound","CAS":"1268524-70-4","CAS.Checksum":true,"DTXSID":"DTXSID20155309","Formula":"C23H25ClN4O2S","All.Compound.Names":"Jq1 compound|Dtxsid20155309|1268524-70-4","logHenry":-8.742,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.705,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.974,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.769,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.9,"MP.Reference":"EPA-CCD-OPERA","MW":457,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"16.6","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1268524-70-4"}
{"Compound":"N-(4-methoxyphenyl)acrylamide","CAS":"7766-37-2","CAS.Checksum":true,"DTXSID":"DTXSID00228303","Formula":"C10H11NO2","All.Compound.Names":"N-(4-methoxyphenyl)acrylamide|Dtxsid00228303|7766-37-2","logHenry":-8.468,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.373,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.868,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.1,"logWSol.Reference":"EPA-CCD-OPERA","MP":107.3,"MP.Reference":"EPA-CCD-OPERA","MW":177.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10.72","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"7766-37-2"}
{"Compound":"Anamorelin","CAS":"249921-19-5","CAS.Checksum":true,"DTXSID":"DTXSID20179702","Formula":"C31H42N6O3","All.Compound.Names":"Anamorelin|Dtxsid20179702|249921-19-5","logHenry":-11.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.452,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.075,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.132,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.8,"MP.Reference":"EPA-CCD-OPERA","MW":546.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"8.91","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"249921-19-5"}
{"Compound":"Dacomitinib","CAS":"1110813-31-4","CAS.Checksum":true,"DTXSID":"DTXSID50149493","Formula":"C24H25ClFN5O2","All.Compound.Names":"Dacomitinib|Dtxsid50149493|1110813-31-4","logHenry":-10.07,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.493,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.215,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.146,"logWSol.Reference":"EPA-CCD-OPERA","MP":231.4,"MP.Reference":"EPA-CCD-OPERA","MW":470,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1110813-31-4"}
{"Compound":"Vernakalant","CAS":"794466-70-9","CAS.Checksum":true,"DTXSID":"DTXSID60229659","Formula":"C20H31NO4","All.Compound.Names":"Vernakalant|Dtxsid60229659|794466-70-9","logHenry":-8.32,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.429,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.174,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.908,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.6,"MP.Reference":"EPA-CCD-OPERA","MW":349.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6.46","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"794466-70-9"}
{"Compound":"Afuresertib","CAS":"1047644-62-1","CAS.Checksum":true,"DTXSID":"DTXSID60146711","Formula":"C18H17Cl2FN4OS","All.Compound.Names":"Afuresertib|Dtxsid60146711|1047644-62-1","logHenry":-10.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.891,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.679,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.669,"logWSol.Reference":"EPA-CCD-OPERA","MP":223.2,"MP.Reference":"EPA-CCD-OPERA","MW":427.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7.08","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1047644-62-1"}
{"Compound":"2-({5-chloro-2-[2-methoxy-4-(morpholin-4-yl)anilino]pyrimidin-4-yl}amino)-n-methylbenzamide","CAS":"761437-28-9","CAS.Checksum":true,"DTXSID":"DTXSID90433025","Formula":"C23H25ClN6O3","All.Compound.Names":"2-({5-chloro-2-[2-methoxy-4-(morpholin-4-yl)anilino]pyrimidin-4-yl}amino)-n-methylbenzamide|Dtxsid90433025|761437-28-9","logHenry":-9.559,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.602,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.928,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.589,"logWSol.Reference":"EPA-CCD-OPERA","MP":228,"MP.Reference":"EPA-CCD-OPERA","MW":468.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"16.22","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"761437-28-9"}
{"Compound":"Vx-11e","CAS":"896720-20-0","CAS.Checksum":true,"DTXSID":"DTXSID00469774","Formula":"C24H20Cl2FN5O2","All.Compound.Names":"Vx-11e|Dtxsid00469774|896720-20-0","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.867,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.639,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.976,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.5,"MP.Reference":"EPA-CCD-OPERA","MW":500.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"8.51","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"896720-20-0"}
{"Compound":"6-methyl-1h-benzimidazole-2-carboxylic acid","CAS":"99459-47-9","CAS.Checksum":true,"DTXSID":"DTXSID90363979","Formula":"C9H8N2O2","All.Compound.Names":"6-methyl-1h-benzimidazole-2-carboxylic acid|Dtxsid90363979|99459-47-9","logHenry":-8.336,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6801,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.462,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.853,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.2,"MP.Reference":"EPA-CCD-OPERA","MW":176.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.21","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9.77","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"99459-47-9"}
{"Compound":"Bupropion","CAS":"34911-55-2","CAS.Checksum":true,"DTXSID":"DTXSID7022706","Formula":"C13H18ClNO","All.Compound.Names":"Bupropion|Dtxsid7022706|34911-55-2","logHenry":-8.519,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.83,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.876,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.855,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.07,"MP.Reference":"EPA-CCD-OPERA","MW":239.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"16.98","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"34911-55-2"}
{"Compound":"Mocetinostat","CAS":"726169-73-9","CAS.Checksum":true,"DTXSID":"DTXSID80222945","Formula":"C23H20N6O","All.Compound.Names":"Mocetinostat|Dtxsid80222945|726169-73-9","logHenry":-9.533,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.472,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.993,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.886,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.8,"MP.Reference":"EPA-CCD-OPERA","MW":396.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7.5","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"726169-73-9"}
{"Compound":"8-[4-(methanesulfonyl)phenyl]-n-[3-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine","CAS":"1257704-57-6","CAS.Checksum":true,"DTXSID":"DTXSID30720926","Formula":"C24H26N6O2S","All.Compound.Names":"8-[4-(methanesulfonyl)phenyl]-n-[3-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine|Dtxsid30720926|1257704-57-6","logHenry":-6.571,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.959,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.207,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.768,"logWSol.Reference":"EPA-CCD-OPERA","MP":249.4,"MP.Reference":"EPA-CCD-OPERA","MW":462.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7.084","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1257704-57-6"}
{"Compound":"5-[2-ethoxy-5-(4-ethylpiperazine-1-sulfonyl)pyridin-3-yl]-3-ethyl-2-(2-methoxyethyl)-2,4-dihydro-7h-pyrazolo[4,3-d]pyrimidin-7-one","CAS":"334826-98-1","CAS.Checksum":true,"DTXSID":"DTXSID00955107","Formula":"C23H33N7O5S","All.Compound.Names":"5-[2-ethoxy-5-(4-ethylpiperazine-1-sulfonyl)pyridin-3-yl]-3-ethyl-2-(2-methoxyethyl)-2,4-dihydro-7h-pyrazolo[4,3-d]pyrimidin-7-one|Dtxsid00955107|334826-98-1","logHenry":-11.11,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.458,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.748,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.755,"logWSol.Reference":"EPA-CCD-OPERA","MP":245,"MP.Reference":"EPA-CCD-OPERA","MW":519.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10.12","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"334826-98-1"}
{"Compound":"Vidupiprant","CAS":"1169483-24-2","CAS.Checksum":true,"DTXSID":"DTXSID40151606","Formula":"C28H27Cl2FN2O6S","All.Compound.Names":"Vidupiprant|Dtxsid40151606|1169483-24-2","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.812,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.711,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.108,"logWSol.Reference":"EPA-CCD-OPERA","MP":240.1,"MP.Reference":"EPA-CCD-OPERA","MW":609.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1169483-24-2"}
{"Compound":"1-(3',4'-dichloro-2-fluoro(1,1'-biphenyl)-4-yl)cyclopropanecarboxylic acid","CAS":"749269-83-8","CAS.Checksum":true,"DTXSID":"DTXSID30225901","Formula":"C16H11Cl2FO2","All.Compound.Names":"1-(3',4'-dichloro-2-fluoro(1,1'-biphenyl)-4-yl)cyclopropanecarboxylic acid|Dtxsid30225901|749269-83-8","logHenry":-8.493,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.756,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.329,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.254,"logWSol.Reference":"EPA-CCD-OPERA","MP":170,"MP.Reference":"EPA-CCD-OPERA","MW":325.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"38.9","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"749269-83-8"}
{"Compound":"N-(4-methylphenyl)prop-2-enamide","CAS":"7766-36-1","CAS.Checksum":true,"DTXSID":"DTXSID60998873","Formula":"C10H11NO","All.Compound.Names":"N-(4-methylphenyl)prop-2-enamide|Dtxsid60998873|7766-36-1","logHenry":-8.266,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.739,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.95,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.077,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.8,"MP.Reference":"EPA-CCD-OPERA","MW":161.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"21.38","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"7766-36-1"}
{"Compound":"Ethane","CAS":"74-84-0","CAS.Checksum":true,"DTXSID":"DTXSID6026377","Formula":"C2H6","All.Compound.Names":"Ethane|Dtxsid6026377","logHenry":-0.4477,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.807,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.37,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.705,"logWSol.Reference":"EPA-CCD-OPERA","MP":-182.6,"MP.Reference":"EPA-CCD-OPERA","MW":30.07,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"150","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"74-84-0"}
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{"Compound":"Gsk-256066","CAS":"801312-28-7","CAS.Checksum":true,"DTXSID":"DTXSID30230090","Formula":"C27H26N4O5S","All.Compound.Names":"Gsk-256066|Dtxsid30230090|801312-28-7","logHenry":-10.95,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.535,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.205,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.283,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.2,"MP.Reference":"EPA-CCD-OPERA","MW":518.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"20.05","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"801312-28-7"}
{"Compound":"Chembl391379","CAS":"851546-84-4","CAS.Checksum":true,"DTXSID":"DTXSID80458181","Formula":"C18H19BrClNO2","All.Compound.Names":"Chembl391379|4-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]morpholine|Dtxsid80458181|851546-84-4","logHenry":-5.354,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.352,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.237,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.24,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.2,"MP.Reference":"EPA-CCD-OPERA","MW":396.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"54.95","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"851546-84-4"}
{"Compound":"Sd-06","CAS":"271576-80-8","CAS.Checksum":true,"DTXSID":"DTXSID60432080","Formula":"C20H20ClN5O2","All.Compound.Names":"Sd-06|Dtxsid60432080|271576-80-8","logHenry":-9.587,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.394,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.162,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.147,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.8,"MP.Reference":"EPA-CCD-OPERA","MW":397.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.362","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"271576-80-8"}
{"Compound":"Schembl185300","CAS":"271576-77-3","CAS.Checksum":true,"DTXSID":"DTXSID90432396","Formula":"C19H20ClN5","All.Compound.Names":"Schembl185300|4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1h-pyrazol-4-yl]pyrimidine|Dtxsid90432396|271576-77-3","logHenry":-6.49,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.596,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.816,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.961,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.6,"MP.Reference":"EPA-CCD-OPERA","MW":353.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9.087","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"271576-77-3"}
{"Compound":"(5-chloro-1h-indol-2-yl)(4-methylpiperazin-1-yl)methanone","CAS":"459168-41-3","CAS.Checksum":true,"DTXSID":"DTXSID20963461","Formula":"C14H16ClN3O","All.Compound.Names":"(5-chloro-1h-indol-2-yl)(4-methylpiperazin-1-yl)methanone|(5-chloro-1h-indol-2-yl)(4-methyl-1-piperazinyl)methanone|Dtxsid20963461|459168-41-3","logHenry":-9.163,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.309,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.78,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.201,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.9,"MP.Reference":"EPA-CCD-OPERA","MW":277.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"10.12","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"459168-41-3"}
{"Compound":"3-[(2r)-2,3-dihydroxypropyl]-6-fluoro-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3h,8h)-dione","CAS":"1035555-63-5","CAS.Checksum":true,"DTXSID":"DTXSID20648089","Formula":"C17H15F2IN4O4","All.Compound.Names":"3-[(2r)-2,3-dihydroxypropyl]-6-fluoro-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3h,8h)-dione|Dtxsid20648089|1035555-63-5","logHenry":-10.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7739,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.736,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.795,"logWSol.Reference":"EPA-CCD-OPERA","MP":235.5,"MP.Reference":"EPA-CCD-OPERA","MW":504.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.985","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1035555-63-5"}
{"Compound":"Pf-04457845","CAS":"1020315-31-4","CAS.Checksum":true,"DTXSID":"DTXSID00144539","Formula":"C23H20F3N5O2","All.Compound.Names":"Pf-04457845|Dtxsid00144539|1020315-31-4","logHenry":-7.285,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.134,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.112,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.191,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.6,"MP.Reference":"EPA-CCD-OPERA","MW":455.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.7","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1020315-31-4"}
{"Compound":"1-[1-(thiophen-2-yl)cyclohexyl]methanamine","CAS":"767627-74-7","CAS.Checksum":true,"DTXSID":"DTXSID10586183","Formula":"C11H17NS","All.Compound.Names":"1-[1-(thiophen-2-yl)cyclohexyl]methanamine|Dtxsid10586183|767627-74-7","logHenry":-5.735,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.54,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.682,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.948,"logWSol.Reference":"EPA-CCD-OPERA","MP":108,"MP.Reference":"EPA-CCD-OPERA","MW":195.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.069","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"767627-74-7"}
{"Compound":"Smt c1100","CAS":"945531-77-1","CAS.Checksum":true,"DTXSID":"DTXSID30241525","Formula":"C19H15NO3S","All.Compound.Names":"Smt c1100|Dtxsid30241525|945531-77-1","logHenry":-5.742,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.602,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.131,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.443,"logWSol.Reference":"EPA-CCD-OPERA","MP":115.4,"MP.Reference":"EPA-CCD-OPERA","MW":337.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.7","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"945531-77-1"}
{"Compound":"Ulimorelin hydrochloride","CAS":"951326-02-6","CAS.Checksum":true,"DTXSID":"DTXSID70241766","Formula":"C30H42ClFN4O5","All.Compound.Names":"Ulimorelin hydrochloride|Dtxsid70241766|951326-02-6","logHenry":-10.99,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.988,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.531,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.423,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.9,"MP.Reference":"EPA-CCD-OPERA","MW":593.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.2487","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"951326-02-6"}
{"Compound":"Gw-803430","CAS":"515141-51-2","CAS.Checksum":true,"DTXSID":"DTXSID70199490","Formula":"C25H24ClN3O3S","All.Compound.Names":"Gw-803430|Dtxsid70199490|515141-51-2","logHenry":-7.829,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.02,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.657,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.669,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.5,"MP.Reference":"EPA-CCD-OPERA","MW":482,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.4701","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"515141-51-2"}
{"Compound":"Rimegepant","CAS":"1289023-67-1","CAS.Checksum":true,"DTXSID":"DTXSID70156003","Formula":"C28H28F2N6O3","All.Compound.Names":"Rimegepant|Dtxsid70156003|1289023-67-1","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.728,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.999,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.03,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.2,"MP.Reference":"EPA-CCD-OPERA","MW":534.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.29","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.424","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1289023-67-1"}
{"Compound":"Uk 383367","CAS":"348622-88-8","CAS.Checksum":true,"DTXSID":"DTXSID30431303","Formula":"C15H24N4O4","All.Compound.Names":"Uk 383367|Dtxsid30431303|348622-88-8","logHenry":-10.8,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.576,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.741,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.835,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.9,"MP.Reference":"EPA-CCD-OPERA","MW":324.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.28","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"14.91","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"348622-88-8"}
{"Compound":"Gs-9620","CAS":"1228585-88-3","CAS.Checksum":true,"DTXSID":"DTXSID40153741","Formula":"C22H30N6O2","All.Compound.Names":"Gs-9620|Dtxsid40153741|1228585-88-3","logHenry":-9.008,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.251,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.421,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.491,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.5,"MP.Reference":"EPA-CCD-OPERA","MW":410.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.64","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9.301","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1228585-88-3"}
{"Compound":"Bms 433771","CAS":"380603-10-1","CAS.Checksum":true,"DTXSID":"DTXSID20191469","Formula":"C20H21N5O2","All.Compound.Names":"Bms 433771|Dtxsid20191469|380603-10-1","logHenry":-7.666,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.221,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.068,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.288,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.1,"MP.Reference":"EPA-CCD-OPERA","MW":363.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.17","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"11.5,5.1,25.9","Human.Caco2.Pab.Reference":"ChEMBL","Human.Clint":"15.75","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"380603-10-1"}
{"Compound":"3,6-dimethyl-n-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine","CAS":"175140-00-8","CAS.Checksum":true,"DTXSID":"DTXSID0047298","Formula":"C21H30N2O","All.Compound.Names":"3,6-dimethyl-n-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine|Dtxsid0047298|175140-00-8","logHenry":-6.545,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.194,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.374,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.731,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.9,"MP.Reference":"EPA-CCD-OPERA","MW":326.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"7.464","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"175140-00-8"}
{"Compound":"Ms-275","CAS":"209783-80-2","CAS.Checksum":true,"DTXSID":"DTXSID0041068","Formula":"C21H20N4O3","All.Compound.Names":"Ms-275|Dtxsid0041068|209783-80-2","logHenry":-9.851,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.03,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.381,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.408,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.5,"MP.Reference":"EPA-CCD-OPERA","MW":376.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.7","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"209783-80-2"}
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{"Compound":"Mudelta","CAS":"864825-13-8","CAS.Checksum":true,"DTXSID":"DTXSID80235590","Formula":"C32H37Cl2N5O5","All.Compound.Names":"Mudelta|Dtxsid80235590|864825-13-8","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.245,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.289,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.859,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.7,"MP.Reference":"EPA-CCD-OPERA","MW":642.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.93","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1.89","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"864825-13-8"}
{"Compound":"Bmh-21","CAS":"896705-16-1","CAS.Checksum":true,"DTXSID":"DTXSID10393157","Formula":"C21H20N4O2","All.Compound.Names":"Bmh-21|Dtxsid10393157|896705-16-1","logHenry":-10.61,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.244,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.052,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.182,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.5,"MP.Reference":"EPA-CCD-OPERA","MW":360.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.83","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"5.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.974","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"896705-16-1"}
{"Compound":"Chembl364400","CAS":"668479-96-7","CAS.Checksum":true,"DTXSID":"DTXSID00469037","Formula":"C12H14ClN3OS","All.Compound.Names":"Chembl364400|(2-chloro-6h-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone|Dtxsid00469037|668479-96-7","logHenry":-9.147,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.62,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.566,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.162,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.6,"MP.Reference":"EPA-CCD-OPERA","MW":283.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.351","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"668479-96-7"}
{"Compound":"Cid-2858522","CAS":"758679-97-9","CAS.Checksum":true,"DTXSID":"DTXSID30386304","Formula":"C28H39N3O3","All.Compound.Names":"Cid-2858522|Dtxsid30386304|758679-97-9","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.665,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.737,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.056,"logWSol.Reference":"EPA-CCD-OPERA","MP":165,"MP.Reference":"EPA-CCD-OPERA","MW":465.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"0.8591","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"758679-97-9"}
{"Compound":"Bms 740808","CAS":"280118-23-2","CAS.Checksum":true,"DTXSID":"DTXSID40182293","Formula":"C31H27F3N6O3","All.Compound.Names":"Bms 740808|Dtxsid40182293|280118-23-2","logHenry":-7.966,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.211,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.514,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.284,"logWSol.Reference":"EPA-CCD-OPERA","MP":252.1,"MP.Reference":"EPA-CCD-OPERA","MW":588.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.06","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6.75","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"280118-23-2"}
{"Compound":"Fasudil","CAS":"103745-39-7","CAS.Checksum":true,"DTXSID":"DTXSID4048569","Formula":"C14H17N3O2S","All.Compound.Names":"Fasudil|Dtxsid4048569|103745-39-7","logHenry":-7.144,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.471,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.481,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.447,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.6,"MP.Reference":"EPA-CCD-OPERA","MW":291.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.22","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.873","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"103745-39-7"}
{"Compound":"1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(1h-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione","CAS":"357262-60-3","CAS.Checksum":true,"DTXSID":"DTXSID50957136","Formula":"C21H20N4O3","All.Compound.Names":"1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(1h-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione|Dtxsid50957136|357262-60-3","logHenry":-8.077,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.699,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.693,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.595,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.8,"MP.Reference":"EPA-CCD-OPERA","MW":376.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"16.8,7.46,37.9","Human.Caco2.Pab.Reference":"ChEMBL","Human.Clint":"0.09545","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"357262-60-3"}
{"Compound":"Turofexorate isopropyl","CAS":"629664-81-9","CAS.Checksum":true,"DTXSID":"DTXSID90978825","Formula":"C25H24F2N2O3","All.Compound.Names":"Turofexorate isopropyl|Dtxsid90978825|629664-81-9","logHenry":-10.29,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.003,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.262,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.339,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.1,"MP.Reference":"EPA-CCD-OPERA","MW":438.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"14.19","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"629664-81-9"}
{"Compound":"Gsi-136","CAS":"443989-01-3","CAS.Checksum":true,"DTXSID":"DTXSID80196152","Formula":"C11H18ClNO3S2","All.Compound.Names":"Gsi-136|Dtxsid80196152|443989-01-3","logHenry":-7.974,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.069,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.339,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.646,"logWSol.Reference":"EPA-CCD-OPERA","MP":130.7,"MP.Reference":"EPA-CCD-OPERA","MW":311.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"50,22.2,113","Human.Caco2.Pab.Reference":"ChEMBL","Human.Clint":"35.53","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"443989-01-3"}
{"Compound":"N-[4-(1h-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide","CAS":"1072906-02-5","CAS.Checksum":true,"DTXSID":"DTXSID90648692","Formula":"C18H15N3O3","All.Compound.Names":"N-[4-(1h-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide|Dtxsid90648692|1072906-02-5","logHenry":-8.728,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.292,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.145,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.233,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.9,"MP.Reference":"EPA-CCD-OPERA","MW":321.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"14.19","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1072906-02-5"}
{"Compound":"N-{2-[2-(dimethylamino)ethoxy]-4-(1h-pyrazol-4-yl)phenyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide","CAS":"1072959-67-1","CAS.Checksum":true,"DTXSID":"DTXSID50648693","Formula":"C22H24N4O4","All.Compound.Names":"N-{2-[2-(dimethylamino)ethoxy]-4-(1h-pyrazol-4-yl)phenyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide|Dtxsid50648693|1072959-67-1","logHenry":-10.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.888,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.704,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.035,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.4,"MP.Reference":"EPA-CCD-OPERA","MW":408.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"8.105","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1072959-67-1"}
{"Compound":"3-heptyl-4-hydroxy-7-methoxy-2-methylquinoline","CAS":"4939-34-8","CAS.Checksum":true,"DTXSID":"DTXSID80197780","Formula":"C18H25NO2","All.Compound.Names":"3-heptyl-4-hydroxy-7-methoxy-2-methylquinoline|Dtxsid80197780|4939-34-8","logHenry":-7.092,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.418,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.208,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.266,"logWSol.Reference":"EPA-CCD-OPERA","MP":103.9,"MP.Reference":"EPA-CCD-OPERA","MW":287.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"27.79","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"4939-34-8"}
{"Compound":"Saridegib","CAS":"1037210-93-7","CAS.Checksum":true,"DTXSID":"DTXSID40146032","Formula":"C29H48N2O3S","All.Compound.Names":"Saridegib|Dtxsid40146032|1037210-93-7","logHenry":-7.572,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.466,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.152,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.213,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.4,"MP.Reference":"EPA-CCD-OPERA","MW":504.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3.327","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1037210-93-7"}
{"Compound":"Immunomycin","CAS":"104987-12-4","CAS.Checksum":true,"DTXSID":"DTXSID80894126","Formula":"C43H69NO12","All.Compound.Names":"Immunomycin|Dtxsid80894126|104987-12-4","logHenry":-8.733,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.429,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.179,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.217,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.6,"MP.Reference":"EPA-CCD-OPERA","MW":792,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.79","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"118.1","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"104987-12-4"}
{"Compound":"Ethoxyresorufin","CAS":"5725-91-7","CAS.Checksum":true,"DTXSID":"DTXSID90205860","Formula":"C14H11NO3","All.Compound.Names":"Ethoxyresorufin|Dtxsid90205860|5725-91-7","logHenry":-7.933,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.138,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.275,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.481,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.8,"MP.Reference":"EPA-CCD-OPERA","MW":241.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"150","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"5725-91-7"}
{"Compound":"Aclidinium","CAS":"727649-81-2","CAS.Checksum":true,"DTXSID":"DTXSID00223070","Formula":"C26H30NO4S2","All.Compound.Names":"Aclidinium|Dtxsid00223070|727649-81-2","logHenry":-7.283,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.572,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.679,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.681,"logWSol.Reference":"EPA-CCD-OPERA","MP":234.2,"MP.Reference":"EPA-CCD-OPERA","MW":484.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"64","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"727649-81-2"}
{"Compound":"At13387","CAS":"912999-49-6","CAS.Checksum":true,"DTXSID":"DTXSID80238485","Formula":"C24H31N3O3","All.Compound.Names":"At13387|Dtxsid80238485|912999-49-6","logHenry":-10.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.907,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.673,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.07,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.6,"MP.Reference":"EPA-CCD-OPERA","MW":409.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"23.44","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"912999-49-6"}
{"Compound":"Vemurafenib","CAS":"918504-65-1","CAS.Checksum":true,"DTXSID":"DTXSID50238710","Formula":"C23H18ClF2N3O3S","All.Compound.Names":"Vemurafenib|Dtxsid50238710|918504-65-1","logHenry":-11,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.1,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.51,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.5,"MP.Reference":"EPA-CCD-OPERA","MW":489.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.94","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6.61","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"918504-65-1"}
{"Compound":"3-methyl-1,4-diphenyl-1h-pyrazol-5-amine","CAS":"58314-81-1","CAS.Checksum":true,"DTXSID":"DTXSID50347235","Formula":"C16H15N3","All.Compound.Names":"3-methyl-1,4-diphenyl-1h-pyrazol-5-amine|Dtxsid50347235|58314-81-1","logHenry":-6.834,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.526,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.551,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.752,"logWSol.Reference":"EPA-CCD-OPERA","MP":111.1,"MP.Reference":"EPA-CCD-OPERA","MW":249.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"32.36","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"58314-81-1"}
{"Compound":"N-benzothiazol-2-yl-benzamide","CAS":"5005-14-1","CAS.Checksum":true,"DTXSID":"DTXSID40351068","Formula":"C14H10N2OS","All.Compound.Names":"N-benzothiazol-2-yl-benzamide|Dtxsid40351068|5005-14-1","logHenry":-9.731,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.455,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.359,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.17,"logWSol.Reference":"EPA-CCD-OPERA","MP":234.5,"MP.Reference":"EPA-CCD-OPERA","MW":254.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"77.62","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"5005-14-1"}
{"Compound":"Cgh 2466","CAS":"252198-68-8","CAS.Checksum":true,"DTXSID":"DTXSID80415219","Formula":"C14H9Cl2N3S","All.Compound.Names":"Cgh 2466|Dtxsid80415219|252198-68-8","logHenry":-5.254,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.285,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.182,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.985,"logWSol.Reference":"EPA-CCD-OPERA","MP":224.5,"MP.Reference":"EPA-CCD-OPERA","MW":322.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"19.05","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"252198-68-8"}
{"Compound":"Rdea 806","CAS":"1004523-72-1","CAS.Checksum":true,"DTXSID":"DTXSID50143299","Formula":"C24H18BrClN4O3S","All.Compound.Names":"Rdea 806|Dtxsid50143299|1004523-72-1","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.441,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.305,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.236,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.5,"MP.Reference":"EPA-CCD-OPERA","MW":557.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2.221","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1004523-72-1"}
{"Compound":"5-[7-(methanesulfonyl)-2-(morpholin-4-yl)-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine","CAS":"1007207-67-1","CAS.Checksum":true,"DTXSID":"DTXSID40678540","Formula":"C15H19N7O3S","All.Compound.Names":"5-[7-(methanesulfonyl)-2-(morpholin-4-yl)-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine|Dtxsid40678540|1007207-67-1","logHenry":-6.896,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5162,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.751,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.538,"logWSol.Reference":"EPA-CCD-OPERA","MP":241.8,"MP.Reference":"EPA-CCD-OPERA","MW":377.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.63","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1007207-67-1"}
{"Compound":"Ce-224535","CAS":"724424-43-5","CAS.Checksum":true,"DTXSID":"DTXSID20222742","Formula":"C22H29ClN4O6","All.Compound.Names":"Ce-224535|Dtxsid20222742|724424-43-5","logHenry":-8.107,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.013,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.451,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.582,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.1,"MP.Reference":"EPA-CCD-OPERA","MW":481,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"724424-43-5"}
{"Compound":"Bgj-398","CAS":"872511-34-7","CAS.Checksum":true,"DTXSID":"DTXSID70236238","Formula":"C26H31Cl2N7O3","All.Compound.Names":"Bgj-398|Dtxsid70236238|872511-34-7","logHenry":-10.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.587,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.161,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.274,"logWSol.Reference":"EPA-CCD-OPERA","MP":211.2,"MP.Reference":"EPA-CCD-OPERA","MW":560.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"28.84","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"872511-34-7"}
{"Compound":"7-ethoxycoumarin","CAS":"31005-02-4","CAS.Checksum":true,"DTXSID":"DTXSID30184983","Formula":"C11H10O3","All.Compound.Names":"7-ethoxycoumarin|Dtxsid30184983","logHenry":-8.399,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.185,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.139,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.466,"logWSol.Reference":"EPA-CCD-OPERA","MP":115.8,"MP.Reference":"EPA-CCD-OPERA","MW":190.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"35.48","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"31005-02-4"}
{"Compound":"Zomepirac","CAS":"33369-31-2","CAS.Checksum":true,"DTXSID":"DTXSID9023754","Formula":"C15H14ClNO3","All.Compound.Names":"Zomepirac|Dtxsid9023754|33369-31-2","logHenry":-8.986,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.814,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.459,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.145,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.4,"MP.Reference":"EPA-CCD-OPERA","MW":291.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"33369-31-2"}
{"Compound":"Buparlisib","CAS":"944396-07-0","CAS.Checksum":true,"DTXSID":"DTXSID50241486","Formula":"C18H21F3N6O2","All.Compound.Names":"Buparlisib|Dtxsid50241486|944396-07-0","logHenry":-7.108,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.416,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.863,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.538,"logWSol.Reference":"EPA-CCD-OPERA","MP":223,"MP.Reference":"EPA-CCD-OPERA","MW":410.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"944396-07-0"}
{"Compound":"Sch-900271","CAS":"915210-50-3","CAS.Checksum":true,"DTXSID":"DTXSID00238609","Formula":"C14H16N2O4","All.Compound.Names":"Sch-900271|Dtxsid00238609|915210-50-3","logHenry":-9.004,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.313,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.327,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.441,"logWSol.Reference":"EPA-CCD-OPERA","MP":238,"MP.Reference":"EPA-CCD-OPERA","MW":276.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"915210-50-3"}
{"Compound":"Vapendavir","CAS":"439085-51-5","CAS.Checksum":true,"DTXSID":"DTXSID40195984","Formula":"C21H26N4O3","All.Compound.Names":"Vapendavir|Dtxsid40195984|439085-51-5","logHenry":-6.551,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.097,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.592,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.984,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.3,"MP.Reference":"EPA-CCD-OPERA","MW":382.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.69","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"29.51","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"439085-51-5"}
{"Compound":"N-phenylacrylamide","CAS":"2210-24-4","CAS.Checksum":true,"DTXSID":"DTXSID60278268","Formula":"C9H9NO","All.Compound.Names":"N-phenylacrylamide|Dtxsid60278268|2210-24-4","logHenry":-8.409,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.439,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.019,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.672,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.98,"MP.Reference":"EPA-CCD-OPERA","MW":147.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"30.9","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"2210-24-4"}
{"Compound":"Methyl ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1h-indol-4-yl}oxy)acetate","CAS":"172733-08-3","CAS.Checksum":true,"DTXSID":"DTXSID40938196","Formula":"C22H22N2O5","All.Compound.Names":"Methyl ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1h-indol-4-yl}oxy)acetate|Dtxsid40938196|172733-08-3","logHenry":-11.07,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.099,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.144,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.436,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.4,"MP.Reference":"EPA-CCD-OPERA","MW":394.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"50.12","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"172733-08-3"}
{"Compound":"Cabozantinib","CAS":"849217-68-1","CAS.Checksum":true,"DTXSID":"DTXSID10233968","Formula":"C28H24FN3O5","All.Compound.Names":"Cabozantinib|Dtxsid10233968|849217-68-1","logHenry":-9.414,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.797,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.927,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.671,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.4,"MP.Reference":"EPA-CCD-OPERA","MW":501.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"6.76","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"849217-68-1"}
{"Compound":"Elubrixin","CAS":"688763-64-6","CAS.Checksum":true,"DTXSID":"DTXSID60218962","Formula":"C17H17Cl2FN4O4S","All.Compound.Names":"Elubrixin|Dtxsid60218962|688763-64-6","logHenry":-9.696,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1612,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.294,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.876,"logWSol.Reference":"EPA-CCD-OPERA","MP":250.4,"MP.Reference":"EPA-CCD-OPERA","MW":463.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"3","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"688763-64-6"}
{"Compound":"Am-211","CAS":"1175526-27-8","CAS.Checksum":true,"DTXSID":"DTXSID80151807","Formula":"C27H27F3N2O4","All.Compound.Names":"Am-211|Dtxsid80151807|1175526-27-8","logHenry":-7.543,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.222,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.442,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.747,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.6,"MP.Reference":"EPA-CCD-OPERA","MW":500.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"25.12","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"1175526-27-8"}
{"Compound":"4-[5-(4-methylphenyl)-3-phenyl-1h-pyrazol-1-yl]benzene-1-sulfonamide","CAS":"111607-61-5","CAS.Checksum":true,"DTXSID":"DTXSID60552651","Formula":"C22H19N3O2S","All.Compound.Names":"4-[5-(4-methylphenyl)-3-phenyl-1h-pyrazol-1-yl]benzene-1-sulfonamide|Dtxsid60552651|111607-61-5","logHenry":-8.422,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.735,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.555,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.991,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.5,"MP.Reference":"EPA-CCD-OPERA","MW":389.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.84","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"12.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"13.49","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"111607-61-5"}
{"Compound":"Abiraterone","CAS":"154229-19-3","CAS.Checksum":true,"DTXSID":"DTXSID80879993","Formula":"C24H31NO","All.Compound.Names":"Abiraterone|Dtxsid80879993|154229-19-3","logHenry":-8.264,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.615,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.817,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.892,"logWSol.Reference":"EPA-CCD-OPERA","MP":183.8,"MP.Reference":"EPA-CCD-OPERA","MW":349.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.01","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"54.95","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"154229-19-3"}
{"Compound":"N-[3-(4-chlorophenyl)-1-{4-cyclohexyl-4-[(1h-1,2,4-triazol-1-yl)methyl]piperidin-1-yl}-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboximidic acid","CAS":"312637-48-2","CAS.Checksum":true,"DTXSID":"DTXSID00953320","Formula":"C33H41ClN6O2","All.Compound.Names":"N-[3-(4-chlorophenyl)-1-{4-cyclohexyl-4-[(1h-1,2,4-triazol-1-yl)methyl]piperidin-1-yl}-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboximidic acid|Thiq|Dtxsid00953320|312637-48-2","logHenry":-10.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.564,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.161,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.571,"logWSol.Reference":"EPA-CCD-OPERA","MP":225.2,"MP.Reference":"EPA-CCD-OPERA","MW":589.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"27.54","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"312637-48-2"}
{"Compound":"Ar-c155858","CAS":"496791-37-8","CAS.Checksum":true,"DTXSID":"DTXSID70436993","Formula":"C21H27N5O5S","All.Compound.Names":"Ar-c155858|Dtxsid70436993|496791-37-8","logHenry":-8.597,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4746,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.195,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.499,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.1,"MP.Reference":"EPA-CCD-OPERA","MW":461.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"1","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"496791-37-8"}
{"Compound":"Amodiaquine","CAS":"86-42-0","CAS.Checksum":true,"DTXSID":"DTXSID2022597","Formula":"C20H22ClN3O","All.Compound.Names":"Amodiaquine|86-42-0|Dtxsid2022597","logHenry":-8.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.648,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.917,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.234,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.4,"MP.Reference":"EPA-CCD-OPERA","MW":355.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"32.36","Human.Clint.Reference":"Dawson 2021","Human.Foral":0.75,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"86-42-0"}
{"Compound":"9h-fluorene-2,7-diamine","CAS":"525-64-4","CAS.Checksum":true,"DTXSID":"DTXSID00200503","Formula":"C13H12N2","All.Compound.Names":"9h-fluorene-2,7-diamine|Dtxsid00200503|525-64-4","logHenry":-6.971,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.52,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.474,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.196,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.7,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"61.66","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"525-64-4"}
{"Compound":"Sibenadet","CAS":"154189-40-9","CAS.Checksum":true,"DTXSID":"DTXSID50165552","Formula":"C22H28N2O5S2","All.Compound.Names":"Sibenadet|Dtxsid50165552|154189-40-9","logHenry":-10.92,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.777,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.665,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.543,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.5,"MP.Reference":"EPA-CCD-OPERA","MW":464.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"42.5","Human.Clint.Reference":"Dawson 2021","Chemical.Class":"","_row":"154189-40-9"}
{"Compound":"4-n-nonylphenol","CAS":"104-40-5","CAS.Checksum":true,"DTXSID":"DTXSID5033836","Formula":"C15H24O","All.Compound.Names":"4-n-nonylphenol|4-nonylphenol|Dtxsid5033836|104-40-5","logHenry":-4.976,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.757,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.603,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.519,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.2,"MP.Reference":"EPA-CCD-OPERA","MW":220.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human|Rat","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"62.6","Human.Clint.Reference":"Black 2021","Rat.Clint":"110","Rat.Clint.Reference":"Black 2021","Chemical.Class":"","_row":"104-40-5"}
{"Compound":"Afn-1252","CAS":"620175-39-5","CAS.Checksum":true,"DTXSID":"DTXSID10211069","Formula":"C22H21N3O3","All.Compound.Names":"Afn-1252","logHenry":-9.346,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8495,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.384,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.473,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.4,"MP.Reference":"EPA-CCD-OPERA","MW":375.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"9","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.047","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"620175-39-5"}
{"Compound":"Antazoline","CAS":"91-75-8","CAS.Checksum":true,"DTXSID":"DTXSID3022613","Formula":"C17H19N3","All.Compound.Names":"Antazoline","logHenry":-9.434,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.879,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.805,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.601,"logWSol.Reference":"EPA-CCD-OPERA","MP":120,"MP.Reference":"EPA-CCD-OPERA","MW":265.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"52","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.562","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"91-75-8"}
{"Compound":"Aplaviroc","CAS":"461443-59-4","CAS.Checksum":true,"DTXSID":"DTXSID6047317","Formula":"C33H43N3O6","All.Compound.Names":"Aplaviroc","logHenry":-8.064,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.753,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.795,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.388,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.5,"MP.Reference":"EPA-CCD-OPERA","MW":577.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"40","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.013","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"461443-59-4"}
{"Compound":"Cudc-101","CAS":"1012054-59-9","CAS.Checksum":true,"DTXSID":"DTXSID00143784","Formula":"C24H26N4O4","All.Compound.Names":"Cudc-101","logHenry":-10.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.117,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.337,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.83,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.9,"MP.Reference":"EPA-CCD-OPERA","MW":434.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"222","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.021","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"1012054-59-9"}
{"Compound":"Cyclizine","CAS":"82-92-8","CAS.Checksum":true,"DTXSID":"DTXSID4022864","Formula":"C18H22N2","All.Compound.Names":"Cyclizine","logHenry":-5.093,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.833,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.869,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.423,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.5,"MP.Reference":"EPA-CCD-OPERA","MW":266.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.339","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"82-92-8"}
{"Compound":"Fimasartan","CAS":"247257-48-3","CAS.Checksum":true,"DTXSID":"DTXSID80179460","Formula":"C27H31N7OS","All.Compound.Names":"Fimasartan","logHenry":-8.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.765,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.421,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.446,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.7,"MP.Reference":"EPA-CCD-OPERA","MW":501.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.023","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"247257-48-3"}
{"Compound":"Flupentixol","CAS":"2709-56-0","CAS.Checksum":true,"DTXSID":"DTXSID3058749","Formula":"C23H25F3N2OS","All.Compound.Names":"Flupentixol|2709-56-0|Flupenthixol","logHenry":-9.981,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.509,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.825,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.712,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.7,"MP.Reference":"EPA-CCD-OPERA","MW":434.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"12","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.5,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.016","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"2709-56-0"}
{"Compound":"Laropiprant","CAS":"571170-77-9","CAS.Checksum":true,"DTXSID":"DTXSID60205756","Formula":"C21H19ClFNO4S","All.Compound.Names":"Laropiprant","logHenry":-8.639,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.917,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.351,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.313,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.3,"MP.Reference":"EPA-CCD-OPERA","MW":435.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"13","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.004","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"571170-77-9"}
{"Compound":"Metopimazine","CAS":"14008-44-7","CAS.Checksum":true,"DTXSID":"DTXSID80161224","Formula":"C22H27N3O3S2","All.Compound.Names":"Metopimazine|14008-44-7","logHenry":-9.114,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.084,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.145,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.516,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.5,"MP.Reference":"EPA-CCD-OPERA","MW":445.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"33","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.2,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.273","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"14008-44-7"}
{"Compound":"Nortilidine","CAS":"38677-94-0","CAS.Checksum":true,"DTXSID":"DTXSID10191973","Formula":"C16H21NO2","All.Compound.Names":"Nortilidine|38677-94-0","logHenry":-9.418,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.19,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.645,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.847,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.9,"MP.Reference":"EPA-CCD-OPERA","MW":259.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"2","Human.Clint.Reference":"Williamson 2020","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Human.Funbound.plasma":"0.862","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"38677-94-0"}
{"Compound":"Remimazolam","CAS":"308242-62-8","CAS.Checksum":true,"DTXSID":"DTXSID20953024","Formula":"C21H19BrN4O2","All.Compound.Names":"Remimazolam|Methyl 3-[8-bromo-1-methyl-6-(pyridin-2-yl)-4h-imidazo[1,2-a][1,4]benzodiazepin-4-yl]propanoate","logHenry":-8.877,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.27,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.41,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.835,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.3,"MP.Reference":"EPA-CCD-OPERA","MW":439.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"158","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.164","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"308242-62-8"}
{"Compound":"Tasimelteon","CAS":"609799-22-6","CAS.Checksum":true,"DTXSID":"DTXSID70209826","Formula":"C15H19NO2","All.Compound.Names":"Tasimelteon","logHenry":-9.415,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.163,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.449,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.318,"logWSol.Reference":"EPA-CCD-OPERA","MP":109,"MP.Reference":"EPA-CCD-OPERA","MW":245.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.274","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"609799-22-6"}
{"Compound":"Telcagepant","CAS":"781649-09-0","CAS.Checksum":true,"DTXSID":"DTXSID50999410","Formula":"C26H27F5N6O3","All.Compound.Names":"Telcagepant","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.63,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.045,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.364,"logWSol.Reference":"EPA-CCD-OPERA","MP":225.7,"MP.Reference":"EPA-CCD-OPERA","MW":566.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.053","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"781649-09-0"}
{"Compound":"Volasertib","CAS":"755038-65-4","CAS.Checksum":true,"DTXSID":"DTXSID901025694","Formula":"C34H50N8O3","All.Compound.Names":"Volasertib","MW":618.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5","Human.Clint.Reference":"Williamson 2020","Human.Funbound.plasma":"0.145","Human.Funbound.plasma.Reference":"Williamson 2020","Chemical.Class":"","_row":"755038-65-4"}
{"Compound":"Asimadoline","CAS":"153205-46-0","CAS.Checksum":true,"DTXSID":"DTXSID60165285","Formula":"C27H30N2O2","All.Compound.Names":"Asimadoline","logHenry":-9.603,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.735,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.51,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.327,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.78,"MP.Reference":"EPA-CCD-OPERA","MW":414.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"5.3","Human.Clint.Reference":"Yamagata 2017","Human.Funbound.plasma":"0.08","Human.Funbound.plasma.Reference":"Yamagata 2017","Human.Rblood2plasma":0.7,"Human.Rblood2plasma.Reference":"Yamagata 2017","Chemical.Class":"","_row":"153205-46-0"}
{"Compound":"Pruvanserin","CAS":"443144-26-1","CAS.Checksum":true,"DTXSID":"DTXSID40196133","Formula":"C22H21FN4O","All.Compound.Names":"Pruvanserin","logHenry":-8.671,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.565,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.788,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.265,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.7,"MP.Reference":"EPA-CCD-OPERA","MW":376.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Clint":"4.2","Human.Clint.Reference":"Yamagata 2017","Human.Funbound.plasma":"0.051","Human.Funbound.plasma.Reference":"Yamagata 2017","Human.Rblood2plasma":0.7,"Human.Rblood2plasma.Reference":"Yamagata 2017","Chemical.Class":"","_row":"443144-26-1"}
{"Compound":"2-chloro-6-ethylamino-4-nitrophenol","CAS":"131657-78-8","CAS.Checksum":true,"DTXSID":"DTXSID00157169","Formula":"C8H9ClN2O3","All.Compound.Names":"2-chloro-6-ethylamino-4-nitrophenol|Dtxsid00157169|131657-78-8","logHenry":-7.6,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.756,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.199,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.754,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.8,"MP.Reference":"EPA-CCD-OPERA","MW":216.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"140,62.1,315","Human.Caco2.Pab.Reference":"Obringer","Chemical.Class":"","_row":"131657-78-8"}
{"Compound":"Cosalane","CAS":"154212-56-3","CAS.Checksum":true,"DTXSID":"DTXSID00165567","Formula":"C45H60Cl2O6","All.Compound.Names":"Cosalane|Dtxsid00165567|154212-56-3","logHenry":-7.572,"logHenry.Reference":"EPA-CCD-OPERA","logP":10.04,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4929,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.223,"logWSol.Reference":"EPA-CCD-OPERA","MP":238.6,"MP.Reference":"EPA-CCD-OPERA","MW":767.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.0447,0.0088,0.227","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"154212-56-3"}
{"Compound":"Ephedrine","CAS":"299-42-3","CAS.Checksum":true,"DTXSID":"DTXSID0022985","Formula":"C10H15NO","All.Compound.Names":"Ephedrine|Dtxsid0022985|299-42-3","logHenry":-6.943,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.494,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.356,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4365,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.45,"MP.Reference":"EPA-CCD-OPERA","MW":165.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.58","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"10.2,4.54,23.1","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"299-42-3"}
{"Compound":"1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid","CAS":"296899-02-0","CAS.Checksum":true,"DTXSID":"DTXSID00391122","Formula":"C15H15BrN2O2S","All.Compound.Names":"1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid|Dtxsid00391122|296899-02-0","logHenry":-9.615,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.989,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.478,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.973,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.8,"MP.Reference":"EPA-CCD-OPERA","MW":367.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.81","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"32.6,14.5,73.5","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"296899-02-0"}
{"Compound":"1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-1-naphthalenyl)propyl]piperazine","CAS":"172906-90-0","CAS.Checksum":true,"DTXSID":"DTXSID00676880","Formula":"C24H38N2O","All.Compound.Names":"1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-1-naphthalenyl)propyl]piperazine|Dtxsid00676880|172906-90-0","logHenry":-7.42,"logHenry.Reference":"OPERA29","logP":3.36,"logP.Reference":"OPERA29","logWSol":-3.68,"logWSol.Reference":"OPERA29","MP":122,"MP.Reference":"OPERA29","MW":370.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"250,111,562","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"172906-90-0"}
{"Compound":"4-[(e)-2-phenylethenyl]pyrimidin-2-amine","CAS":"125404-04-8","CAS.Checksum":true,"DTXSID":"DTXSID00677236","Formula":"C12H11N3","All.Compound.Names":"4-[(e)-2-phenylethenyl]pyrimidin-2-amine|Dtxsid00677236|125404-04-8","logHenry":-6.846,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.773,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.037,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.341,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.6,"MP.Reference":"EPA-CCD-OPERA","MW":197.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"41.9,18.6,94.4","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"125404-04-8"}
{"Compound":"3,6-diamino-9-(2-(methoxycarbonyl)phenyl)xanthylium chloride","CAS":"62669-70-9","CAS.Checksum":true,"DTXSID":"DTXSID00886503","Formula":"C21H17ClN2O3","All.Compound.Names":"3,6-diamino-9-(2-(methoxycarbonyl)phenyl)xanthylium chloride|62669-70-9","logHenry":-9.779,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.674,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.15,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.687,"logWSol.Reference":"EPA-CCD-OPERA","MP":246.9,"MP.Reference":"EPA-CCD-OPERA","MW":380.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.71","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.55,0.687,3.49","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"62669-70-9"}
{"Compound":"(4s,9e)-3,4,6,7,8,9-hexahydro-9-[[3-methoxy-4-(4-methyl-1h-imidazol-1-yl)phenyl]methylene]-4-(3,4,5-trifluorophenyl)pyrido[2,1-c][1,2,4]oxadiazine","CAS":"1352130-02-9","CAS.Checksum":true,"DTXSID":"DTXSID101100630","Formula":"C25H23F3N4O2","All.Compound.Names":"(4s,9e)-3,4,6,7,8,9-hexahydro-9-[[3-methoxy-4-(4-methyl-1h-imidazol-1-yl)phenyl]methylene]-4-(3,4,5-trifluorophenyl)pyrido[2,1-c][1,2,4]oxadiazine|Dtxsid101100630|1352130-02-9","logHenry":-8.17,"logHenry.Reference":"OPERA29","logP":4.17,"logP.Reference":"OPERA29","logWSol":-5.68,"logWSol.Reference":"OPERA29","MP":158,"MP.Reference":"OPERA29","MW":468.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"24.6,10.9,55.4","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"1352130-02-9"}
{"Compound":"N-[(2r)-2-[4-[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]phenyl]propyl]-2-propanesulfonamide","CAS":"1266112-07-5","CAS.Checksum":true,"DTXSID":"DTXSID101111653","Formula":"C17H22F3N3O3S","All.Compound.Names":"N-[(2r)-2-[4-[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]phenyl]propyl]-2-propanesulfonamide|Dtxsid101111653|1266112-07-5","logHenry":-7.58,"logHenry.Reference":"OPERA29","logP":1.72,"logP.Reference":"OPERA29","logWSol":-3.58,"logWSol.Reference":"OPERA29","MP":158,"MP.Reference":"OPERA29","MW":405.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.99","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"20.6,9.14,46.4","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"1266112-07-5"}
{"Compound":"Hc yellow no. 13","CAS":"10442-83-8","CAS.Checksum":true,"DTXSID":"DTXSID10146483","Formula":"C9H9F3N2O3","All.Compound.Names":"Hc yellow no. 13|Dtxsid10146483|10442-83-8","logHenry":-9.495,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.967,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.973,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.006,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.6,"MP.Reference":"EPA-CCD-OPERA","MW":250.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"82.6,36.7,186","Human.Caco2.Pab.Reference":"Obringer","Chemical.Class":"","_row":"10442-83-8"}
{"Compound":"Emricasan","CAS":"254750-02-2","CAS.Checksum":true,"DTXSID":"DTXSID10180160","Formula":"C26H27F4N3O7","All.Compound.Names":"Emricasan|Dtxsid10180160|254750-02-2","logHenry":-10.8,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.799,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.691,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.497,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.7,"MP.Reference":"EPA-CCD-OPERA","MW":569.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.5,0.0985,2.54","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"254750-02-2"}
{"Compound":"Aniline, p,p'-diselenodi-","CAS":"35507-35-8","CAS.Checksum":true,"DTXSID":"DTXSID10189012","Formula":"C12H12N2Se2","All.Compound.Names":"Aniline, p,p'-diselenodi-|Dtxsid10189012|35507-35-8","logHenry":-6.966,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.067,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.114,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.924,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.1,"MP.Reference":"EPA-CCD-OPERA","MW":342.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"2.29,1.02,5.16","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"35507-35-8"}
{"Compound":"Naringenin","CAS":"480-41-1","CAS.Checksum":true,"DTXSID":"DTXSID1022392","Formula":"C15H12O5","All.Compound.Names":"Naringenin|Dtxsid1022392|480-41-1","logHenry":-8.98,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.524,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.718,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.749,"logWSol.Reference":"EPA-CCD-OPERA","MP":251.2,"MP.Reference":"EPA-CCD-OPERA","MW":272.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"37.9,16.8,85.4","Human.Caco2.Pab.Reference":"ChEMBL,Lanevskij","Chemical.Class":"","_row":"480-41-1"}
{"Compound":"Formoterol","CAS":"73573-87-2","CAS.Checksum":true,"DTXSID":"DTXSID1023077","Formula":"C19H24N2O4","All.Compound.Names":"Formoterol|Dtxsid1023077|73573-87-2","logHenry":-10.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4027,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.019,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.08,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.9,"MP.Reference":"EPA-CCD-OPERA","MW":344.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.9,0.845,4.29","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"73573-87-2"}
{"Compound":"L-glutamine","CAS":"56-85-9","CAS.Checksum":true,"DTXSID":"DTXSID1023100","Formula":"C5H10N2O3","All.Compound.Names":"L-glutamine|Dtxsid1023100|56-85-9","logHenry":-9.329,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.64,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.76,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5489,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.6,"MP.Reference":"EPA-CCD-OPERA","MW":146.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.851,0.168,4.32","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"56-85-9"}
{"Compound":"Pranoprofen","CAS":"52549-17-4","CAS.Checksum":true,"DTXSID":"DTXSID1023497","Formula":"C15H13NO3","All.Compound.Names":"Pranoprofen|Dtxsid1023497|52549-17-4","logHenry":-9.551,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.647,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.978,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.629,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.5,"MP.Reference":"EPA-CCD-OPERA","MW":255.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.63","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"40.7,18.1,91.8","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"52549-17-4"}
{"Compound":"Adp-597","CAS":"897732-93-3","CAS.Checksum":true,"DTXSID":"DTXSID10237885","Formula":"C21H29N5O6S","All.Compound.Names":"Adp-597|Dtxsid10237885|897732-93-3","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.596,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.613,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.106,"logWSol.Reference":"EPA-CCD-OPERA","MP":208,"MP.Reference":"EPA-CCD-OPERA","MW":479.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"26,11.5,58.6","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"897732-93-3"}
{"Compound":"5,6-dichloro-1,2-dimethylbenzimidazole","CAS":"2818-64-6","CAS.Checksum":true,"DTXSID":"DTXSID10357037","Formula":"C9H8Cl2N2","All.Compound.Names":"5,6-dichloro-1,2-dimethylbenzimidazole|Dtxsid10357037|2818-64-6","logHenry":-3.946,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.266,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.192,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.611,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.51,"MP.Reference":"EPA-CCD-OPERA","MW":215.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"7.98,3.54,18","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"2818-64-6"}
{"Compound":"Endomorphin 1","CAS":"189388-22-5","CAS.Checksum":true,"DTXSID":"DTXSID10415505","Formula":"C34H38N6O5","All.Compound.Names":"Endomorphin 1|Dtxsid10415505|189388-22-5","logHenry":-10.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.461,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.105,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.061,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.6,"MP.Reference":"EPA-CCD-OPERA","MW":610.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.56,0.11,2.84","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"189388-22-5"}
{"Compound":"2-[4-bromo-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetic acid","CAS":"870809-73-7","CAS.Checksum":true,"DTXSID":"DTXSID10469987","Formula":"C18H13BrN2O4","All.Compound.Names":"2-[4-bromo-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetic acid|Dtxsid10469987|870809-73-7","logHenry":-9.092,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.72,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.635,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.869,"logWSol.Reference":"EPA-CCD-OPERA","MP":216,"MP.Reference":"EPA-CCD-OPERA","MW":401.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.72","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"8.7,3.86,19.6","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"870809-73-7"}
{"Compound":"5-hydoxyisophthalic acid","CAS":"618-83-7","CAS.Checksum":true,"DTXSID":"DTXSID1060687","Formula":"C8H6O5","All.Compound.Names":"5-hydoxyisophthalic acid|Dtxsid1060687|618-83-7","logHenry":-10.15,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9264,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.199,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.916,"logWSol.Reference":"EPA-CCD-OPERA","MP":292.9,"MP.Reference":"EPA-CCD-OPERA","MW":182.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.251,0.0495,1.28","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"618-83-7"}
{"Compound":"Ortataxel","CAS":"186348-23-2","CAS.Checksum":true,"DTXSID":"DTXSID10870170","Formula":"C44H57NO17","All.Compound.Names":"Ortataxel|Dtxsid10870170|186348-23-2","logHenry":-10.1,"logHenry.Reference":"OPERA29","logP":2.55,"logP.Reference":"OPERA29","logWSol":-4.86,"logWSol.Reference":"OPERA29","MP":192,"MP.Reference":"OPERA29","MW":871.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"2.8,1.24,6.31","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"186348-23-2"}
{"Compound":"Apratastat","CAS":"287405-51-0","CAS.Checksum":true,"DTXSID":"DTXSID10870312","Formula":"C17H22N2O6S2","All.Compound.Names":"Apratastat|Dtxsid10870312|287405-51-0","logHenry":-10.25,"logHenry.Reference":"OPERA29","logP":2.27,"logP.Reference":"OPERA29","logWSol":-1.47,"logWSol.Reference":"OPERA29","MP":194,"MP.Reference":"OPERA29","MW":414.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"2.2,0.976,4.96","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"287405-51-0"}
{"Compound":"1-methyl-2-amino-5-chlorobenzimidazole","CAS":"103748-25-0","CAS.Checksum":true,"DTXSID":"DTXSID10879360","Formula":"C8H8ClN3","All.Compound.Names":"1-methyl-2-amino-5-chlorobenzimidazole|Dtxsid10879360|103748-25-0","logHenry":-8.53,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.088,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.712,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.444,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.9,"MP.Reference":"EPA-CCD-OPERA","MW":181.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"5.21,2.31,11.7","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"103748-25-0"}
{"Compound":"Linagliptin","CAS":"668270-12-0","CAS.Checksum":true,"DTXSID":"DTXSID201021653","Formula":"C25H28N8O2","All.Compound.Names":"Linagliptin|668270-12-0","logHenry":-7.25,"logHenry.Reference":"OPERA29","logP":2.37,"logP.Reference":"OPERA29","logWSol":-3.61,"logWSol.Reference":"OPERA29","MP":173,"MP.Reference":"OPERA29","MW":472.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.9","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.8,0.158,4.06","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"668270-12-0"}
{"Compound":"3-amino-6-[2-fluoro-4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-n-3-pyridinyl-2-pyrazinecarboxamide","CAS":"486424-43-5","CAS.Checksum":true,"DTXSID":"DTXSID201114062","Formula":"C21H22FN7O3S","All.Compound.Names":"3-amino-6-[2-fluoro-4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-n-3-pyridinyl-2-pyrazinecarboxamide|Dtxsid201114062|486424-43-5","logHenry":-10.6,"logHenry.Reference":"OPERA29","logP":1.78,"logP.Reference":"OPERA29","logWSol":-3.3,"logWSol.Reference":"OPERA29","MP":332,"MP.Reference":"OPERA29","MW":471.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"11,4.88,24.8","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"486424-43-5"}
{"Compound":"Tirofiban","CAS":"144494-65-5","CAS.Checksum":true,"DTXSID":"DTXSID20162730","Formula":"C22H36N2O5S","All.Compound.Names":"Tirofiban|144494-65-5|Dtxsid20162730","logHenry":-7.696,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.631,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.725,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.882,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.8,"MP.Reference":"EPA-CCD-OPERA","MW":440.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.01,0.00197,0.0508","Human.Caco2.Pab.Reference":"ChEMBL","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"144494-65-5"}
{"Compound":"Indole-2-carboxylic acid","CAS":"1477-50-5","CAS.Checksum":true,"DTXSID":"DTXSID20163782","Formula":"C9H7NO2","All.Compound.Names":"Indole-2-carboxylic acid|Dtxsid20163782|1477-50-5","logHenry":-7.993,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.306,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.783,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.999,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.3,"MP.Reference":"EPA-CCD-OPERA","MW":161.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"22.9,10.2,51.6","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"1477-50-5"}
{"Compound":"4,5-diamino-1-(2-hydroxyethyl)pyrazole sulfate","CAS":"155601-30-2","CAS.Checksum":true,"DTXSID":"DTXSID20165928","Formula":"C5H12N4O5S","All.Compound.Names":"4,5-diamino-1-(2-hydroxyethyl)pyrazole sulfate|Dtxsid20165928|155601-30-2","logHenry":-9.794,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7003,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.191,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.039,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.9,"MP.Reference":"EPA-CCD-OPERA","MW":240.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.72","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"21.3,9.45,48","Human.Caco2.Pab.Reference":"Obringer","Chemical.Class":"","_row":"155601-30-2"}
{"Compound":"6-amino-m-cresol","CAS":"2835-98-5","CAS.Checksum":true,"DTXSID":"DTXSID20182594","Formula":"C7H9NO","All.Compound.Names":"6-amino-m-cresol|Dtxsid20182594|2835-98-5","logHenry":-7.298,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9173,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.862,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.531,"logWSol.Reference":"EPA-CCD-OPERA","MP":147.3,"MP.Reference":"EPA-CCD-OPERA","MW":123.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.85","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"130,57.7,293","Human.Caco2.Pab.Reference":"Obringer","Chemical.Class":"","_row":"2835-98-5"}
{"Compound":"Bms-433771","CAS":"543700-68-1","CAS.Checksum":true,"DTXSID":"DTXSID20202746","Formula":"C21H23N5O2","All.Compound.Names":"Bms-433771|Dtxsid20202746|543700-68-1","logHenry":-7.606,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.853,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.414,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.495,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.2,"MP.Reference":"EPA-CCD-OPERA","MW":377.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"13,5.77,29.3","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"543700-68-1"}
{"Compound":"Safotibant","CAS":"633698-99-4","CAS.Checksum":true,"DTXSID":"DTXSID20212769","Formula":"C25H34N4O5S","All.Compound.Names":"Safotibant|Dtxsid20212769|633698-99-4","logHenry":-7.475,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.433,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.786,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.594,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.2,"MP.Reference":"EPA-CCD-OPERA","MW":502.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.3,0.577,2.93","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"633698-99-4"}
{"Compound":"Baicalein","CAS":"491-67-8","CAS.Checksum":true,"DTXSID":"DTXSID2022389","Formula":"C15H10O5","All.Compound.Names":"Baicalein|Dtxsid2022389|491-67-8","logHenry":-10.1,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.948,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.293,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.848,"logWSol.Reference":"EPA-CCD-OPERA","MP":279.2,"MP.Reference":"EPA-CCD-OPERA","MW":270.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.55,1.57,7.99","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"491-67-8"}
{"Compound":"Faldaprevir","CAS":"801283-95-4","CAS.Checksum":true,"DTXSID":"DTXSID20230084","Formula":"C40H49BrN6O9S","All.Compound.Names":"Faldaprevir|Dtxsid20230084|801283-95-4","logHenry":-10.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.88,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.713,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.989,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.4,"MP.Reference":"EPA-CCD-OPERA","MW":869.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"8.7,3.86,19.6","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"801283-95-4"}
{"Compound":"Hydroxyethyl-3,4-methylenedioxyaniline hcl","CAS":"94158-14-2","CAS.Checksum":true,"DTXSID":"DTXSID20240825","Formula":"C9H12ClNO3","All.Compound.Names":"Hydroxyethyl-3,4-methylenedioxyaniline hcl|Dtxsid20240825|94158-14-2","logHenry":-7.092,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7952,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.867,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.413,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.8,"MP.Reference":"EPA-CCD-OPERA","MW":217.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"83.1,36.9,187","Human.Caco2.Pab.Reference":"Obringer","Chemical.Class":"","_row":"94158-14-2"}
{"Compound":"9-chloroindolo[2,1-b]quinazoline-6,12-dione","CAS":"77603-39-5","CAS.Checksum":true,"DTXSID":"DTXSID20319722","Formula":"C15H7ClN2O2","All.Compound.Names":"9-chloroindolo[2,1-b]quinazoline-6,12-dione|Dtxsid20319722|77603-39-5","logHenry":-8.311,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.621,"logP.Reference":"EPA-CCD-OPERA","logPwa":8,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.245,"logWSol.Reference":"EPA-CCD-OPERA","MP":151.2,"MP.Reference":"EPA-CCD-OPERA","MW":282.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.19","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"4,1.78,9.01","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"77603-39-5"}
{"Compound":"5,6-dimethylxanthenone-4-acetic acid","CAS":"117570-53-3","CAS.Checksum":true,"DTXSID":"DTXSID2040949","Formula":"C17H14O4","All.Compound.Names":"5,6-dimethylxanthenone-4-acetic acid|Dtxsid2040949|117570-53-3","logHenry":-8.968,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.418,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.683,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.812,"logWSol.Reference":"EPA-CCD-OPERA","MP":235.5,"MP.Reference":"EPA-CCD-OPERA","MW":282.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3,1.33,6.76","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"117570-53-3"}
{"Compound":"1h-benzimidazole, 5-chloro-1-methyl-2-(methylthio)-","CAS":"145543-38-0","CAS.Checksum":true,"DTXSID":"DTXSID20434520","Formula":"C9H9ClN2S","All.Compound.Names":"1h-benzimidazole, 5-chloro-1-methyl-2-(methylthio)-|Dtxsid20434520|145543-38-0","logHenry":-3.847,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.366,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.457,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.458,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.79,"MP.Reference":"EPA-CCD-OPERA","MW":212.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"7.59,3.37,17.1","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"145543-38-0"}
{"Compound":"1h-indole-3-ethanol","CAS":"526-55-6","CAS.Checksum":true,"DTXSID":"DTXSID2060173","Formula":"C10H11NO","All.Compound.Names":"1h-indole-3-ethanol|Dtxsid2060173|526-55-6","logHenry":-7.137,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.239,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.874,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.56,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.23,"MP.Reference":"EPA-CCD-OPERA","MW":161.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"57.5,25.5,130","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"526-55-6"}
{"Compound":"Liquiritin apioside","CAS":"74639-14-8","CAS.Checksum":true,"DTXSID":"DTXSID20904894","Formula":"C26H30O13","All.Compound.Names":"Liquiritin apioside|Dtxsid20904894|74639-14-8","logHenry":-10.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3936,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.955,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.279,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.6,"MP.Reference":"EPA-CCD-OPERA","MW":550.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.52","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.0776,0.0153,0.394","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"74639-14-8"}
{"Compound":"3-(2-aminopropoxy)-2,4-dimethylphenol","CAS":"129417-37-4","CAS.Checksum":true,"DTXSID":"DTXSID20926399","Formula":"C11H17NO2","All.Compound.Names":"3-(2-aminopropoxy)-2,4-dimethylphenol|Dtxsid20926399|129417-37-4","logHenry":-6.847,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.5,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.595,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.601,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.65,"MP.Reference":"EPA-CCD-OPERA","MW":195.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.55","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"301,133,677","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"129417-37-4"}
{"Compound":"Ibodutant","CAS":"522664-63-7","CAS.Checksum":true,"DTXSID":"DTXSID20966639","Formula":"C37H48N4O4S","All.Compound.Names":"Ibodutant|Dtxsid20966639|522664-63-7","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.259,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.304,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.678,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.6,"MP.Reference":"EPA-CCD-OPERA","MW":644.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.14","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"5.1,2.26,11.5","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"522664-63-7"}
{"Compound":"Dextrorphan","CAS":"125-73-5","CAS.Checksum":true,"DTXSID":"DTXSID301014178","Formula":"C17H23NO","All.Compound.Names":"Dextrorphan|Dtxsid301014178|125-73-5","logHenry":-7.962,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.112,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.177,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.386,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.4,"MP.Reference":"EPA-CCD-OPERA","MW":257.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"18,8,40.6","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"125-73-5"}
{"Compound":"N-(3-((1r,2s,7r,8s)-3-((4-fluorophenyl)methyl)-6-hydroxy-4-oxo-3-azatricyclo (6.2.1.02,7)undec-5-en-5-yl)-1,1-dioxo-1,4-dihydro-1lambda6,2,4-benzothiadiazin-7- yl)methanesulfonamide","CAS":"1071517-39-9","CAS.Checksum":true,"DTXSID":"DTXSID301029850","Formula":"C25H25FN4O6S2","All.Compound.Names":"N-(3-((1r,2s,7r,8s)-3-((4-fluorophenyl)methyl)-6-hydroxy-4-oxo-3-azatricyclo (6.2.1.02,7)undec-5-en-5-yl)-1,1-dioxo-1,4-dihydro-1lambda6,2,4-benzothiadiazin-7- yl)methanesulfonamide|Dtxsid301029850|1071517-39-9","logHenry":-12.37,"logHenry.Reference":"OPERA29","logP":1.04,"logP.Reference":"OPERA29","logWSol":-3.29,"logWSol.Reference":"OPERA29","MP":239,"MP.Reference":"OPERA29","MW":560.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.3,0.577,2.93","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"1071517-39-9"}
{"Compound":"Bicyclol","CAS":"118159-48-1","CAS.Checksum":true,"DTXSID":"DTXSID30152026","Formula":"C19H18O9","All.Compound.Names":"Bicyclol|Dtxsid30152026|118159-48-1","logHenry":-10.29,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.008,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.394,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.454,"logWSol.Reference":"EPA-CCD-OPERA","MP":180.5,"MP.Reference":"EPA-CCD-OPERA","MW":390.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"20.9,9.27,47.1","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"118159-48-1"}
{"Compound":"7-hydroxyflavone","CAS":"6665-86-7","CAS.Checksum":true,"DTXSID":"DTXSID3022328","Formula":"C15H10O3","All.Compound.Names":"7-hydroxyflavone|Dtxsid3022328|6665-86-7","logHenry":-9.026,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.614,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.037,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.24,"logWSol.Reference":"EPA-CCD-OPERA","MP":246,"MP.Reference":"EPA-CCD-OPERA","MW":238.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.8,1.69,8.57","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"6665-86-7"}
{"Compound":"Olopatadine","CAS":"113806-05-6","CAS.Checksum":true,"DTXSID":"DTXSID3023390","Formula":"C21H23NO3","All.Compound.Names":"Olopatadine|Dtxsid3023390|113806-05-6","logHenry":-8.771,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.611,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.881,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.144,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.2,"MP.Reference":"EPA-CCD-OPERA","MW":337.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"9.77,4.34,22","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"113806-05-6"}
{"Compound":"3-aminothieno[2,3-b]pyridine-2-carboxamide","CAS":"55557-48-7","CAS.Checksum":true,"DTXSID":"DTXSID30326861","Formula":"C8H7N3OS","All.Compound.Names":"3-aminothieno[2,3-b]pyridine-2-carboxamide|Dtxsid30326861|55557-48-7","logHenry":-8.803,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4906,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.924,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.326,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.9,"MP.Reference":"EPA-CCD-OPERA","MW":193.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"12.8,5.68,28.8","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"55557-48-7"}
{"Compound":"2-trifluoromethyl-1h-benzoimidazole-5-carboxylic acid","CAS":"82791-93-3","CAS.Checksum":true,"DTXSID":"DTXSID30349419","Formula":"C9H5F3N2O2","All.Compound.Names":"2-trifluoromethyl-1h-benzoimidazole-5-carboxylic acid|Dtxsid30349419|82791-93-3","logHenry":-6.988,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.195,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.886,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.683,"logWSol.Reference":"EPA-CCD-OPERA","MP":208.9,"MP.Reference":"EPA-CCD-OPERA","MW":230.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.21","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.57,0.112,2.89","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"82791-93-3"}
{"Compound":"1-methyl-1h-indole-3-carbonitrile","CAS":"24662-37-1","CAS.Checksum":true,"DTXSID":"DTXSID30367996","Formula":"C10H8N2","All.Compound.Names":"1-methyl-1h-indole-3-carbonitrile|Dtxsid30367996|24662-37-1","logHenry":-4.007,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.721,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.988,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.43,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.7,"MP.Reference":"EPA-CCD-OPERA","MW":156.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"36.7,16.3,82.7","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"24662-37-1"}
{"Compound":"E 2012","CAS":"870843-42-8","CAS.Checksum":true,"DTXSID":"DTXSID30468614","Formula":"C25H26FN3O2","All.Compound.Names":"E 2012|Dtxsid30468614|870843-42-8","logHenry":-8.694,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.133,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.544,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.421,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.9,"MP.Reference":"EPA-CCD-OPERA","MW":419.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"57.5,25.5,130","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"870843-42-8"}
{"Compound":"Benzoic acid, 3,4,5-trihydroxy-, methyl ester","CAS":"99-24-1","CAS.Checksum":true,"DTXSID":"DTXSID3059189","Formula":"C8H8O5","All.Compound.Names":"Benzoic acid, 3,4,5-trihydroxy-, methyl ester|Dtxsid3059189|99-24-1","logHenry":-9.469,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8599,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.265,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.242,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.9,"MP.Reference":"EPA-CCD-OPERA","MW":184.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"2.88,1.28,6.5","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"99-24-1"}
{"Compound":"2-[4-(methylsulfanyl)anilino]-1-{[2-(trifluoromethyl)phenyl]methyl}-1h-benzimidazole-5-carboxamide","CAS":"1092829-83-8","CAS.Checksum":true,"DTXSID":"DTXSID30669861","Formula":"C23H19F3N4OS","All.Compound.Names":"2-[4-(methylsulfanyl)anilino]-1-{[2-(trifluoromethyl)phenyl]methyl}-1h-benzimidazole-5-carboxamide|Dtxsid30669861|1092829-83-8","logHenry":-10.42,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.44,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.248,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.842,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.5,"MP.Reference":"EPA-CCD-OPERA","MW":456.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"53,23.5,119","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"1092829-83-8"}
{"Compound":"Dl-mannitol","CAS":"87-78-5","CAS.Checksum":true,"DTXSID":"DTXSID30858955","Formula":"C6H14O6","All.Compound.Names":"Dl-mannitol|87-78-5|Dtxsid30858955","logHenry":-10.04,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.38,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.84,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5196,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.3,"MP.Reference":"EPA-CCD-OPERA","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.45,0.0887,2.29","Human.Caco2.Pab.Reference":"Lanevskij","Human.Foral":0.07,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"87-78-5"}
{"Compound":"Ketotifen fumarate","CAS":"34580-14-8","CAS.Checksum":true,"DTXSID":"DTXSID30892970","Formula":"C23H23NO5S","All.Compound.Names":"Ketotifen fumarate|Dtxsid30892970|34580-14-8","logHenry":-5.327,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6697,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.776,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.087,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.8,"MP.Reference":"EPA-CCD-OPERA","MW":425.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"11.1,4.93,25","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"34580-14-8"}
{"Compound":"N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-{n-[(tert-butylamino)(hydroxy)methylidene]-3-methylvalyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboximidic acid","CAS":"394730-60-0","CAS.Checksum":true,"DTXSID":"DTXSID30960103","Formula":"C27H45N5O5","All.Compound.Names":"N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-{n-[(tert-butylamino)(hydroxy)methylidene]-3-methylvalyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboximidic acid|Dtxsid30960103|394730-60-0","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6023,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.857,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.077,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.4,"MP.Reference":"EPA-CCD-OPERA","MW":519.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.02","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.6,0.118,3.05","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"394730-60-0"}
{"Compound":"N-[(3s)-1-[(1s,2r,4r)-4-[methyl(1-methylethyl)amino]-2-[(phenylsulfonyl)methyl]cyclohexyl]-2,5-dioxo-3-pyrrolidinyl]-3-(trifluoromethyl)benzamide","CAS":"746669-62-5","CAS.Checksum":true,"DTXSID":"DTXSID401100653","Formula":"C29H34F3N3O5S","All.Compound.Names":"N-[(3s)-1-[(1s,2r,4r)-4-[methyl(1-methylethyl)amino]-2-[(phenylsulfonyl)methyl]cyclohexyl]-2,5-dioxo-3-pyrrolidinyl]-3-(trifluoromethyl)benzamide|Dtxsid401100653|746669-62-5","logHenry":-9.89,"logHenry.Reference":"OPERA29","logP":4.33,"logP.Reference":"OPERA29","logWSol":-5.91,"logWSol.Reference":"OPERA29","MP":207,"MP.Reference":"OPERA29","MW":593.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"2.2,0.976,4.96","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"746669-62-5"}
{"Compound":"(3r,4s)-tetrahydro-n-hydroxy-4-[[4-[[2-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl]benzoyl]amino]-3-furancarboxamide","CAS":"503166-62-9","CAS.Checksum":true,"DTXSID":"DTXSID401105722","Formula":"C21H19F3N4O4","All.Compound.Names":"(3r,4s)-tetrahydro-n-hydroxy-4-[[4-[[2-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl]benzoyl]amino]-3-furancarboxamide|Dtxsid401105722|503166-62-9","logHenry":-11.66,"logHenry.Reference":"OPERA29","logP":2.52,"logP.Reference":"OPERA29","logWSol":-4.08,"logWSol.Reference":"OPERA29","MP":213,"MP.Reference":"OPERA29","MW":448.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.57","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.1,0.0197,0.508","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"503166-62-9"}
{"Compound":"1-cyclopropyl-1,3-dihydro-3-[[1-(5-hydroxypentyl)-1h-benzimidazol-2-yl]methyl]-2h-imidazo[4,5-c]pyridin-2-one","CAS":"380603-16-7","CAS.Checksum":true,"DTXSID":"DTXSID401108938","Formula":"C22H25N5O2","All.Compound.Names":"1-cyclopropyl-1,3-dihydro-3-[[1-(5-hydroxypentyl)-1h-benzimidazol-2-yl]methyl]-2h-imidazo[4,5-c]pyridin-2-one|Dtxsid401108938|380603-16-7","logHenry":-8.63,"logHenry.Reference":"OPERA29","logP":2.44,"logP.Reference":"OPERA29","logWSol":-4.2,"logWSol.Reference":"OPERA29","MP":194,"MP.Reference":"OPERA29","MW":391.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.07","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"9.6,4.26,21.6","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"380603-16-7"}
{"Compound":"11-keto-?-boswellic acid","CAS":"17019-92-0","CAS.Checksum":true,"DTXSID":"DTXSID401313244","Formula":"C30H46O4","All.Compound.Names":"11-keto-?-boswellic acid|Dtxsid401313244|17019-92-0","logHenry":-8.71,"logHenry.Reference":"OPERA29","logP":3.28,"logP.Reference":"OPERA29","logWSol":-4.34,"logWSol.Reference":"OPERA29","MP":283,"MP.Reference":"OPERA29","MW":470.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.2,1.42,7.21","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"17019-92-0"}
{"Compound":"2-amino-5-ethylphenol hydrochloride","CAS":"149861-22-3","CAS.Checksum":true,"DTXSID":"DTXSID40164418","Formula":"C8H12ClNO","All.Compound.Names":"2-amino-5-ethylphenol hydrochloride|Dtxsid40164418|149861-22-3","logHenry":-7.282,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9324,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.779,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.707,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.9,"MP.Reference":"EPA-CCD-OPERA","MW":173.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"8.9,3.95,20.1","Human.Caco2.Pab.Reference":"Obringer","Chemical.Class":"","_row":"149861-22-3"}
{"Compound":"1-methyl-1,3-dihydro-2h-benzimidazole-2-thione","CAS":"2360-22-7","CAS.Checksum":true,"DTXSID":"DTXSID40178252","Formula":"C8H8N2S","All.Compound.Names":"1-methyl-1,3-dihydro-2h-benzimidazole-2-thione|Dtxsid40178252|2360-22-7","logHenry":-7.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.265,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.386,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.411,"logWSol.Reference":"EPA-CCD-OPERA","MP":138.8,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"8.14,3.61,18.3","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"2360-22-7"}
{"Compound":"Telaprevir","CAS":"402957-28-2","CAS.Checksum":true,"DTXSID":"DTXSID40193304","Formula":"C36H53N7O6","All.Compound.Names":"Telaprevir|Dtxsid40193304|402957-28-2","logHenry":-10.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.519,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.042,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.969,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.9,"MP.Reference":"EPA-CCD-OPERA","MW":679.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.57","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"6.11,2.71,13.8","Human.Caco2.Pab.Reference":"ChEMBL,Lanevskij","Chemical.Class":"","_row":"402957-28-2"}
{"Compound":"Liquiritoside","CAS":"551-15-5","CAS.Checksum":true,"DTXSID":"DTXSID40203619","Formula":"C21H22O9","All.Compound.Names":"Liquiritoside|Dtxsid40203619|Liquiritin|551-15-5","logHenry":-10.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7496,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.744,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.851,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.9,"MP.Reference":"EPA-CCD-OPERA","MW":418.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.457,0.09,2.32","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"551-15-5"}
{"Compound":"Hesperetin","CAS":"520-33-2","CAS.Checksum":true,"DTXSID":"DTXSID4022319","Formula":"C16H14O6","All.Compound.Names":"Hesperetin|520-33-2|Dtxsid4022319","logHenry":-9.05,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.599,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.666,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.672,"logWSol.Reference":"EPA-CCD-OPERA","MP":227.7,"MP.Reference":"EPA-CCD-OPERA","MW":302.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"46.9,20.8,106","Human.Caco2.Pab.Reference":"Lanevskij,ChEMBL","Human.Foral":0.2,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"520-33-2"}
{"Compound":"7,4'-dimethoxyflavone","CAS":"20979-50-4","CAS.Checksum":true,"DTXSID":"DTXSID40332791","Formula":"C17H14O4","All.Compound.Names":"7,4'-dimethoxyflavone|Dtxsid40332791","logHenry":-7.585,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.173,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.092,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.879,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.5,"MP.Reference":"EPA-CCD-OPERA","MW":282.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"25.1,11.1,56.6","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"20979-50-4"}
{"Compound":"Methanesulfonamide, n-[2-(4-methoxyphenoxy)-4-nitrophenyl]-","CAS":"51765-76-5","CAS.Checksum":true,"DTXSID":"DTXSID40432386","Formula":"C14H14N2O6S","All.Compound.Names":"Methanesulfonamide, n-[2-(4-methoxyphenoxy)-4-nitrophenyl]-|Dtxsid40432386|51765-76-5","logHenry":-8.336,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.43,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.504,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.297,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.1,"MP.Reference":"EPA-CCD-OPERA","MW":338.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"25,11.1,56.4","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"51765-76-5"}
{"Compound":"Ethyl 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylate","CAS":"105404-65-7","CAS.Checksum":true,"DTXSID":"DTXSID40634520","Formula":"C19H22FN3O3","All.Compound.Names":"Ethyl 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylate|Dtxsid40634520|105404-65-7","logHenry":-11.08,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1012,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.937,"logWSol.Reference":"EPA-CCD-OPERA","MP":139.6,"MP.Reference":"EPA-CCD-OPERA","MW":359.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.78,1.68,8.53","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"105404-65-7"}
{"Compound":"6-chloro-7-[4-(trifluoromethoxy)anilino]isoquinoline-5,8-dione","CAS":"296776-08-4","CAS.Checksum":true,"DTXSID":"DTXSID40658943","Formula":"C16H8ClF3N2O3","All.Compound.Names":"6-chloro-7-[4-(trifluoromethoxy)anilino]isoquinoline-5,8-dione|Dtxsid40658943|296776-08-4","logHenry":-8.516,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.876,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.065,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.251,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.7,"MP.Reference":"EPA-CCD-OPERA","MW":368.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"2.24,0.994,5.05","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"296776-08-4"}
{"Compound":"3-{5-[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]-2-(trifluoromethyl)phenyl}-4-(1h-indol-3-yl)-1h-pyrrole-2,5-dione","CAS":"1260181-14-3","CAS.Checksum":true,"DTXSID":"DTXSID40678984","Formula":"C27H25F3N4O4","All.Compound.Names":"3-{5-[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]-2-(trifluoromethyl)phenyl}-4-(1h-indol-3-yl)-1h-pyrrole-2,5-dione|Dtxsid40678984|1260181-14-3","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.73,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.768,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.969,"logWSol.Reference":"EPA-CCD-OPERA","MP":181.2,"MP.Reference":"EPA-CCD-OPERA","MW":526.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.86","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3,1.33,6.76","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"1260181-14-3"}
{"Compound":"Acetyltryptophan","CAS":"87-32-1","CAS.Checksum":true,"DTXSID":"DTXSID40861672","Formula":"C13H14N2O3","All.Compound.Names":"Acetyltryptophan|Dtxsid40861672|87-32-1","logHenry":-10.44,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.025,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.218,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.311,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.5,"MP.Reference":"EPA-CCD-OPERA","MW":246.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.1,0.0197,0.508","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"87-32-1"}
{"Compound":"1-(4-benzoyl-1-piperazinyl)-2-[4-fluoro-7-(3-methyl-1h-1,2,4-triazol-1-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]-1,2-ethanedione","CAS":"701213-27-6","CAS.Checksum":true,"DTXSID":"DTXSID501104846","Formula":"C23H20FN7O3","All.Compound.Names":"1-(4-benzoyl-1-piperazinyl)-2-[4-fluoro-7-(3-methyl-1h-1,2,4-triazol-1-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]-1,2-ethanedione|Dtxsid501104846|701213-27-6","logHenry":-10.11,"logHenry.Reference":"OPERA29","logP":1.7,"logP.Reference":"OPERA29","logWSol":-4.56,"logWSol.Reference":"OPERA29","MP":172,"MP.Reference":"OPERA29","MW":461.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"13.8,6.12,31.1","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"701213-27-6"}
{"Compound":"4-[1-(6-quinolinylmethyl)-1h-1,2,3-triazolo[4,5-b]pyrazin-6-yl]-1h-pyrazole-1-acetic acid","CAS":"956906-94-8","CAS.Checksum":true,"DTXSID":"DTXSID501123076","Formula":"C19H14N8O2","All.Compound.Names":"4-[1-(6-quinolinylmethyl)-1h-1,2,3-triazolo[4,5-b]pyrazin-6-yl]-1h-pyrazole-1-acetic acid|Dtxsid501123076|956906-94-8","logHenry":-9.22,"logHenry.Reference":"OPERA29","logP":2.78,"logP.Reference":"OPERA29","logWSol":-2.4,"logWSol.Reference":"OPERA29","MP":175,"MP.Reference":"OPERA29","MW":386.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.003,0.000591,0.0152","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"956906-94-8"}
{"Compound":"(10br)-9-ethyl-1,3,4,10b-tetrahydro-7-(trifluoromethyl)pyrazino[2,1-a]isoindol-6(2h)-one","CAS":"850033-84-0","CAS.Checksum":true,"DTXSID":"DTXSID501123595","Formula":"C14H15F3N2O","All.Compound.Names":"(10br)-9-ethyl-1,3,4,10b-tetrahydro-7-(trifluoromethyl)pyrazino[2,1-a]isoindol-6(2h)-one|Dtxsid501123595|850033-84-0","logHenry":-9.38,"logHenry.Reference":"OPERA29","logP":1.26,"logP.Reference":"OPERA29","logWSol":-3.47,"logWSol.Reference":"OPERA29","MP":103,"MP.Reference":"OPERA29","MW":284.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"21.2,9.41,47.8","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"850033-84-0"}
{"Compound":"5,7-dimethoxyflavone","CAS":"21392-57-4","CAS.Checksum":true,"DTXSID":"DTXSID50175656","Formula":"C17H14O4","All.Compound.Names":"5,7-dimethoxyflavone|Dtxsid50175656","logHenry":-7.571,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.144,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.133,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.158,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.6,"MP.Reference":"EPA-CCD-OPERA","MW":282.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"23.4,10.4,52.8","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"21392-57-4"}
{"Compound":"4',7-dihydroxyflavone","CAS":"2196-14-7","CAS.Checksum":true,"DTXSID":"DTXSID50176365","Formula":"C15H10O4","All.Compound.Names":"4',7-dihydroxyflavone|Dtxsid50176365|2196-14-7","logHenry":-9.891,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.24,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.929,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.472,"logWSol.Reference":"EPA-CCD-OPERA","MP":278.3,"MP.Reference":"EPA-CCD-OPERA","MW":254.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"6.17,2.74,13.9","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"2196-14-7"}
{"Compound":"Secoisolariciresinol","CAS":"29388-59-8","CAS.Checksum":true,"DTXSID":"DTXSID50183615","Formula":"C20H26O6","All.Compound.Names":"Secoisolariciresinol|Dtxsid50183615|29388-59-8","logHenry":-8.546,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.918,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.502,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.447,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.7,"MP.Reference":"EPA-CCD-OPERA","MW":362.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"8,3.55,18","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"29388-59-8"}
{"Compound":"Glycylsarcosine","CAS":"29816-01-1","CAS.Checksum":true,"DTXSID":"DTXSID50183953","Formula":"C5H10N2O3","All.Compound.Names":"Glycylsarcosine|Dtxsid50183953|29816-01-1","logHenry":-9.378,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.221,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.068,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.06257,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.1,"MP.Reference":"EPA-CCD-OPERA","MW":146.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.28","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"11,4.88,24.8","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"29816-01-1"}
{"Compound":"Hc blue no.16","CAS":"502453-61-4","CAS.Checksum":true,"DTXSID":"DTXSID50198249","Formula":"C23H30BrN3O2","All.Compound.Names":"Hc blue no.16|Dtxsid50198249|502453-61-4","logHenry":-8.772,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.026,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.6,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.325,"logWSol.Reference":"EPA-CCD-OPERA","MP":190.3,"MP.Reference":"EPA-CCD-OPERA","MW":460.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.7,0.754,3.83","Human.Caco2.Pab.Reference":"Obringer","Chemical.Class":"","_row":"502453-61-4"}
{"Compound":"Indole-3-carboxylic acid","CAS":"771-50-6","CAS.Checksum":true,"DTXSID":"DTXSID50227886","Formula":"C9H7NO2","All.Compound.Names":"Indole-3-carboxylic acid|Dtxsid50227886|771-50-6","logHenry":-7.993,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.988,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.101,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.001,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.3,"MP.Reference":"EPA-CCD-OPERA","MW":161.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"27.5,12.2,62.1","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"771-50-6"}
{"Compound":"2-(2-chlorophenyl)-4-methyl-5-[(pyridin-2-yl)methyl]-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione","CAS":"955272-06-7","CAS.Checksum":true,"DTXSID":"DTXSID50588686","Formula":"C19H15ClN4O2","All.Compound.Names":"2-(2-chlorophenyl)-4-methyl-5-[(pyridin-2-yl)methyl]-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione|Dtxsid50588686|955272-06-7","logHenry":-7.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.169,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.532,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.301,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.8,"MP.Reference":"EPA-CCD-OPERA","MW":366.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"21.4,9.5,48.2","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"955272-06-7"}
{"Compound":"2-(4-methoxyanilino)-1-{[2-(trifluoromethyl)phenyl]methyl}-1h-benzimidazole-5-carboxamide","CAS":"1092829-79-2","CAS.Checksum":true,"DTXSID":"DTXSID50648931","Formula":"C23H19F3N4O2","All.Compound.Names":"2-(4-methoxyanilino)-1-{[2-(trifluoromethyl)phenyl]methyl}-1h-benzimidazole-5-carboxamide|Dtxsid50648931|1092829-79-2","logHenry":-10.46,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.952,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.713,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.291,"logWSol.Reference":"EPA-CCD-OPERA","MP":184,"MP.Reference":"EPA-CCD-OPERA","MW":440.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"67,29.7,151","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"1092829-79-2"}
{"Compound":"2,5-diaminotoluene sulfate","CAS":"615-50-9","CAS.Checksum":true,"DTXSID":"DTXSID50872532","Formula":"C7H12N2O4S","All.Compound.Names":"2,5-diaminotoluene sulfate|Dtxsid50872532|615-50-9","logHenry":-7.242,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7272,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.129,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5075,"logWSol.Reference":"EPA-CCD-OPERA","MP":162,"MP.Reference":"EPA-CCD-OPERA","MW":220.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"143,63.4,322","Human.Caco2.Pab.Reference":"Obringer","Chemical.Class":"","_row":"615-50-9"}
{"Compound":"Diltiazem","CAS":"34933-06-7","CAS.Checksum":true,"DTXSID":"DTXSID50881104","Formula":"C22H26N2O4S","All.Compound.Names":"Diltiazem|34933-06-7|Dtxsid50881104","logHenry":-8.754,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.702,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.981,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.956,"logWSol.Reference":"EPA-CCD-OPERA","MP":209.6,"MP.Reference":"EPA-CCD-OPERA","MW":414.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"39.2,17.4,88.4","Human.Caco2.Pab.Reference":"Lanevskij","Human.Fabs":0.9,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.5,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.84,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.38,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"34933-06-7"}
{"Compound":"Elagolix sodium","CAS":"832720-36-2","CAS.Checksum":true,"DTXSID":"DTXSID601003247","Formula":"C32H29F5N3NaO5","All.Compound.Names":"Elagolix sodium|Dtxsid601003247|832720-36-2","logHenry":-8.058,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.186,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.545,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.149,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.8,"MP.Reference":"EPA-CCD-OPERA","MW":653.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"2.8,1.24,6.31","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"832720-36-2"}
{"Compound":"8-butyl-4-hydroxy-1-methyl-7-phenyl-1h-imidazo[2,1-f]purin-2(8h)-one","CAS":"85592-05-8","CAS.Checksum":true,"DTXSID":"DTXSID601006172","Formula":"C18H19N5O2","All.Compound.Names":"8-butyl-4-hydroxy-1-methyl-7-phenyl-1h-imidazo[2,1-f]purin-2(8h)-one|Dtxsid601006172|85592-05-8","logHenry":-8.778,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.999,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.281,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.774,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.5,"MP.Reference":"EPA-CCD-OPERA","MW":337.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"42.5,18.9,95.8","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"85592-05-8"}
{"Compound":"Silvestrol","CAS":"697235-38-4","CAS.Checksum":true,"DTXSID":"DTXSID601028120","Formula":"C34H38O13","All.Compound.Names":"Silvestrol|Dtxsid601028120|697235-38-4","logHenry":-11.79,"logHenry.Reference":"OPERA29","logP":1.83,"logP.Reference":"OPERA29","logWSol":-4.36,"logWSol.Reference":"OPERA29","MP":179,"MP.Reference":"OPERA29","MW":654.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.05,0.00985,0.254","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"697235-38-4"}
{"Compound":"(2s)-[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methyl-3-quinolinyl][(2-methyl-2-propanyl)oxy]acetic acid","CAS":"1155419-89-8","CAS.Checksum":true,"DTXSID":"DTXSID601029847","Formula":"C27H26N2O4","All.Compound.Names":"(2s)-[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methyl-3-quinolinyl][(2-methyl-2-propanyl)oxy]acetic acid|Dtxsid601029847|1155419-89-8","logHenry":-8.45,"logHenry.Reference":"OPERA29","logP":5.35,"logP.Reference":"OPERA29","logWSol":-7.59,"logWSol.Reference":"OPERA29","MP":239,"MP.Reference":"OPERA29","MW":442.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"14,6.21,31.5","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"1155419-89-8"}
{"Compound":"Pentanoic acid, 4-[[(2r,4r)-4-[[(2s,4r)-4-amino-1-oxo-2-(phenylmethyl)pentyl]amino]-2,5-dimethyl-1-oxohexyl]amino]-2-propyl-, (2s,4s)-","CAS":"1258277-13-2","CAS.Checksum":true,"DTXSID":"DTXSID601101988","Formula":"C28H47N3O4","All.Compound.Names":"Pentanoic acid, 4-[[(2r,4r)-4-[[(2s,4r)-4-amino-1-oxo-2-(phenylmethyl)pentyl]amino]-2,5-dimethyl-1-oxohexyl]amino]-2-propyl-, (2s,4s)-|Dtxsid601101988|1258277-13-2","logHenry":-8.65,"logHenry.Reference":"OPERA29","logP":2.86,"logP.Reference":"OPERA29","logWSol":-4.18,"logWSol.Reference":"OPERA29","MP":138,"MP.Reference":"OPERA29","MW":489.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.0305,0.00601,0.155","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"1258277-13-2"}
{"Compound":"Fezolinetant","CAS":"1629229-37-3","CAS.Checksum":true,"DTXSID":"DTXSID601103615","Formula":"C16H15FN6OS","All.Compound.Names":"Fezolinetant|Dtxsid601103615|1629229-37-3","logHenry":-9.6,"logHenry.Reference":"OPERA29","logP":2.75,"logP.Reference":"OPERA29","logWSol":-5.38,"logWSol.Reference":"OPERA29","MP":151,"MP.Reference":"OPERA29","MW":358.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"48.7,21.6,110","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"1629229-37-3"}
{"Compound":"Acetyl-11-keto-?-boswellic acid","CAS":"67416-61-9","CAS.Checksum":true,"DTXSID":"DTXSID601303401","Formula":"C32H48O5","All.Compound.Names":"Acetyl-11-keto-?-boswellic acid|Dtxsid601303401|67416-61-9","logHenry":-7.88,"logHenry.Reference":"OPERA29","logP":4.48,"logP.Reference":"OPERA29","logWSol":-6.72,"logWSol.Reference":"OPERA29","MP":290,"MP.Reference":"OPERA29","MW":512.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.84","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"2.8,1.24,6.31","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"67416-61-9"}
{"Compound":"Idx 320","CAS":"1251165-81-7","CAS.Checksum":true,"DTXSID":"DTXSID60154659","Formula":"C37H43F3N6O7S2","All.Compound.Names":"Idx 320|Dtxsid60154659|1251165-81-7","logHenry":-8.112,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.352,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.442,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.467,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.2,"MP.Reference":"EPA-CCD-OPERA","MW":804.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.8,0.799,4.06","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"1251165-81-7"}
{"Compound":"Belotecan","CAS":"256411-32-2","CAS.Checksum":true,"DTXSID":"DTXSID60180332","Formula":"C25H27N3O4","All.Compound.Names":"Belotecan|Dtxsid60180332|256411-32-2","logHenry":-10.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.292,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.377,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.891,"logWSol.Reference":"EPA-CCD-OPERA","MP":207.3,"MP.Reference":"EPA-CCD-OPERA","MW":433.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"7.94,3.53,17.9","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"256411-32-2"}
{"Compound":"Indoleacetamide","CAS":"879-37-8","CAS.Checksum":true,"DTXSID":"DTXSID60236686","Formula":"C10H10N2O","All.Compound.Names":"Indoleacetamide|Dtxsid60236686|879-37-8","logHenry":-8.785,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7516,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.632,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.559,"logWSol.Reference":"EPA-CCD-OPERA","MP":176,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"58.9,26.1,133","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"879-37-8"}
{"Compound":"2,2'-((4-amino-3-nitrophenyl)imino)bisethanol hydrochloride","CAS":"94158-13-1","CAS.Checksum":true,"DTXSID":"DTXSID60240824","Formula":"C10H16ClN3O4","All.Compound.Names":"2,2'-((4-amino-3-nitrophenyl)imino)bisethanol hydrochloride|Dtxsid60240824|94158-13-1","logHenry":-8.711,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.095,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.391,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.9,"MP.Reference":"EPA-CCD-OPERA","MW":277.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"37.1,16.5,83.6","Human.Caco2.Pab.Reference":"Obringer","Chemical.Class":"","_row":"94158-13-1"}
{"Compound":"1,2-dimethylbenzimidazole","CAS":"2876-08-6","CAS.Checksum":true,"DTXSID":"DTXSID60310238","Formula":"C9H10N2","All.Compound.Names":"1,2-dimethylbenzimidazole|Dtxsid60310238|2876-08-6","logHenry":-3.919,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.16,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.578,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2121,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.46,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"9.03,4.01,20.3","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"2876-08-6"}
{"Compound":"Mls003115225","CAS":"14537-47-4","CAS.Checksum":true,"DTXSID":"DTXSID60311265","Formula":"C9H9ClN2","All.Compound.Names":"Mls003115225|Dtxsid60311265|14537-47-4","logHenry":-3.923,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.487,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.417,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.377,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.29,"MP.Reference":"EPA-CCD-OPERA","MW":180.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.52","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"7.8,3.46,17.6","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"14537-47-4"}
{"Compound":"Latanprost free acid","CAS":"41639-83-2","CAS.Checksum":true,"DTXSID":"DTXSID6040531","Formula":"C23H34O5","All.Compound.Names":"Latanprost free acid|Dtxsid6040531|41639-83-2","logHenry":-10,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.182,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.246,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.073,"logWSol.Reference":"EPA-CCD-OPERA","MP":111.1,"MP.Reference":"EPA-CCD-OPERA","MW":390.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.5,1.55,7.89","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"41639-83-2"}
{"Compound":"4h-thieno[3,2-b]pyrrole-5-carboxylic acid","CAS":"39793-31-2","CAS.Checksum":true,"DTXSID":"DTXSID60406887","Formula":"C7H5NO2S","All.Compound.Names":"4h-thieno[3,2-b]pyrrole-5-carboxylic acid|Dtxsid60406887|39793-31-2","logHenry":-8.475,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.359,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.72,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.462,"logWSol.Reference":"EPA-CCD-OPERA","MP":203,"MP.Reference":"EPA-CCD-OPERA","MW":167.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"47,20.9,106","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"39793-31-2"}
{"Compound":"1,1'-[(1s,2s)-1,2-diphenylethane-1,2-diyl]dipyrrolidine","CAS":"823191-88-4","CAS.Checksum":true,"DTXSID":"DTXSID60838720","Formula":"C22H28N2","All.Compound.Names":"1,1'-[(1s,2s)-1,2-diphenylethane-1,2-diyl]dipyrrolidine|Dtxsid60838720|823191-88-4","logHenry":-5.897,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.05,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.333,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.714,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.9,"MP.Reference":"EPA-CCD-OPERA","MW":320.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"13.3,5.9,30","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"823191-88-4"}
{"Compound":"Vamorolone","CAS":"13209-41-1","CAS.Checksum":true,"DTXSID":"DTXSID60927527","Formula":"C22H28O4","All.Compound.Names":"Vamorolone|Dtxsid60927527|13209-41-1","logHenry":-8.491,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.347,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.041,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.759,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.7,"MP.Reference":"EPA-CCD-OPERA","MW":356.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"11.2,4.97,25.2","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"13209-41-1"}
{"Compound":"2-amino-1-[2-(4-fluorophenyl)-3-[(4-fluorophenyl)amino]-5,6-dihydro-8,8-dimethylimidazo[1,2-a]pyrazin-7(8h)-yl]ethanone","CAS":"1261113-96-5","CAS.Checksum":true,"DTXSID":"DTXSID701105307","Formula":"C22H23F2N5O","All.Compound.Names":"2-amino-1-[2-(4-fluorophenyl)-3-[(4-fluorophenyl)amino]-5,6-dihydro-8,8-dimethylimidazo[1,2-a]pyrazin-7(8h)-yl]ethanone|Dtxsid701105307|1261113-96-5","logHenry":-10.7,"logHenry.Reference":"OPERA29","logP":4.53,"logP.Reference":"OPERA29","logWSol":-3.71,"logWSol.Reference":"OPERA29","MP":205,"MP.Reference":"OPERA29","MW":411.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.26,0.559,2.84","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"1261113-96-5"}
{"Compound":"(3s,4s)-1-(2-butyn-1-yl)-n-hydroxy-4-[[4-[(2-methyl-4-quinolinyl)methyl]benzoyl]amino]-3-pyrrolidinecarboxamide","CAS":"503169-81-1","CAS.Checksum":true,"DTXSID":"DTXSID701108218","Formula":"C27H28N4O3","All.Compound.Names":"(3s,4s)-1-(2-butyn-1-yl)-n-hydroxy-4-[[4-[(2-methyl-4-quinolinyl)methyl]benzoyl]amino]-3-pyrrolidinecarboxamide|Dtxsid701108218|503169-81-1","logHenry":-10.97,"logHenry.Reference":"OPERA29","logP":2.83,"logP.Reference":"OPERA29","logWSol":-4.65,"logWSol.Reference":"OPERA29","MP":221,"MP.Reference":"OPERA29","MW":456.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.9,0.843,4.28","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"503169-81-1"}
{"Compound":"7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine","CAS":"55023-36-4","CAS.Checksum":true,"DTXSID":"DTXSID701188254","Formula":"C11H10N4S","All.Compound.Names":"7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine|Dtxsid701188254|55023-36-4","logHenry":-7.79,"logHenry.Reference":"OPERA29","logP":2.82,"logP.Reference":"OPERA29","logWSol":-3.37,"logWSol.Reference":"OPERA29","MP":204,"MP.Reference":"OPERA29","MW":230.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.76","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"20,8.88,45.1","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"55023-36-4"}
{"Compound":"Byl-719","CAS":"1217486-61-7","CAS.Checksum":true,"DTXSID":"DTXSID70153355","Formula":"C19H22F3N5O2S","All.Compound.Names":"Byl-719|Dtxsid70153355|1217486-61-7","logHenry":-9.731,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.094,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.514,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.931,"logWSol.Reference":"EPA-CCD-OPERA","MP":191,"MP.Reference":"EPA-CCD-OPERA","MW":441.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.8,1.69,8.56","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"1217486-61-7"}
{"Compound":"5-(4-piperidyl)isoxazol-3-ol","CAS":"132033-91-1","CAS.Checksum":true,"DTXSID":"DTXSID70157318","Formula":"C8H12N2O2","All.Compound.Names":"5-(4-piperidyl)isoxazol-3-ol|Dtxsid70157318|132033-91-1","logHenry":-9.05,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1663,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.088,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.017,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.8,"MP.Reference":"EPA-CCD-OPERA","MW":168.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.01,0.00197,0.0508","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"132033-91-1"}
{"Compound":"5-((1r)-1-((11s,7r)-7-hydroxy-3,3,7,11-tetramethyltricyclo(6.3.0.0(2,4))undec-11-yl)-3-methylbutyl)-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde","CAS":"132951-90-7","CAS.Checksum":true,"DTXSID":"DTXSID70157878","Formula":"C28H40O6","All.Compound.Names":"5-((1r)-1-((11s,7r)-7-hydroxy-3,3,7,11-tetramethyltricyclo(6.3.0.0(2,4))undec-11-yl)-3-methylbutyl)-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde|Dtxsid70157878|132951-90-7","logHenry":-8.818,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.306,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.138,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.744,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.9,"MP.Reference":"EPA-CCD-OPERA","MW":472.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.65,0.732,3.72","Human.Caco2.Pab.Reference":"Lanevskij,ChEMBL","Chemical.Class":"","_row":"132951-90-7"}
{"Compound":"Gendenafil","CAS":"147676-66-2","CAS.Checksum":true,"DTXSID":"DTXSID70163777","Formula":"C19H22N4O3","All.Compound.Names":"Gendenafil|Dtxsid70163777|147676-66-2","logHenry":-11.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.227,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.198,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.211,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.1,"MP.Reference":"EPA-CCD-OPERA","MW":354.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"43,19.1,96.9","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"147676-66-2"}
{"Compound":"Dibenzyl diselenide","CAS":"1482-82-2","CAS.Checksum":true,"DTXSID":"DTXSID70163934","Formula":"C14H14Se2","All.Compound.Names":"Dibenzyl diselenide|Dtxsid70163934","logHenry":-3.705,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.038,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.836,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.446,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.35,"MP.Reference":"EPA-CCD-OPERA","MW":340.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"5.83,2.59,13.1","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"1482-82-2"}
{"Compound":"5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one","CAS":"480-11-5","CAS.Checksum":true,"DTXSID":"DTXSID70197375","Formula":"C16H12O5","All.Compound.Names":"5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one|Dtxsid70197375|480-11-5","logHenry":-9.066,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.926,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.287,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.739,"logWSol.Reference":"EPA-CCD-OPERA","MP":233.4,"MP.Reference":"EPA-CCD-OPERA","MW":284.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"8.51,3.78,19.2","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"480-11-5"}
{"Compound":"Wogonin","CAS":"632-85-9","CAS.Checksum":true,"DTXSID":"DTXSID70212557","Formula":"C16H12O5","All.Compound.Names":"Wogonin|Dtxsid70212557|632-85-9","logHenry":-9.112,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.832,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.381,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.791,"logWSol.Reference":"EPA-CCD-OPERA","MP":235.2,"MP.Reference":"EPA-CCD-OPERA","MW":284.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"11.2,4.98,25.3","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"632-85-9"}
{"Compound":"Dorzolamide","CAS":"120279-96-1","CAS.Checksum":true,"DTXSID":"DTXSID7022960","Formula":"C10H16N2O4S3","All.Compound.Names":"Dorzolamide|Dtxsid7022960|120279-96-1","logHenry":-9.941,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.02084,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.006,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.987,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.8,"MP.Reference":"EPA-CCD-OPERA","MW":324.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"5.2,2.31,11.7","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"120279-96-1"}
{"Compound":"4-hydroxypropylamino-3-nitrophenol","CAS":"92952-81-3","CAS.Checksum":true,"DTXSID":"DTXSID70239209","Formula":"C9H12N2O4","All.Compound.Names":"4-hydroxypropylamino-3-nitrophenol|Dtxsid70239209|92952-81-3","logHenry":-7.48,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5382,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.787,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.733,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.7,"MP.Reference":"EPA-CCD-OPERA","MW":212.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"77.8,34.5,175","Human.Caco2.Pab.Reference":"Obringer","Chemical.Class":"","_row":"92952-81-3"}
{"Compound":"Indolo[2,1-b]quinazoline-6,12-dione, 8-chloro-3-fluoro-","CAS":"169037-48-3","CAS.Checksum":true,"DTXSID":"DTXSID70333438","Formula":"C15H6ClFN2O2","All.Compound.Names":"Indolo[2,1-b]quinazoline-6,12-dione, 8-chloro-3-fluoro-|Dtxsid70333438|169037-48-3","logHenry":-8.374,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.742,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.872,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.327,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.1,"MP.Reference":"EPA-CCD-OPERA","MW":300.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"285,126,642","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"169037-48-3"}
{"Compound":"8-quinolinol, 5-[(methyl-2-propynylamino)methyl]-","CAS":"766454-72-2","CAS.Checksum":true,"DTXSID":"DTXSID70426091","Formula":"C14H14N2O","All.Compound.Names":"8-quinolinol, 5-[(methyl-2-propynylamino)methyl]-|Dtxsid70426091|766454-72-2","logHenry":-9.252,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.919,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.787,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.645,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.8,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"4.29,1.9,9.67","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"766454-72-2"}
{"Compound":"2-amino-3-mercapto-3-methylbutyric acid","CAS":"52-66-4","CAS.Checksum":true,"DTXSID":"DTXSID7044687","Formula":"C5H11NO2S","All.Compound.Names":"2-amino-3-mercapto-3-methylbutyric acid|Dtxsid7044687|52-66-4","logHenry":-7.929,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.777,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.218,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1284,"logWSol.Reference":"EPA-CCD-OPERA","MP":198.5,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"13.1,5.82,29.6","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"52-66-4"}
{"Compound":"Benzoic acid, 5-chloro-2-hydroxy-","CAS":"321-14-2","CAS.Checksum":true,"DTXSID":"DTXSID7059806","Formula":"C7H5ClO3","All.Compound.Names":"Benzoic acid, 5-chloro-2-hydroxy-|Dtxsid7059806|321-14-2","logHenry":-7.61,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.087,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.757,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.241,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.6,"MP.Reference":"EPA-CCD-OPERA","MW":172.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"10.5,4.65,23.6","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"321-14-2"}
{"Compound":"Baicalein 7-o-glucopyranoside","CAS":"57396-78-8","CAS.Checksum":true,"DTXSID":"DTXSID70904521","Formula":"C21H20O10","All.Compound.Names":"Baicalein 7-o-glucopyranoside|Dtxsid70904521|57396-78-8","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.113,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.417,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.095,"logWSol.Reference":"EPA-CCD-OPERA","MP":218.2,"MP.Reference":"EPA-CCD-OPERA","MW":432.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.24,0.0473,1.22","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"57396-78-8"}
{"Compound":"N'-(5-tert-butyl-2,3-dihydro-1h-inden-1-yl)-n-1h-indazol-4-ylcarbamimidic acid","CAS":"808756-71-0","CAS.Checksum":true,"DTXSID":"DTXSID801001609","Formula":"C21H24N4O","All.Compound.Names":"N'-(5-tert-butyl-2,3-dihydro-1h-inden-1-yl)-n-1h-indazol-4-ylcarbamimidic acid|Dtxsid801001609|808756-71-0","logHenry":-9.001,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.857,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.444,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.939,"logWSol.Reference":"EPA-CCD-OPERA","MP":162,"MP.Reference":"EPA-CCD-OPERA","MW":348.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"18,7.99,40.6","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"808756-71-0"}
{"Compound":"N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide","CAS":"1056634-68-4","CAS.Checksum":true,"DTXSID":"DTXSID801026049","Formula":"C23H22N6O2","All.Compound.Names":"N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide|Dtxsid801026049|1056634-68-4","logHenry":-10.91,"logHenry.Reference":"OPERA29","logP":3.29,"logP.Reference":"OPERA29","logWSol":-4.73,"logWSol.Reference":"OPERA29","MP":229,"MP.Reference":"OPERA29","MW":414.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"30.4,13.5,68.5","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"1056634-68-4"}
{"Compound":"3-[2-(4-benzoyl-1-piperazinyl)-2-oxoacetyl]-4-methoxy-n-methyl-1h-indole-7-carboxamide","CAS":"389630-02-8","CAS.Checksum":true,"DTXSID":"DTXSID801126136","Formula":"C24H24N4O5","All.Compound.Names":"3-[2-(4-benzoyl-1-piperazinyl)-2-oxoacetyl]-4-methoxy-n-methyl-1h-indole-7-carboxamide|Dtxsid801126136|389630-02-8","logHenry":-11.8,"logHenry.Reference":"OPERA29","logP":2.73,"logP.Reference":"OPERA29","logWSol":-5.76,"logWSol.Reference":"OPERA29","MP":239,"MP.Reference":"OPERA29","MW":448.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.9,1.73,8.79","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"389630-02-8"}
{"Compound":"N-[5-(3-fluoro-4-pyridinyl)-6-(4-pyridinyl)-2-pyrazinyl]cyclopropanecarboxamide","CAS":"925676-49-9","CAS.Checksum":true,"DTXSID":"DTXSID801135422","Formula":"C18H14FN5O","All.Compound.Names":"N-[5-(3-fluoro-4-pyridinyl)-6-(4-pyridinyl)-2-pyrazinyl]cyclopropanecarboxamide|Dtxsid801135422|925676-49-9","logHenry":-9.06,"logHenry.Reference":"OPERA29","logP":2.62,"logP.Reference":"OPERA29","logWSol":-5.1,"logWSol.Reference":"OPERA29","MP":214,"MP.Reference":"OPERA29","MW":335.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.77","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"33,14.6,74.4","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"925676-49-9"}
{"Compound":"(-)-nutlin 3","CAS":"675576-98-4","CAS.Checksum":true,"DTXSID":"DTXSID801317967","Formula":"C30H30Cl2N4O4","All.Compound.Names":"(-)-nutlin 3|Dtxsid801317967|675576-98-4","logHenry":-8.26,"logHenry.Reference":"OPERA29","logP":5.11,"logP.Reference":"OPERA29","logWSol":-3.28,"logWSol.Reference":"OPERA29","MP":205,"MP.Reference":"OPERA29","MW":581.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"12.6,5.59,28.4","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"675576-98-4"}
{"Compound":"Macrocarpal b","CAS":"142698-60-0","CAS.Checksum":true,"DTXSID":"DTXSID80162130","Formula":"C28H40O6","All.Compound.Names":"Macrocarpal b|Dtxsid80162130|142698-60-0","logHenry":-8.818,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.306,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.138,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.744,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.9,"MP.Reference":"EPA-CCD-OPERA","MW":472.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"1.7,0.756,3.84","Human.Caco2.Pab.Reference":"ChEMBL,Lanevskij","Chemical.Class":"","_row":"142698-60-0"}
{"Compound":"Diosmetin","CAS":"520-34-3","CAS.Checksum":true,"DTXSID":"DTXSID80199966","Formula":"C16H12O6","All.Compound.Names":"Diosmetin|Dtxsid80199966|520-34-3","logHenry":-9.802,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.098,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.172,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.677,"logWSol.Reference":"EPA-CCD-OPERA","MP":253.5,"MP.Reference":"EPA-CCD-OPERA","MW":300.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.92","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"76.2,33.8,172","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"520-34-3"}
{"Compound":"Ex-2","CAS":"851365-34-9","CAS.Checksum":true,"DTXSID":"DTXSID80234280","Formula":"C14H19N3O4","All.Compound.Names":"Ex-2|Dtxsid80234280|851365-34-9","logHenry":-8.792,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4753,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.892,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.83,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.1,"MP.Reference":"EPA-CCD-OPERA","MW":293.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.12,1.38,7.03","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"851365-34-9"}
{"Compound":"Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester","CAS":"89426-88-0","CAS.Checksum":true,"DTXSID":"DTXSID80237650","Formula":"C10H7F3N2O2","All.Compound.Names":"Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester|Dtxsid80237650|89426-88-0","logHenry":-8.038,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.187,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.02,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.777,"logWSol.Reference":"EPA-CCD-OPERA","MP":166.2,"MP.Reference":"EPA-CCD-OPERA","MW":244.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.45","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"32.7,14.5,73.7","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"89426-88-0"}
{"Compound":"Amg-458","CAS":"913376-83-7","CAS.Checksum":true,"DTXSID":"DTXSID80238521","Formula":"C30H29N5O5","All.Compound.Names":"Amg-458|Dtxsid80238521|913376-83-7","logHenry":-8.882,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.187,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.53,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.902,"logWSol.Reference":"EPA-CCD-OPERA","MP":225.9,"MP.Reference":"EPA-CCD-OPERA","MW":539.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.24","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.32","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"32,14.2,72.1","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"913376-83-7"}
{"Compound":"Met-enkephalin","CAS":"82362-17-2","CAS.Checksum":true,"DTXSID":"DTXSID80332078","Formula":"C27H35N5O7S","All.Compound.Names":"Met-enkephalin|Dtxsid80332078|82362-17-2","logHenry":-10.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.388,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.96,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.408,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.8,"MP.Reference":"EPA-CCD-OPERA","MW":573.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.0417,0.00821,0.212","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"82362-17-2"}
{"Compound":"7-methoxyflavone","CAS":"22395-22-8","CAS.Checksum":true,"DTXSID":"DTXSID80332790","Formula":"C16H12O3","All.Compound.Names":"7-methoxyflavone|Dtxsid80332790","logHenry":-7.611,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.027,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.463,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.631,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.1,"MP.Reference":"EPA-CCD-OPERA","MW":252.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"22.4,9.94,50.4","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"22395-22-8"}
{"Compound":"1-(4-benzoylpiperazin-1-yl)-2-(1h-indol-3-yl)ethane-1,2-dione","CAS":"313334-48-4","CAS.Checksum":true,"DTXSID":"DTXSID80333449","Formula":"C21H19N3O3","All.Compound.Names":"1-(4-benzoylpiperazin-1-yl)-2-(1h-indol-3-yl)ethane-1,2-dione|Dtxsid80333449|313334-48-4","logHenry":-8.681,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.386,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.892,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.865,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.4,"MP.Reference":"EPA-CCD-OPERA","MW":361.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"22.8,10.1,51.4","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"313334-48-4"}
{"Compound":"Donepezil","CAS":"120014-06-4","CAS.Checksum":true,"DTXSID":"DTXSID8048317","Formula":"C24H29NO3","All.Compound.Names":"Donepezil|120014-06-4|Dtxsid8048317","logHenry":-6.841,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.473,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.227,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.764,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.5,"MP.Reference":"EPA-CCD-OPERA","MW":379.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"5.55,2.46,12.5","Human.Caco2.Pab.Reference":"ChEMBL","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"120014-06-4"}
{"Compound":"Bilirubin","CAS":"635-65-4","CAS.Checksum":true,"DTXSID":"DTXSID8060905","Formula":"C33H36N4O6","All.Compound.Names":"Bilirubin|Dtxsid8060905|635-65-4","logHenry":-10.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.39,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.138,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.81,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.8,"MP.Reference":"EPA-CCD-OPERA","MW":584.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.53,0.104,2.69","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"635-65-4"}
{"Compound":"(2s)-n~1~-(2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl)pyrrolidine-1,2-dicarboxamide","CAS":"1166227-08-2","CAS.Checksum":true,"DTXSID":"DTXSID80655299","Formula":"C17H23N5O2S2","All.Compound.Names":"(2s)-n~1~-(2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl)pyrrolidine-1,2-dicarboxamide|Dtxsid80655299|1166227-08-2","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4413,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.188,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.856,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.2,"MP.Reference":"EPA-CCD-OPERA","MW":393.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"12.3,5.46,27.7","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"1166227-08-2"}
{"Compound":"Adenine 9-beta-d-arabinofuranoside","CAS":"5536-17-4","CAS.Checksum":true,"DTXSID":"DTXSID80873976","Formula":"C10H13N5O4","All.Compound.Names":"Adenine 9-beta-d-arabinofuranoside|5536-17-4|Dtxsid80873976","logHenry":-8.897,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.048,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.44,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.731,"logWSol.Reference":"EPA-CCD-OPERA","MP":246.3,"MP.Reference":"EPA-CCD-OPERA","MW":267.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.083,0.0163,0.421","Human.Caco2.Pab.Reference":"ChEMBL","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"5536-17-4"}
{"Compound":"Isoquinoline-3-carboxylic acid","CAS":"91544-03-5","CAS.Checksum":true,"DTXSID":"DTXSID80919666","Formula":"C10H7NO2","All.Compound.Names":"Isoquinoline-3-carboxylic acid|Dtxsid80919666|91544-03-5","logHenry":-8.752,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.808,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.959,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.32,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.4,"MP.Reference":"EPA-CCD-OPERA","MW":173.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.18","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"9.47,4.2,21.3","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"91544-03-5"}
{"Compound":"3-[[5-[(4-cyclobutylhexahydro-1h-1,4-diazepin-1-yl)carbonyl]-2-pyridinyl]oxy]benzonitrile","CAS":"959740-40-0","CAS.Checksum":true,"DTXSID":"DTXSID901122470","Formula":"C22H24N4O2","All.Compound.Names":"3-[[5-[(4-cyclobutylhexahydro-1h-1,4-diazepin-1-yl)carbonyl]-2-pyridinyl]oxy]benzonitrile|Dtxsid901122470|959740-40-0","logHenry":-7.59,"logHenry.Reference":"OPERA29","logP":3.03,"logP.Reference":"OPERA29","logWSol":-4.18,"logWSol.Reference":"OPERA29","MP":186,"MP.Reference":"OPERA29","MW":376.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.32","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"77,34.2,173","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"959740-40-0"}
{"Compound":"1h-indole-3-carboxamide, 1-(2-methoxyethyl)-n-1-naphthalenyl-","CAS":"1338925-13-5","CAS.Checksum":true,"DTXSID":"DTXSID901179952","Formula":"C22H20N2O2","All.Compound.Names":"1h-indole-3-carboxamide, 1-(2-methoxyethyl)-n-1-naphthalenyl-|Dtxsid901179952|1338925-13-5","logHenry":-9.12,"logHenry.Reference":"OPERA29","logP":4.63,"logP.Reference":"OPERA29","logWSol":-5.2,"logWSol.Reference":"OPERA29","MP":179,"MP.Reference":"OPERA29","MW":344.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"15.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"27,12,60.8","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"1338925-13-5"}
{"Compound":"Levovirin","CAS":"206269-27-4","CAS.Checksum":true,"DTXSID":"DTXSID90174648","Formula":"C8H12N4O5","All.Compound.Names":"Levovirin|Dtxsid90174648|206269-27-4","logHenry":-9.985,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.85,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.23,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2387,"logWSol.Reference":"EPA-CCD-OPERA","MP":241.3,"MP.Reference":"EPA-CCD-OPERA","MW":244.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"0.12,0.0237,0.61","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"206269-27-4"}
{"Compound":"Liquiritigenin","CAS":"578-86-9","CAS.Checksum":true,"DTXSID":"DTXSID90206493","Formula":"C15H12O4","All.Compound.Names":"Liquiritigenin|Dtxsid90206493|578-86-9","logHenry":-9.701,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.995,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.153,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.634,"logWSol.Reference":"EPA-CCD-OPERA","MP":275.1,"MP.Reference":"EPA-CCD-OPERA","MW":256.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"22.9,10.2,51.6","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"578-86-9"}
{"Compound":"Bms-582949","CAS":"623152-17-0","CAS.Checksum":true,"DTXSID":"DTXSID90211380","Formula":"C22H26N6O2","All.Compound.Names":"Bms-582949|Dtxsid90211380|623152-17-0","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.533,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.942,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.012,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.4,"MP.Reference":"EPA-CCD-OPERA","MW":406.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"9.1,4.04,20.5","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"623152-17-0"}
{"Compound":"Jnj-39220675","CAS":"959740-39-7","CAS.Checksum":true,"DTXSID":"DTXSID90242053","Formula":"C21H24FN3O2","All.Compound.Names":"Jnj-39220675|Dtxsid90242053|959740-39-7","logHenry":-7.405,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.425,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.316,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.401,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.8,"MP.Reference":"EPA-CCD-OPERA","MW":369.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"78,34.6,176","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"959740-39-7"}
{"Compound":"10-methylpyrimido[4,5-b]quinoline-2,4(3h,10h)-dione","CAS":"27132-53-2","CAS.Checksum":true,"DTXSID":"DTXSID90296016","Formula":"C12H9N3O2","All.Compound.Names":"10-methylpyrimido[4,5-b]quinoline-2,4(3h,10h)-dione|Dtxsid90296016|27132-53-2","logHenry":-7.287,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8571,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.37,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.05,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.6,"MP.Reference":"EPA-CCD-OPERA","MW":227.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"12.1,5.37,27.3","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"27132-53-2"}
{"Compound":"3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide","CAS":"67795-42-0","CAS.Checksum":true,"DTXSID":"DTXSID90346601","Formula":"C10H11N3OS","All.Compound.Names":"3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide|Dtxsid90346601|67795-42-0","logHenry":-5.679,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7976,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.596,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8728,"logWSol.Reference":"EPA-CCD-OPERA","MP":184.6,"MP.Reference":"EPA-CCD-OPERA","MW":221.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.73","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"7.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"13.6,6.04,30.6","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"67795-42-0"}
{"Compound":"3-(4-pyridyl)indole","CAS":"7272-84-6","CAS.Checksum":true,"DTXSID":"DTXSID90349379","Formula":"C13H10N2","All.Compound.Names":"3-(4-pyridyl)indole|Dtxsid90349379|7272-84-6","logHenry":-7.162,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.109,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.046,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.613,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.9,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.46","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"26.2,11.6,59","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"7272-84-6"}
{"Compound":"3-amino-5-phenylthiophene-2-carboxamide","CAS":"122375-70-6","CAS.Checksum":true,"DTXSID":"DTXSID90373412","Formula":"C11H10N2OS","All.Compound.Names":"3-amino-5-phenylthiophene-2-carboxamide|Dtxsid90373412|122375-70-6","logHenry":-8.798,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.972,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.132,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.142,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.9,"MP.Reference":"EPA-CCD-OPERA","MW":218.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.39","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"9.3,4.13,21","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"122375-70-6"}
{"Compound":"3-(1-methyl-3,4-dihydronaphthalen-2-yl)pyridine","CAS":"3614-50-4","CAS.Checksum":true,"DTXSID":"DTXSID90424897","Formula":"C16H15N","All.Compound.Names":"3-(1-methyl-3,4-dihydronaphthalen-2-yl)pyridine|Dtxsid90424897|3614-50-4","logHenry":-4.85,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.256,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.269,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.99,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.95,"MP.Reference":"EPA-CCD-OPERA","MW":221.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.68","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"3.4,1.51,7.66","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"3614-50-4"}
{"Compound":"3-[(2r)-4-propylmorpholin-2-yl]phenol","CAS":"547770-05-8","CAS.Checksum":true,"DTXSID":"DTXSID90430791","Formula":"C13H19NO2","All.Compound.Names":"3-[(2r)-4-propylmorpholin-2-yl]phenol|Dtxsid90430791|547770-05-8","logHenry":-9.023,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.047,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.557,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.338,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.5,"MP.Reference":"EPA-CCD-OPERA","MW":221.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"38,16.9,85.6","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"547770-05-8"}
{"Compound":"5-methyl-6-oxo-n-(1,3,4-thiadiazol-2-yl)-7h-furo[2,3-f]indole-7-carboxamide","CAS":"851681-89-5","CAS.Checksum":true,"DTXSID":"DTXSID90465947","Formula":"C14H10N4O3S","All.Compound.Names":"5-methyl-6-oxo-n-(1,3,4-thiadiazol-2-yl)-7h-furo[2,3-f]indole-7-carboxamide|Dtxsid90465947|851681-89-5","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8062,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.537,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.555,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.5,"MP.Reference":"EPA-CCD-OPERA","MW":314.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"5,2.22,11.3","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"851681-89-5"}
{"Compound":"Ly335979","CAS":"167354-41-8","CAS.Checksum":true,"DTXSID":"DTXSID9057894","Formula":"C32H31F2N3O2","All.Compound.Names":"Ly335979|Dtxsid9057894|167354-41-8","logHenry":-8.006,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.484,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.697,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.275,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.2,"MP.Reference":"EPA-CCD-OPERA","MW":527.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"64.6,28.7,145","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"167354-41-8"}
{"Compound":"1-naphthalenecarboxylic acid, 2-hydroxy-","CAS":"2283-08-1","CAS.Checksum":true,"DTXSID":"DTXSID9062304","Formula":"C11H8O3","All.Compound.Names":"1-naphthalenecarboxylic acid, 2-hydroxy-|Dtxsid9062304|2283-08-1","logHenry":-8.102,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.617,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.493,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.129,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.8,"MP.Reference":"EPA-CCD-OPERA","MW":188.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"25.7,11.4,57.9","Human.Caco2.Pab.Reference":"Lanevskij","Chemical.Class":"","_row":"2283-08-1"}
{"Compound":"2-cyclohexyl-2-phenyl-n-{1-[3-(pyridin-3-yl)propanoyl]piperidin-4-yl}acetamide","CAS":"944997-60-8","CAS.Checksum":true,"DTXSID":"DTXSID90659061","Formula":"C27H35N3O2","All.Compound.Names":"2-cyclohexyl-2-phenyl-n-{1-[3-(pyridin-3-yl)propanoyl]piperidin-4-yl}acetamide|Dtxsid90659061|944997-60-8","logHenry":-8.096,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.969,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.246,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.59,"logWSol.Reference":"EPA-CCD-OPERA","MP":169.4,"MP.Reference":"EPA-CCD-OPERA","MW":433.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"12,5.33,27","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"944997-60-8"}
{"Compound":"2-(aminomethyl)-n,n-diethyl-1-phenylcyclopropane-1-carboxamide","CAS":"136090-84-1","CAS.Checksum":true,"DTXSID":"DTXSID90861127","Formula":"C15H22N2O","All.Compound.Names":"2-(aminomethyl)-n,n-diethyl-1-phenylcyclopropane-1-carboxamide|Dtxsid90861127|136090-84-1","logHenry":-9.517,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.028,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.542,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.831,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.96,"MP.Reference":"EPA-CCD-OPERA","MW":246.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"8.9,3.95,20.1","Human.Caco2.Pab.Reference":"ChEMBL","Chemical.Class":"","_row":"136090-84-1"}
{"Compound":"Hydroxyethyl-p-phenylenediamine sulphate","CAS":"93841-25-9","CAS.Checksum":true,"DTXSID":"DTXSID90879808","Formula":"C8H14N2O5S","All.Compound.Names":"Hydroxyethyl-p-phenylenediamine sulphate|Dtxsid90879808|93841-25-9","logHenry":-9.782,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6791,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.638,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1353,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.4,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.27","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Caco2.Pab":"77.6,34.4,175","Human.Caco2.Pab.Reference":"Obringer","Chemical.Class":"","_row":"93841-25-9"}
{"Compound":"Quinoline-2-carbonitrile","CAS":"1436-43-7","CAS.Checksum":true,"DTXSID":"DTXSID00162475","Formula":"C10H6N2","All.Compound.Names":"Quinoline-2-carbonitrile|Dtxsid00162475|1436-43-7","logHenry":-6.128,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.601,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.037,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.484,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.32,"MP.Reference":"EPA-CCD-OPERA","MW":154.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1436-43-7"}
{"Compound":"3-ethyl-2,2-dimethylpentane","CAS":"16747-32-3","CAS.Checksum":true,"DTXSID":"DTXSID00168290","Formula":"C9H20","All.Compound.Names":"3-ethyl-2,2-dimethylpentane|Dtxsid00168290","logHenry":-0.4395,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.642,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.004,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.172,"logWSol.Reference":"EPA-CCD-OPERA","MP":-107.3,"MP.Reference":"EPA-CCD-OPERA","MW":128.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16747-32-3"}
{"Compound":"(2s,4r)-(-)-2,4-dimethylheptan-1-ol","CAS":"18450-74-3","CAS.Checksum":true,"DTXSID":"DTXSID00171582","Formula":"C9H20O","All.Compound.Names":"(2s,4r)-(-)-2,4-dimethylheptan-1-ol|Dtxsid00171582|18450-74-3","logHenry":-4.409,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.289,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.726,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.542,"logWSol.Reference":"EPA-CCD-OPERA","MP":-54.75,"MP.Reference":"EPA-CCD-OPERA","MW":144.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18450-74-3"}
{"Compound":"Nonanoic acid, 9-oxo-, methyl ester","CAS":"1931-63-1","CAS.Checksum":true,"DTXSID":"DTXSID00172913","Formula":"C10H18O3","All.Compound.Names":"Nonanoic acid, 9-oxo-, methyl ester|Dtxsid00172913","logHenry":-4.883,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.656,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.066,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.168,"logWSol.Reference":"EPA-CCD-OPERA","MP":-31.03,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1931-63-1"}
{"Compound":"Butylcyclopentane","CAS":"2040-95-1","CAS.Checksum":true,"DTXSID":"DTXSID00174351","Formula":"C9H18","All.Compound.Names":"Butylcyclopentane|Dtxsid00174351","logHenry":-1.132,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.026,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4662,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.027,"logWSol.Reference":"EPA-CCD-OPERA","MP":-93.74,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2040-95-1"}
{"Compound":"S-trioxane, 2,4,6-triethyl-","CAS":"2396-42-1","CAS.Checksum":true,"DTXSID":"DTXSID00178672","Formula":"C9H18O3","All.Compound.Names":"S-trioxane, 2,4,6-triethyl-|Dtxsid00178672","logHenry":-4.569,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.615,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.219,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.362,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.68,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2396-42-1"}
{"Compound":"3,3-dimethyl-1-hexene","CAS":"3404-77-1","CAS.Checksum":true,"DTXSID":"DTXSID00187648","Formula":"C8H16","All.Compound.Names":"3,3-dimethyl-1-hexene|Dtxsid00187648","logHenry":-0.6305,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.058,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3715,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.472,"logWSol.Reference":"EPA-CCD-OPERA","MP":-111.3,"MP.Reference":"EPA-CCD-OPERA","MW":112.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3404-77-1"}
{"Compound":"7-tetradecyne","CAS":"35216-11-6","CAS.Checksum":true,"DTXSID":"DTXSID00188716","Formula":"C14H26","All.Compound.Names":"7-tetradecyne|Dtxsid00188716","logHenry":-2.011,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.778,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.04951,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.521,"logWSol.Reference":"EPA-CCD-OPERA","MP":-68.34,"MP.Reference":"EPA-CCD-OPERA","MW":194.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35216-11-6"}
{"Compound":"Phenanthrene, 2,3-dimethyl-","CAS":"3674-65-5","CAS.Checksum":true,"DTXSID":"DTXSID00190197","Formula":"C16H14","All.Compound.Names":"Phenanthrene, 2,3-dimethyl-|Dtxsid00190197","logHenry":-4.488,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.32,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.551,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.494,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.9,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3674-65-5"}
{"Compound":"6:1 fluorotelomer alcohol","CAS":"375-82-6","CAS.Checksum":true,"DTXSID":"DTXSID00190950","Formula":"C7H3F13O","All.Compound.Names":"6:1 fluorotelomer alcohol|Dtxsid00190950|375-82-6","logHenry":-9.577,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.56,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2743,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.705,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.06,"MP.Reference":"EPA-CCD-OPERA","MW":350.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"375-82-6"}
{"Compound":"8:2 fluorotelomer sulfonic acid","CAS":"39108-34-4","CAS.Checksum":true,"DTXSID":"DTXSID00192353","Formula":"C10H5F17O3S","All.Compound.Names":"8:2 fluorotelomer sulfonic acid|Dtxsid00192353|39108-34-4","logHenry":-10.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.183,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.03878,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.169,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.8,"MP.Reference":"EPA-CCD-OPERA","MW":528.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"39108-34-4"}
{"Compound":"1h,1h,9h-perfluorononyl acrylate","CAS":"4180-26-1","CAS.Checksum":true,"DTXSID":"DTXSID00194615","Formula":"C12H6F16O2","All.Compound.Names":"1h,1h,9h-perfluorononyl acrylate|Dtxsid00194615","logHenry":-5.274,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.785,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2705,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.089,"logWSol.Reference":"EPA-CCD-OPERA","MP":23.82,"MP.Reference":"EPA-CCD-OPERA","MW":486.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"4180-26-1"}
{"Compound":"Benzoyl isothiocyanate","CAS":"532-55-8","CAS.Checksum":true,"DTXSID":"DTXSID00201257","Formula":"C8H5NOS","All.Compound.Names":"Benzoyl isothiocyanate|Dtxsid00201257|532-55-8","logHenry":-7.405,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.52,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.741,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.616,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.46,"MP.Reference":"EPA-CCD-OPERA","MW":163.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"532-55-8"}
{"Compound":"2-biphenylol, 5-tert-butyl-","CAS":"577-92-4","CAS.Checksum":true,"DTXSID":"DTXSID00206409","Formula":"C16H18O","All.Compound.Names":"2-biphenylol, 5-tert-butyl-|Dtxsid00206409|577-92-4","logHenry":-6.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.271,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.552,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.176,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.67,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"577-92-4"}
{"Compound":"3-tetradecyne","CAS":"60212-32-0","CAS.Checksum":true,"DTXSID":"DTXSID00208963","Formula":"C14H26","All.Compound.Names":"3-tetradecyne|Dtxsid00208963","logHenry":-2.013,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.785,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.05663,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.31,"logWSol.Reference":"EPA-CCD-OPERA","MP":-68.34,"MP.Reference":"EPA-CCD-OPERA","MW":194.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60212-32-0"}
{"Compound":"O-phenylenediacetonitrile","CAS":"613-73-0","CAS.Checksum":true,"DTXSID":"DTXSID00210203","Formula":"C10H8N2","All.Compound.Names":"O-phenylenediacetonitrile|Dtxsid00210203","logHenry":-4.118,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.94,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.172,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.464,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.61,"MP.Reference":"EPA-CCD-OPERA","MW":156.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"613-73-0"}
{"Compound":"Ziram","CAS":"137-30-4","CAS.Checksum":true,"DTXSID":"DTXSID0021464","Formula":"C6H12N2S4Zn","All.Compound.Names":"Ziram|137-30-4","logHenry":-7.25,"logHenry.Reference":"OPERA29","logP":-0.66,"logP.Reference":"OPERA29","logWSol":-3.51,"logWSol.Reference":"OPERA29","MP":123,"MP.Reference":"OPERA29","MW":305.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137-30-4"}
{"Compound":"3-methyl-3-pentanol","CAS":"77-74-7","CAS.Checksum":true,"DTXSID":"DTXSID0021755","Formula":"C6H14O","All.Compound.Names":"3-methyl-3-pentanol|Dtxsid0021755|77-74-7","logHenry":-4.704,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.442,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.841,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3816,"logWSol.Reference":"EPA-CCD-OPERA","MP":-23.99,"MP.Reference":"EPA-CCD-OPERA","MW":102.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-74-7"}
{"Compound":"3-aminoacetophenone","CAS":"99-03-6","CAS.Checksum":true,"DTXSID":"DTXSID0021830","Formula":"C8H9NO","All.Compound.Names":"3-aminoacetophenone|Dtxsid0021830|99-03-6","logHenry":-8.753,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8326,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.648,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.293,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.43,"MP.Reference":"EPA-CCD-OPERA","MW":135.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-03-6"}
{"Compound":"2-hexanone","CAS":"591-78-6","CAS.Checksum":true,"DTXSID":"DTXSID0022068","Formula":"C6H12O","All.Compound.Names":"2-hexanone|Dtxsid0022068","logHenry":-4.277,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.38,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.237,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7867,"logWSol.Reference":"EPA-CCD-OPERA","MP":-55.63,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"591-78-6"}
{"Compound":"1,2-diphenylcyclobutane, cis-","CAS":"7694-30-6","CAS.Checksum":true,"DTXSID":"DTXSID00227730","Formula":"C16H16","All.Compound.Names":"1,2-diphenylcyclobutane, cis-|Dtxsid00227730","logHenry":-3.997,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.598,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.786,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.868,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.75,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7694-30-6"}
{"Compound":"Octanoic acid, vinyl ester (mixed isomers)","CAS":"818-44-0","CAS.Checksum":true,"DTXSID":"DTXSID00231372","Formula":"C10H18O2","All.Compound.Names":"Octanoic acid, vinyl ester (mixed isomers)|Dtxsid00231372","logHenry":-3.567,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.735,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.273,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.307,"logWSol.Reference":"EPA-CCD-OPERA","MP":-56.2,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"818-44-0"}
{"Compound":"1,7-dimethyldibenzothiophene","CAS":"89816-53-5","CAS.Checksum":true,"DTXSID":"DTXSID00237910","Formula":"C14H12S","All.Compound.Names":"1,7-dimethyldibenzothiophene|Dtxsid00237910","logHenry":-4.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.009,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.165,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.267,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.81,"MP.Reference":"EPA-CCD-OPERA","MW":212.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89816-53-5"}
{"Compound":"Cyclohexane, 1,1-dimethoxy-","CAS":"933-40-4","CAS.Checksum":true,"DTXSID":"DTXSID00239373","Formula":"C8H16O2","All.Compound.Names":"Cyclohexane, 1,1-dimethoxy-|Dtxsid00239373","logHenry":-4.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.649,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.886,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.053,"logWSol.Reference":"EPA-CCD-OPERA","MP":36.08,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"933-40-4"}
{"Compound":"Dihydroxyacetone","CAS":"96-26-4","CAS.Checksum":true,"DTXSID":"DTXSID0025072","Formula":"C3H6O3","All.Compound.Names":"Dihydroxyacetone|Dtxsid0025072|1,3-dihydroxy-2-propanone|96-26-4","logHenry":-9.21,"logHenry.Reference":"OPERA29","logP":-0.72,"logP.Reference":"OPERA29","logWSol":0.51,"logWSol.Reference":"OPERA29","MP":41,"MP.Reference":"OPERA29","MW":90.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-26-4"}
{"Compound":"(e)-squalene","CAS":"111-02-4","CAS.Checksum":true,"DTXSID":"DTXSID0026044","Formula":"C30H50","All.Compound.Names":"(e)-squalene|Dtxsid0026044","logHenry":-6.597,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.451,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.24,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.906,"logWSol.Reference":"EPA-CCD-OPERA","MP":-52.91,"MP.Reference":"EPA-CCD-OPERA","MW":410.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-02-4"}
{"Compound":"1-eicosanol","CAS":"629-96-9","CAS.Checksum":true,"DTXSID":"DTXSID0027272","Formula":"C20H42O","All.Compound.Names":"1-eicosanol|Dtxsid0027272|629-96-9","logHenry":-6.735,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.848,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.204,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.99,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.95,"MP.Reference":"EPA-CCD-OPERA","MW":298.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"629-96-9"}
{"Compound":"C.i. pigment yellow 13","CAS":"5102-83-0","CAS.Checksum":true,"DTXSID":"DTXSID0029268","Formula":"C36H34Cl2N6O4","All.Compound.Names":"C.i. pigment yellow 13|Dtxsid0029268|5102-83-0","logHenry":-7.931,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.549,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.245,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.614,"logWSol.Reference":"EPA-CCD-OPERA","MP":216.9,"MP.Reference":"EPA-CCD-OPERA","MW":685.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5102-83-0"}
{"Compound":"4-methyl-1-octene","CAS":"13151-12-7","CAS.Checksum":true,"DTXSID":"DTXSID00333805","Formula":"C9H18","All.Compound.Names":"4-methyl-1-octene|Dtxsid00333805","logHenry":-0.9402,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.871,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.003,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.066,"logWSol.Reference":"EPA-CCD-OPERA","MP":-124.3,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13151-12-7"}
{"Compound":"Naphthalene, decahydro-1,6-dimethyl-","CAS":"1750-51-2","CAS.Checksum":true,"DTXSID":"DTXSID00334019","Formula":"C12H22","All.Compound.Names":"Naphthalene, decahydro-1,6-dimethyl-|Dtxsid00334019","logHenry":-1.404,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.896,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5952,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.241,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.417,"MP.Reference":"EPA-CCD-OPERA","MW":166.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1750-51-2"}
{"Compound":"3,3,5,5-tetramethylcyclopentene","CAS":"38667-10-6","CAS.Checksum":true,"DTXSID":"DTXSID00334493","Formula":"C9H16","All.Compound.Names":"3,3,5,5-tetramethylcyclopentene|Dtxsid00334493","logHenry":-1.172,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.355,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1304,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.575,"logWSol.Reference":"EPA-CCD-OPERA","MP":-104.7,"MP.Reference":"EPA-CCD-OPERA","MW":124.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"38667-10-6"}
{"Compound":"2,2'-thiodipyridine","CAS":"4262-06-0","CAS.Checksum":true,"DTXSID":"DTXSID00334554","Formula":"C10H8N2S","All.Compound.Names":"2,2'-thiodipyridine|Dtxsid00334554|4262-06-0","logHenry":-4.898,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.773,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.663,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.102,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.97,"MP.Reference":"EPA-CCD-OPERA","MW":188.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4262-06-0"}
{"Compound":"1-iodo-2-methylundecane","CAS":"73105-67-6","CAS.Checksum":true,"DTXSID":"DTXSID00337929","Formula":"C12H25I","All.Compound.Names":"1-iodo-2-methylundecane|Dtxsid00337929","logHenry":-2.253,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.166,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.088,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.455,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.282,"MP.Reference":"EPA-CCD-OPERA","MW":296.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"73105-67-6"}
{"Compound":"7-tetradecanol","CAS":"3981-79-1","CAS.Checksum":true,"DTXSID":"DTXSID00338572","Formula":"C14H30O","All.Compound.Names":"7-tetradecanol|Dtxsid00338572|3981-79-1","logHenry":-4.683,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.655,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.64,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.942,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.7,"MP.Reference":"EPA-CCD-OPERA","MW":214.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3981-79-1"}
{"Compound":"9-methylbicyclo[3.3.1]nonane","CAS":"25107-01-1","CAS.Checksum":true,"DTXSID":"DTXSID00339564","Formula":"C10H18","All.Compound.Names":"9-methylbicyclo[3.3.1]nonane|Dtxsid00339564","logHenry":-1.412,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.699,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2653,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.204,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.6,"MP.Reference":"EPA-CCD-OPERA","MW":138.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25107-01-1"}
{"Compound":"5-oxopentyl benzoate","CAS":"55162-83-9","CAS.Checksum":true,"DTXSID":"DTXSID00341081","Formula":"C12H14O3","All.Compound.Names":"5-oxopentyl benzoate|Dtxsid00341081","logHenry":-7.908,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.11,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.106,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.243,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.18,"MP.Reference":"EPA-CCD-OPERA","MW":206.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55162-83-9"}
{"Compound":"3-methoxy-4-[(4-methylbenzyl)oxy]benzaldehyde","CAS":"351066-36-9","CAS.Checksum":true,"DTXSID":"DTXSID00341147","Formula":"C16H16O3","All.Compound.Names":"3-methoxy-4-[(4-methylbenzyl)oxy]benzaldehyde|Dtxsid00341147","logHenry":-5.133,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.521,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.423,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.502,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.52,"MP.Reference":"EPA-CCD-OPERA","MW":256.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"351066-36-9"}
{"Compound":"3-penten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (e)-","CAS":"93175-78-1","CAS.Checksum":true,"DTXSID":"DTXSID00342871","Formula":"C14H22O","All.Compound.Names":"3-penten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (e)-|Dtxsid00342871","logHenry":-3.487,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.379,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.526,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.927,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.54,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93175-78-1"}
{"Compound":"Quizalofop-p-ethyl","CAS":"100646-51-3","CAS.Checksum":true,"DTXSID":"DTXSID0034857","Formula":"C19H17ClN2O4","All.Compound.Names":"Quizalofop-p-ethyl|Dtxsid0034857|100646-51-3","logHenry":-7.319,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.278,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.479,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.99,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.28,"MP.Reference":"EPA-CCD-OPERA","MW":372.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100646-51-3"}
{"Compound":"Perfluoro-1,3-dimethylcyclohexane","CAS":"335-27-3","CAS.Checksum":true,"DTXSID":"DTXSID0036926","Formula":"C8F16","All.Compound.Names":"Perfluoro-1,3-dimethylcyclohexane|Dtxsid0036926","logHenry":-1.921,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.589,"logP.Reference":"EPA-CCD-OPERA","logPwa":-4.305,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.933,"logWSol.Reference":"EPA-CCD-OPERA","MP":-69.92,"MP.Reference":"EPA-CCD-OPERA","MW":400.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"335-27-3"}
{"Compound":"3:3 fluorotelomer carboxylic acid","CAS":"356-02-5","CAS.Checksum":true,"DTXSID":"DTXSID00379268","Formula":"C6H5F7O2","All.Compound.Names":"3:3 fluorotelomer carboxylic acid|Dtxsid00379268|356-02-5","logHenry":-8.65,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.936,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1314,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.315,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.67,"MP.Reference":"EPA-CCD-OPERA","MW":242.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"356-02-5"}
{"Compound":"(+/-)-cis-permethrin","CAS":"61949-76-6","CAS.Checksum":true,"DTXSID":"DTXSID0038338","Formula":"C21H20Cl2O3","All.Compound.Names":"(+/-)-cis-permethrin|Dtxsid0038338","logHenry":-7.622,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.499,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.185,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.672,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.28,"MP.Reference":"EPA-CCD-OPERA","MW":391.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61949-76-6"}
{"Compound":"Usnic acid","CAS":"125-46-2","CAS.Checksum":true,"DTXSID":"DTXSID0040123","Formula":"C18H16O7","All.Compound.Names":"Usnic acid|Dtxsid0040123|125-46-2","logHenry":-10.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.878,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.566,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.109,"logWSol.Reference":"EPA-CCD-OPERA","MP":204,"MP.Reference":"EPA-CCD-OPERA","MW":344.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"125-46-2"}
{"Compound":"Rifamycin sv sodium salt","CAS":"14897-39-3","CAS.Checksum":true,"DTXSID":"DTXSID0040208","Formula":"C37H46NNaO12","All.Compound.Names":"Rifamycin sv sodium salt|Dtxsid0040208|14897-39-3","logHenry":-10.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.179,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.382,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.22,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.1,"MP.Reference":"EPA-CCD-OPERA","MW":719.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14897-39-3"}
{"Compound":"(z)-hexadec-11-en-1-ol","CAS":"56683-54-6","CAS.Checksum":true,"DTXSID":"DTXSID0041191","Formula":"C16H32O","All.Compound.Names":"(z)-hexadec-11-en-1-ol|Dtxsid0041191|56683-54-6","logHenry":-4.845,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.578,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.168,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.436,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.31,"MP.Reference":"EPA-CCD-OPERA","MW":240.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56683-54-6"}
{"Compound":"(9e,12z)-9,12-tetradecadien-1-ol","CAS":"51937-00-9","CAS.Checksum":true,"DTXSID":"DTXSID0041563","Formula":"C14H26O","All.Compound.Names":"(9e,12z)-9,12-tetradecadien-1-ol|Dtxsid0041563|51937-00-9","logHenry":-4.688,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.139,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.024,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.885,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.32,"MP.Reference":"EPA-CCD-OPERA","MW":210.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.85","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51937-00-9"}
{"Compound":"2,2,4,6,6-pentamethylheptane","CAS":"13475-82-6","CAS.Checksum":true,"DTXSID":"DTXSID0042034","Formula":"C12H26","All.Compound.Names":"2,2,4,6,6-pentamethylheptane|Dtxsid0042034","logHenry":-0.8124,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.006,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6901,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.93,"logWSol.Reference":"EPA-CCD-OPERA","MP":-65.62,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13475-82-6"}
{"Compound":"3-(trichlorosilyl)propanenitrile","CAS":"1071-22-3","CAS.Checksum":true,"DTXSID":"DTXSID0042329","Formula":"C3H4Cl3NSi","All.Compound.Names":"3-(trichlorosilyl)propanenitrile|Dtxsid0042329","logHenry":-2.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.24,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.891,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.59,"logWSol.Reference":"EPA-CCD-OPERA","MP":-59.24,"MP.Reference":"EPA-CCD-OPERA","MW":188.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1071-22-3"}
{"Compound":"2-(trifluoromethoxy)ethyl trifluoromethanesulfonate","CAS":"329710-76-1","CAS.Checksum":true,"DTXSID":"DTXSID00442840","Formula":"C4H4F6O4S","All.Compound.Names":"2-(trifluoromethoxy)ethyl trifluoromethanesulfonate|Dtxsid00442840","logHenry":-3.122,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.536,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.00781,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3564,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.868,"MP.Reference":"EPA-CCD-OPERA","MW":262.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"329710-76-1"}
{"Compound":"Propylsilanetriyl triacetate","CAS":"17865-07-5","CAS.Checksum":true,"DTXSID":"DTXSID0044608","Formula":"C9H16O6Si","All.Compound.Names":"Propylsilanetriyl triacetate|Dtxsid0044608","logHenry":-8.565,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.169,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.536,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.026,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.53,"MP.Reference":"EPA-CCD-OPERA","MW":248.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17865-07-5"}
{"Compound":"Parbendazole","CAS":"14255-87-9","CAS.Checksum":true,"DTXSID":"DTXSID0045410","Formula":"C13H17N3O2","All.Compound.Names":"Parbendazole|Dtxsid0045410|14255-87-9","logHenry":-9.726,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.716,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.546,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.108,"logWSol.Reference":"EPA-CCD-OPERA","MP":206.6,"MP.Reference":"EPA-CCD-OPERA","MW":247.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.64","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14255-87-9"}
{"Compound":"Sodium l-glutamate hydrate","CAS":"6106-04-3","CAS.Checksum":true,"DTXSID":"DTXSID0047240","Formula":"C5H10NNaO5","All.Compound.Names":"Sodium l-glutamate hydrate|Dtxsid0047240|6106-04-3","logHenry":-9.303,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.348,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.61,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1617,"logWSol.Reference":"EPA-CCD-OPERA","MP":217,"MP.Reference":"EPA-CCD-OPERA","MW":187.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.15","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6106-04-3"}
{"Compound":"3-((1-(aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2h)-one dihydrochloride","CAS":"227626-75-7","CAS.Checksum":true,"DTXSID":"DTXSID0047292","Formula":"C10H18ClN3O2","All.Compound.Names":"3-((1-(aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2h)-one dihydrochloride|Dtxsid0047292|227626-75-7","logHenry":-7.921,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.705,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.885,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":155.6,"MP.Reference":"EPA-CCD-OPERA","MW":247.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"227626-75-7"}
{"Compound":"3-chloro-2-((3r)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1h-indol-3-yl)-n-ethyl-n-(3-pyridinylmethyl)benzamide hydrochloride (1:1)","CAS":"1437319-51-1","CAS.Checksum":true,"DTXSID":"DTXSID0047379","Formula":"C33H32Cl3N3O4","All.Compound.Names":"3-chloro-2-((3r)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1h-indol-3-yl)-n-ethyl-n-(3-pyridinylmethyl)benzamide hydrochloride (1:1)|Dtxsid0047379|1437319-51-1","logHenry":-7.503,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.652,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.022,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.497,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.1,"MP.Reference":"EPA-CCD-OPERA","MW":641,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1437319-51-1"}
{"Compound":"Nonafluoro-1-iodobutane","CAS":"423-39-2","CAS.Checksum":true,"DTXSID":"DTXSID0047583","Formula":"C4F9I","All.Compound.Names":"Nonafluoro-1-iodobutane|Dtxsid0047583","logHenry":-1.21,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.71,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4496,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.93,"logWSol.Reference":"EPA-CCD-OPERA","MP":-68.04,"MP.Reference":"EPA-CCD-OPERA","MW":345.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"423-39-2"}
{"Compound":"Butan-2-yl acetate","CAS":"105-46-4","CAS.Checksum":true,"DTXSID":"DTXSID0047612","Formula":"C6H12O2","All.Compound.Names":"Butan-2-yl acetate|Dtxsid0047612","logHenry":-3.462,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.721,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.522,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.27,"logWSol.Reference":"EPA-CCD-OPERA","MP":-98.05,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-46-4"}
{"Compound":"4-methylbenzeneacetaldehyde","CAS":"104-09-6","CAS.Checksum":true,"DTXSID":"DTXSID0051524","Formula":"C9H10O","All.Compound.Names":"4-methylbenzeneacetaldehyde|Dtxsid0051524","logHenry":-4.356,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.878,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.966,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.646,"logWSol.Reference":"EPA-CCD-OPERA","MP":33.95,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-09-6"}
{"Compound":"4-methoxyphenylacetonitrile","CAS":"104-47-2","CAS.Checksum":true,"DTXSID":"DTXSID0051526","Formula":"C9H9NO","All.Compound.Names":"4-methoxyphenylacetonitrile|Dtxsid0051526","logHenry":-4.957,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.701,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.544,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.666,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.99,"MP.Reference":"EPA-CCD-OPERA","MW":147.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-47-2"}
{"Compound":"Diethylene glycol monophenyl ether","CAS":"104-68-7","CAS.Checksum":true,"DTXSID":"DTXSID0051528","Formula":"C10H14O3","All.Compound.Names":"Diethylene glycol monophenyl ether|Dtxsid0051528|104-68-7","logHenry":-8.925,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.604,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.841,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8201,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.09,"MP.Reference":"EPA-CCD-OPERA","MW":182.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104-68-7"}
{"Compound":"Methyl (z)-docos-13-enoate","CAS":"1120-34-9","CAS.Checksum":true,"DTXSID":"DTXSID0051578","Formula":"C23H44O2","All.Compound.Names":"Methyl (z)-docos-13-enoate|Dtxsid0051578","logHenry":-6.642,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.32,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.118,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.874,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.4776,"MP.Reference":"EPA-CCD-OPERA","MW":352.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1120-34-9"}
{"Compound":"Bis(vinylsulphonylmethyl) ether","CAS":"26750-50-5","CAS.Checksum":true,"DTXSID":"DTXSID0051942","Formula":"C6H10O5S2","All.Compound.Names":"Bis(vinylsulphonylmethyl) ether|Dtxsid0051942","logHenry":-6.421,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.719,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.002,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.434,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.6,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26750-50-5"}
{"Compound":"1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxonicotinonitrile","CAS":"27074-03-9","CAS.Checksum":true,"DTXSID":"DTXSID0051946","Formula":"C8H8N2O2","All.Compound.Names":"1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxonicotinonitrile|Dtxsid0051946|27074-03-9","logHenry":-4.556,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.02192,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.544,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9799,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.07,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27074-03-9"}
{"Compound":"1,1-diethoxyhexane","CAS":"3658-93-3","CAS.Checksum":true,"DTXSID":"DTXSID0052045","Formula":"C10H22O2","All.Compound.Names":"1,1-diethoxyhexane|Dtxsid0052045","logHenry":-3.073,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.003,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.004,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.019,"logWSol.Reference":"EPA-CCD-OPERA","MP":-64.1,"MP.Reference":"EPA-CCD-OPERA","MW":174.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3658-93-3"}
{"Compound":"1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butenone","CAS":"43052-87-5","CAS.Checksum":true,"DTXSID":"DTXSID0052097","Formula":"C13H20O","All.Compound.Names":"1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butenone|Dtxsid0052097","logHenry":-4.322,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.058,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.067,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.533,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.58,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"43052-87-5"}
{"Compound":"1,2,3,4-tetrahydro-1,1,6-trimethylnaphthalene","CAS":"475-03-6","CAS.Checksum":true,"DTXSID":"DTXSID0052120","Formula":"C13H18","All.Compound.Names":"1,2,3,4-tetrahydro-1,1,6-trimethylnaphthalene|Dtxsid0052120","logHenry":-2.105,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.171,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.791,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.737,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.556,"MP.Reference":"EPA-CCD-OPERA","MW":174.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"475-03-6"}
{"Compound":"2-?dodecenal","CAS":"4826-62-4","CAS.Checksum":true,"DTXSID":"DTXSID0052122","Formula":"C12H22O","All.Compound.Names":"2-?dodecenal|Dtxsid0052122","logHenry":-2.81,"logHenry.Reference":"OPERA29","logP":4.89,"logP.Reference":"OPERA29","logWSol":-4.75,"logWSol.Reference":"OPERA29","MP":5,"MP.Reference":"OPERA29","MW":182.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4826-62-4"}
{"Compound":"3,4-dimethyl-benzeneacetaldehyde","CAS":"68844-97-3","CAS.Checksum":true,"DTXSID":"DTXSID0052673","Formula":"C10H12O","All.Compound.Names":"3,4-dimethyl-benzeneacetaldehyde|Dtxsid0052673","logHenry":-4.264,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.184,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.054,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.393,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.419,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68844-97-3"}
{"Compound":"Trans-monoelaidin","CAS":"2716-53-2","CAS.Checksum":true,"DTXSID":"DTXSID0052831","Formula":"C21H40O4","All.Compound.Names":"Trans-monoelaidin|Dtxsid0052831|2716-53-2","logHenry":-8.502,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.711,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.668,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.23,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.19,"MP.Reference":"EPA-CCD-OPERA","MW":356.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.37","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2716-53-2"}
{"Compound":"2-tridecenal","CAS":"7774-82-5","CAS.Checksum":true,"DTXSID":"DTXSID0052883","Formula":"C13H24O","All.Compound.Names":"2-tridecenal","logHenry":-3.336,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.974,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.854,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.842,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.59,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7774-82-5"}
{"Compound":"Sodium ethasulfate hydrate","CAS":"NOCAS_57887","CAS.Checksum":true,"DTXSID":"DTXSID0057887","Formula":"C8H19NaO5S","All.Compound.Names":"Sodium ethasulfate hydrate|Dtxsid0057887|NOCAS_57887","logHenry":-7.545,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5982,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.795,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8782,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.8,"MP.Reference":"EPA-CCD-OPERA","MW":250.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.51","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_57887"}
{"Compound":"Tris(tribromoneopentyl)phosphate","CAS":"19186-97-1","CAS.Checksum":true,"DTXSID":"DTXSID0058691","Formula":"C15H24Br9O4P","All.Compound.Names":"Tris(tribromoneopentyl)phosphate|Dtxsid0058691","logHenry":-2.752,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.534,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.141,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.882,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.69,"MP.Reference":"EPA-CCD-OPERA","MW":1018,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19186-97-1"}
{"Compound":"2-myristoyl glycerol","CAS":"3443-83-2","CAS.Checksum":true,"DTXSID":"DTXSID0058699","Formula":"C17H34O4","All.Compound.Names":"2-myristoyl glycerol|Dtxsid0058699|3443-83-2","logHenry":-8.907,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.059,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.075,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.432,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.28,"MP.Reference":"EPA-CCD-OPERA","MW":302.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3443-83-2"}
{"Compound":"Perfluorooctane","CAS":"307-34-6","CAS.Checksum":true,"DTXSID":"DTXSID0059794","Formula":"C8F18","All.Compound.Names":"Perfluorooctane|Dtxsid0059794","logHenry":-1.794,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.622,"logP.Reference":"EPA-CCD-OPERA","logPwa":-3.031,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.62,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.93,"MP.Reference":"EPA-CCD-OPERA","MW":438.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"307-34-6"}
{"Compound":"1h,1h,5h-perfluoropentanol","CAS":"355-80-6","CAS.Checksum":true,"DTXSID":"DTXSID0059879","Formula":"C5H4F8O","All.Compound.Names":"1h,1h,5h-perfluoropentanol|Dtxsid0059879|355-80-6","logHenry":-8.131,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.191,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.474,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.243,"logWSol.Reference":"EPA-CCD-OPERA","MP":-27.61,"MP.Reference":"EPA-CCD-OPERA","MW":232.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"355-80-6"}
{"Compound":"3-penten-2-one","CAS":"625-33-2","CAS.Checksum":true,"DTXSID":"DTXSID0060800","Formula":"C5H8O","All.Compound.Names":"3-penten-2-one|Dtxsid0060800","logHenry":-4.642,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5234,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.703,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4537,"logWSol.Reference":"EPA-CCD-OPERA","MP":-64.78,"MP.Reference":"EPA-CCD-OPERA","MW":84.12,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"625-33-2"}
{"Compound":"Hexafluoroglutaryl chloride","CAS":"678-77-3","CAS.Checksum":true,"DTXSID":"DTXSID0060985","Formula":"C5Cl2F6O2","All.Compound.Names":"Hexafluoroglutaryl chloride|Dtxsid0060985","logHenry":-4.043,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.961,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.466,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.315,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.59,"MP.Reference":"EPA-CCD-OPERA","MW":276.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"678-77-3"}
{"Compound":"1,3-dimethyl-4-ethylbenzene","CAS":"874-41-9","CAS.Checksum":true,"DTXSID":"DTXSID0061246","Formula":"C10H14","All.Compound.Names":"1,3-dimethyl-4-ethylbenzene|Dtxsid0061246","logHenry":-2.1,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.468,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1027,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.448,"logWSol.Reference":"EPA-CCD-OPERA","MP":-63.46,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"874-41-9"}
{"Compound":"1-pentanone, 1-phenyl-","CAS":"1009-14-9","CAS.Checksum":true,"DTXSID":"DTXSID0061406","Formula":"C11H14O","All.Compound.Names":"1-pentanone, 1-phenyl-|Dtxsid0061406","logHenry":-4.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.794,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.93,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.119,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.71,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1009-14-9"}
{"Compound":"2,2-dimethylheptane","CAS":"1071-26-7","CAS.Checksum":true,"DTXSID":"DTXSID0061454","Formula":"C9H20","All.Compound.Names":"2,2-dimethylheptane|Dtxsid0061454","logHenry":-0.5846,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.082,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.123,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.24,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.43,"MP.Reference":"EPA-CCD-OPERA","MW":128.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1071-26-7"}
{"Compound":"Perfluoropropyl trifluorovinyl ether","CAS":"1623-05-8","CAS.Checksum":true,"DTXSID":"DTXSID0061826","Formula":"C5F10O","All.Compound.Names":"Perfluoropropyl trifluorovinyl ether|Dtxsid0061826","logHenry":-2.309,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.804,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8468,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.235,"logWSol.Reference":"EPA-CCD-OPERA","MP":-64.08,"MP.Reference":"EPA-CCD-OPERA","MW":266,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"1623-05-8"}
{"Compound":"Bis(decyloxy)phosphanolate","CAS":"19931-58-9","CAS.Checksum":true,"DTXSID":"DTXSID00622706","Formula":"C20H42O3P","All.Compound.Names":"Bis(decyloxy)phosphanolate|Dtxsid00622706|19931-58-9","logHenry":-7.022,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.973,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.424,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.476,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.25,"MP.Reference":"EPA-CCD-OPERA","MW":361.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19931-58-9"}
{"Compound":"2-propyn-1-amine, n,n-dimethyl-","CAS":"7223-38-3","CAS.Checksum":true,"DTXSID":"DTXSID0064599","Formula":"C5H9N","All.Compound.Names":"2-propyn-1-amine, n,n-dimethyl-|Dtxsid0064599|7223-38-3","logHenry":-4.319,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3734,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.886,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5039,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.784,"MP.Reference":"EPA-CCD-OPERA","MW":83.13,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7223-38-3"}
{"Compound":"1-nonadecene","CAS":"18435-45-5","CAS.Checksum":true,"DTXSID":"DTXSID0066377","Formula":"C19H38","All.Compound.Names":"1-nonadecene|Dtxsid0066377","logHenry":-5.262,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2588,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.144,"logWSol.Reference":"EPA-CCD-OPERA","MP":23.15,"MP.Reference":"EPA-CCD-OPERA","MW":266.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18435-45-5"}
{"Compound":"2-ethyl-1,1'-biphenyl","CAS":"1812-51-7","CAS.Checksum":true,"DTXSID":"DTXSID0068234","Formula":"C14H14","All.Compound.Names":"2-ethyl-1,1'-biphenyl|Dtxsid0068234","logHenry":-3.28,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.022,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.234,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.194,"logWSol.Reference":"EPA-CCD-OPERA","MP":-16,"MP.Reference":"EPA-CCD-OPERA","MW":182.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1812-51-7"}
{"Compound":"Ethyl perfluorobutyl ether","CAS":"163702-05-4","CAS.Checksum":true,"DTXSID":"DTXSID0073118","Formula":"C6H5F9O","All.Compound.Names":"Ethyl perfluorobutyl ether|Dtxsid0073118","logHenry":-2.437,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.968,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.7736,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.294,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.21,"MP.Reference":"EPA-CCD-OPERA","MW":264.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"163702-05-4"}
{"Compound":"1-heptene, 2-methyl-","CAS":"15870-10-7","CAS.Checksum":true,"DTXSID":"DTXSID0074009","Formula":"C8H16","All.Compound.Names":"1-heptene, 2-methyl-|Dtxsid0074009","logHenry":-0.7976,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.316,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6898,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.228,"logWSol.Reference":"EPA-CCD-OPERA","MP":-92.18,"MP.Reference":"EPA-CCD-OPERA","MW":112.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15870-10-7"}
{"Compound":"Difluoromethyl 1h,1h-perfluoropropyl ether","CAS":"56860-81-2","CAS.Checksum":true,"DTXSID":"DTXSID0074059","Formula":"C4H3F7O","All.Compound.Names":"Difluoromethyl 1h,1h-perfluoropropyl ether|Dtxsid0074059","logHenry":-2.296,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.827,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6195,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.98,"logWSol.Reference":"EPA-CCD-OPERA","MP":-117.6,"MP.Reference":"EPA-CCD-OPERA","MW":200.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"56860-81-2"}
{"Compound":"2h-tetrazole, 5-methyl-","CAS":"4076-36-2","CAS.Checksum":true,"DTXSID":"DTXSID0074710","Formula":"C2H4N4","All.Compound.Names":"2h-tetrazole, 5-methyl-|Dtxsid0074710|4076-36-2","logHenry":-7.027,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6988,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.544,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.07755,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.1,"MP.Reference":"EPA-CCD-OPERA","MW":84.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4076-36-2"}
{"Compound":"1-pentanol, 2-propyl-","CAS":"58175-57-8","CAS.Checksum":true,"DTXSID":"DTXSID0074716","Formula":"C8H18O","All.Compound.Names":"1-pentanol, 2-propyl-|Dtxsid0074716|58175-57-8","logHenry":-4.543,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.891,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.881,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.101,"logWSol.Reference":"EPA-CCD-OPERA","MP":-53.93,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58175-57-8"}
{"Compound":"Hentriacontane","CAS":"630-04-6","CAS.Checksum":true,"DTXSID":"DTXSID0075443","Formula":"C31H64","All.Compound.Names":"Hentriacontane|Dtxsid0075443","logHenry":-6.121,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.106,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.577,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.102,"logWSol.Reference":"EPA-CCD-OPERA","MP":67.9,"MP.Reference":"EPA-CCD-OPERA","MW":436.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"630-04-6"}
{"Compound":"1-[(1r,3s)-1,2,2,3-tetramethylcyclopentyl]ethan-1-one","CAS":"59642-07-8","CAS.Checksum":true,"DTXSID":"DTXSID00787081","Formula":"C11H20O","All.Compound.Names":"1-[(1r,3s)-1,2,2,3-tetramethylcyclopentyl]ethan-1-one|Dtxsid00787081","logHenry":-3.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.928,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.069,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.736,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.1714,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59642-07-8"}
{"Compound":"26-(4-nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol","CAS":"14409-72-4","CAS.Checksum":true,"DTXSID":"DTXSID00858720","Formula":"C33H60O10","All.Compound.Names":"26-(4-nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol|Dtxsid00858720|14409-72-4","logHenry":-7.905,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.076,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.492,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.479,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.43,"MP.Reference":"EPA-CCD-OPERA","MW":616.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14409-72-4"}
{"Compound":"Hexadecyl ethyleneglycol monoether","CAS":"2136-71-2","CAS.Checksum":true,"DTXSID":"DTXSID00858846","Formula":"C18H38O2","All.Compound.Names":"Hexadecyl ethyleneglycol monoether|Dtxsid00858846|2136-71-2","logHenry":-6.398,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.517,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.114,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.241,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.51,"MP.Reference":"EPA-CCD-OPERA","MW":286.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2136-71-2"}
{"Compound":"2,4-dinitrobenzenesulfonic acid","CAS":"89-02-1","CAS.Checksum":true,"DTXSID":"DTXSID00859151","Formula":"C6H4N2O7S","All.Compound.Names":"2,4-dinitrobenzenesulfonic acid|Dtxsid00859151|89-02-1","logHenry":-7.273,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.01,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.204,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3761,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.1,"MP.Reference":"EPA-CCD-OPERA","MW":248.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-02-1"}
{"Compound":"Allylbenzene","CAS":"300-57-2","CAS.Checksum":true,"DTXSID":"DTXSID00861855","Formula":"C9H10","All.Compound.Names":"Allylbenzene|Dtxsid00861855","logHenry":-2.568,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.23,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.28,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.054,"logWSol.Reference":"EPA-CCD-OPERA","MP":-40.7,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"300-57-2"}
{"Compound":"1,1'-(1-methyl-1,3-propanediyl)bis-benzene","CAS":"1520-44-1","CAS.Checksum":true,"DTXSID":"DTXSID00862685","Formula":"C16H18","All.Compound.Names":"1,1'-(1-methyl-1,3-propanediyl)bis-benzene|Dtxsid00862685","logHenry":-3.395,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.842,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.605,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.851,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.43,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1520-44-1"}
{"Compound":"Octahydroacridine","CAS":"1658-08-8","CAS.Checksum":true,"DTXSID":"DTXSID00862726","Formula":"C13H17N","All.Compound.Names":"Octahydroacridine|Dtxsid00862726|1658-08-8","logHenry":-3.913,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.214,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.242,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.905,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.2,"MP.Reference":"EPA-CCD-OPERA","MW":187.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.31","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1658-08-8"}
{"Compound":"Cyclobutane, 1,2-diphenyl-","CAS":"3018-21-1","CAS.Checksum":true,"DTXSID":"DTXSID00864104","Formula":"C16H16","All.Compound.Names":"Cyclobutane, 1,2-diphenyl-|Dtxsid00864104","logHenry":-3.997,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.598,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.786,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.868,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.75,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3018-21-1"}
{"Compound":"2,6-dimethylheptadecane","CAS":"54105-67-8","CAS.Checksum":true,"DTXSID":"DTXSID00866401","Formula":"C19H40","All.Compound.Names":"2,6-dimethylheptadecane|Dtxsid00866401","logHenry":-4.474,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.437,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.404,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.187,"logWSol.Reference":"EPA-CCD-OPERA","MP":-27.47,"MP.Reference":"EPA-CCD-OPERA","MW":268.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54105-67-8"}
{"Compound":"Decanoic acid, 2-ethylhexyl ester","CAS":"73947-30-5","CAS.Checksum":true,"DTXSID":"DTXSID00867776","Formula":"C18H36O2","All.Compound.Names":"Decanoic acid, 2-ethylhexyl ester|Dtxsid00867776","logHenry":-6.125,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.523,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.447,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.649,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.571,"MP.Reference":"EPA-CCD-OPERA","MW":284.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"73947-30-5"}
{"Compound":"Heptane, 2,3,6-trimethyl-","CAS":"4032-93-3","CAS.Checksum":true,"DTXSID":"DTXSID00871050","Formula":"C10H22","All.Compound.Names":"Heptane, 2,3,6-trimethyl-|Dtxsid00871050","logHenry":-0.7785,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.834,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.9323,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.582,"logWSol.Reference":"EPA-CCD-OPERA","MP":-115.3,"MP.Reference":"EPA-CCD-OPERA","MW":142.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4032-93-3"}
{"Compound":"2-tetradecanol","CAS":"4706-81-4","CAS.Checksum":true,"DTXSID":"DTXSID00871095","Formula":"C14H30O","All.Compound.Names":"2-tetradecanol|Dtxsid00871095|4706-81-4","logHenry":-4.68,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.692,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.603,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.405,"logWSol.Reference":"EPA-CCD-OPERA","MP":33.96,"MP.Reference":"EPA-CCD-OPERA","MW":214.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4706-81-4"}
{"Compound":"(5e)-5-undecene","CAS":"764-97-6","CAS.Checksum":true,"DTXSID":"DTXSID00874001","Formula":"C11H22","All.Compound.Names":"(5e)-5-undecene|Dtxsid00874001","logHenry":-1.176,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.586,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5834,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.254,"logWSol.Reference":"EPA-CCD-OPERA","MP":-73.87,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"764-97-6"}
{"Compound":"Ammonium 4,8-dioxa-3h-perfluorononanoate","CAS":"958445-44-8","CAS.Checksum":true,"DTXSID":"DTXSID00874026","Formula":"C7H5F12NO4","All.Compound.Names":"Ammonium 4,8-dioxa-3h-perfluorononanoate|Dtxsid00874026|958445-44-8","logHenry":-9.744,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.21,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.04,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.944,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.12,"MP.Reference":"EPA-CCD-OPERA","MW":395.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"958445-44-8"}
{"Compound":"4-(4-chlorophenyl)-4-hydroxy-n,n-dimethyl-alpha,alpha-diphenylpiperidine-1-butyramide monohydrochloride","CAS":"34552-83-5","CAS.Checksum":true,"DTXSID":"DTXSID00880006","Formula":"C29H34Cl2N2O2","All.Compound.Names":"4-(4-chlorophenyl)-4-hydroxy-n,n-dimethyl-alpha,alpha-diphenylpiperidine-1-butyramide monohydrochloride|Dtxsid00880006|34552-83-5","logHenry":-9.836,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.318,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.882,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.655,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.1,"MP.Reference":"EPA-CCD-OPERA","MW":513.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.66","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34552-83-5"}
{"Compound":"Cyclooctane, 1,4-dimethyl-, cis-","CAS":"13151-99-0","CAS.Checksum":true,"DTXSID":"DTXSID00880642","Formula":"C10H20","All.Compound.Names":"Cyclooctane, 1,4-dimethyl-, cis-|Dtxsid00880642","logHenry":-1.162,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.056,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.7473,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.701,"logWSol.Reference":"EPA-CCD-OPERA","MP":-110.7,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13151-99-0"}
{"Compound":"D-citronellol","CAS":"1117-61-9","CAS.Checksum":true,"DTXSID":"DTXSID00880647","Formula":"C10H20O","All.Compound.Names":"D-citronellol|Dtxsid00880647|1117-61-9","logHenry":-5.295,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.909,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.467,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.675,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.674,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1117-61-9"}
{"Compound":"1-(2-vinylphenyl)-1h-isochromene","CAS":"194877-16-2","CAS.Checksum":true,"DTXSID":"DTXSID00880662","Formula":"C17H14O","All.Compound.Names":"1-(2-vinylphenyl)-1h-isochromene|Dtxsid00880662","logHenry":-4.283,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.226,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.991,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.128,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.6,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"194877-16-2"}
{"Compound":"1,e-11,z-13-octadecatriene","CAS":"80625-36-1","CAS.Checksum":true,"DTXSID":"DTXSID00880667","Formula":"C18H32","All.Compound.Names":"1,e-11,z-13-octadecatriene|Dtxsid00880667","logHenry":-4.499,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.078,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3378,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.316,"logWSol.Reference":"EPA-CCD-OPERA","MP":-77.08,"MP.Reference":"EPA-CCD-OPERA","MW":248.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80625-36-1"}
{"Compound":"1,6,10,14,18,22-tetracosahexaen-3-ol, 2,6,10,15,19,23-hexamethyl-, (all-e)-","CAS":"54159-46-5","CAS.Checksum":true,"DTXSID":"DTXSID00880682","Formula":"C30H50O","All.Compound.Names":"1,6,10,14,18,22-tetracosahexaen-3-ol, 2,6,10,15,19,23-hexamethyl-, (all-e)-|Dtxsid00880682|54159-46-5","logHenry":-6.614,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.439,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8457,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.717,"logWSol.Reference":"EPA-CCD-OPERA","MP":33.13,"MP.Reference":"EPA-CCD-OPERA","MW":426.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54159-46-5"}
{"Compound":"2,2-dimethylpropionic acid, decyl ester","CAS":"215667-91-7","CAS.Checksum":true,"DTXSID":"DTXSID00880687","Formula":"C15H30O2","All.Compound.Names":"2,2-dimethylpropionic acid, decyl ester|Dtxsid00880687","logHenry":-5.119,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.261,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.294,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.061,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.039,"MP.Reference":"EPA-CCD-OPERA","MW":242.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"215667-91-7"}
{"Compound":"3-undecene, 2-methyl-, (e)-","CAS":"74630-51-6","CAS.Checksum":true,"DTXSID":"DTXSID00880703","Formula":"C12H24","All.Compound.Names":"3-undecene, 2-methyl-, (e)-|Dtxsid00880703","logHenry":-1.178,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.828,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6215,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.481,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.63,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74630-51-6"}
{"Compound":"Benzene, [1-[[1-(1-methylethyl)-3-butenyl]oxy]ethyl]-, [s-(r*,r*)]-","CAS":"98088-51-8","CAS.Checksum":true,"DTXSID":"DTXSID00880708","Formula":"C15H22O","All.Compound.Names":"Benzene, [1-[[1-(1-methylethyl)-3-butenyl]oxy]ethyl]-, [s-(r*,r*)]-|Dtxsid00880708","logHenry":-3.076,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.116,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.791,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.319,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.92,"MP.Reference":"EPA-CCD-OPERA","MW":218.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98088-51-8"}
{"Compound":"Cholesterol methyl ether","CAS":"1174-92-1","CAS.Checksum":true,"DTXSID":"DTXSID00880723","Formula":"C28H48O","All.Compound.Names":"Cholesterol methyl ether|Dtxsid00880723","logHenry":-6.579,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.139,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.606,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.985,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.01,"MP.Reference":"EPA-CCD-OPERA","MW":400.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1174-92-1"}
{"Compound":"Benzene, 1-(1,5-dimethylhexyl)-4-methyl-","CAS":"1461-02-5","CAS.Checksum":true,"DTXSID":"DTXSID00880728","Formula":"C15H24","All.Compound.Names":"Benzene, 1-(1,5-dimethylhexyl)-4-methyl-|Dtxsid00880728","logHenry":-2.279,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.61,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2946,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.082,"logWSol.Reference":"EPA-CCD-OPERA","MP":-36.08,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1461-02-5"}
{"Compound":"Pentanedioic acid, 2,4-dimethyl-, bis(1-methylpropyl) ester","CAS":"57983-50-3","CAS.Checksum":true,"DTXSID":"DTXSID00880743","Formula":"C15H28O4","All.Compound.Names":"Pentanedioic acid, 2,4-dimethyl-, bis(1-methylpropyl) ester|Dtxsid00880743","logHenry":-6.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.289,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.148,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.809,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.74,"MP.Reference":"EPA-CCD-OPERA","MW":272.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57983-50-3"}
{"Compound":"Benzene, (1-methyl-1-propylpentyl)-","CAS":"54932-91-1","CAS.Checksum":true,"DTXSID":"DTXSID00880748","Formula":"C15H24","All.Compound.Names":"Benzene, (1-methyl-1-propylpentyl)-|Dtxsid00880748","logHenry":-2.266,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.011,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1029,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.71,"logWSol.Reference":"EPA-CCD-OPERA","MP":-42.73,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54932-91-1"}
{"Compound":"Benzoic acid, 1-methylpropyl ester","CAS":"3306-36-3","CAS.Checksum":true,"DTXSID":"DTXSID00880763","Formula":"C11H14O2","All.Compound.Names":"Benzoic acid, 1-methylpropyl ester|Dtxsid00880763","logHenry":-4.126,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.285,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.585,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.04,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.78,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3306-36-3"}
{"Compound":"9,12,15-octadecatrienal","CAS":"26537-71-3","CAS.Checksum":true,"DTXSID":"DTXSID00880768","Formula":"C18H30O","All.Compound.Names":"9,12,15-octadecatrienal|Dtxsid00880768","logHenry":-6.349,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.752,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.203,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.734,"logWSol.Reference":"EPA-CCD-OPERA","MP":36.56,"MP.Reference":"EPA-CCD-OPERA","MW":262.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26537-71-3"}
{"Compound":"Cyclohexane, 1,1,2,3-tetramethyl-","CAS":"6783-92-2","CAS.Checksum":true,"DTXSID":"DTXSID00880783","Formula":"C10H20","All.Compound.Names":"Cyclohexane, 1,1,2,3-tetramethyl-|Dtxsid00880783","logHenry":-1.143,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.88,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.7326,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.462,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.51,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6783-92-2"}
{"Compound":"Benzene, 1-methyl-4-[(2-propenyloxy)methyl]-","CAS":"42463-79-6","CAS.Checksum":true,"DTXSID":"DTXSID00880788","Formula":"C11H14O","All.Compound.Names":"Benzene, 1-methyl-4-[(2-propenyloxy)methyl]-|Dtxsid00880788","logHenry":-3.409,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.862,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.82,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.359,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.879,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42463-79-6"}
{"Compound":"Naphtho[2,3-b]thiophene, 4,9-dimethyl-","CAS":"16587-34-1","CAS.Checksum":true,"DTXSID":"DTXSID00880804","Formula":"C14H12S","All.Compound.Names":"Naphtho[2,3-b]thiophene, 4,9-dimethyl-|Dtxsid00880804","logHenry":-4.094,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.978,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.197,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.766,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.81,"MP.Reference":"EPA-CCD-OPERA","MW":212.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16587-34-1"}
{"Compound":"Dibenzothiophene, 4-methyl-","CAS":"7372-88-5","CAS.Checksum":true,"DTXSID":"DTXSID00880809","Formula":"C13H10S","All.Compound.Names":"Dibenzothiophene, 4-methyl-|Dtxsid00880809|4-methyldibenzothiophene","logHenry":-4.088,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.653,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.156,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.007,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.76,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7372-88-5"}
{"Compound":"Cyclohexane, 1,2,4,5-tetraethyl-, (1.alpha.,2.alpha.,4.alpha.,5.alpha.)-","CAS":"61142-24-3","CAS.Checksum":true,"DTXSID":"DTXSID00880824","Formula":"C14H28","All.Compound.Names":"Cyclohexane, 1,2,4,5-tetraethyl-, (1.alpha.,2.alpha.,4.alpha.,5.alpha.)-|Dtxsid00880824","logHenry":-1.187,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.058,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2734,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.937,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.28,"MP.Reference":"EPA-CCD-OPERA","MW":196.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61142-24-3"}
{"Compound":"Cis-3-butyl-4-vinyl-cyclopentene","CAS":"93779-52-3","CAS.Checksum":true,"DTXSID":"DTXSID00880829","Formula":"C11H18","All.Compound.Names":"Cis-3-butyl-4-vinyl-cyclopentene|Dtxsid00880829","logHenry":-1.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.036,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2096,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.292,"logWSol.Reference":"EPA-CCD-OPERA","MP":-133.3,"MP.Reference":"EPA-CCD-OPERA","MW":150.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93779-52-3"}
{"Compound":"Cyclohexene, 4-(4-ethylcyclohexyl)-1-pentyl-","CAS":"301643-32-3","CAS.Checksum":true,"DTXSID":"DTXSID00880844","Formula":"C19H34","All.Compound.Names":"Cyclohexene, 4-(4-ethylcyclohexyl)-1-pentyl-|Dtxsid00880844","logHenry":-3.818,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.706,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2479,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.278,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.768,"MP.Reference":"EPA-CCD-OPERA","MW":262.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"301643-32-3"}
{"Compound":"6-tridecanol","CAS":"5770-03-6","CAS.Checksum":true,"DTXSID":"DTXSID00880849","Formula":"C13H28O","All.Compound.Names":"6-tridecanol|Dtxsid00880849|5770-03-6","logHenry":-4.683,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.374,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.294,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.021,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.597,"MP.Reference":"EPA-CCD-OPERA","MW":200.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5770-03-6"}
{"Compound":"2-tridecene, (z)-","CAS":"41446-59-7","CAS.Checksum":true,"DTXSID":"DTXSID00880864","Formula":"C13H26","All.Compound.Names":"2-tridecene, (z)-|Dtxsid00880864","logHenry":-1.938,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.896,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1128,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.53,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.58,"MP.Reference":"EPA-CCD-OPERA","MW":182.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41446-59-7"}
{"Compound":"Cyclopropane, nonyl-","CAS":"74663-85-7","CAS.Checksum":true,"DTXSID":"DTXSID00880869","Formula":"C12H24","All.Compound.Names":"Cyclopropane, nonyl-|Dtxsid00880869","logHenry":-1.868,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.891,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1025,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.012,"logWSol.Reference":"EPA-CCD-OPERA","MP":-129.7,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74663-85-7"}
{"Compound":"Propanedinitrile, cyclohexyl(2-methylcyclohexyl)-","CAS":"74764-55-9","CAS.Checksum":true,"DTXSID":"DTXSID00880884","Formula":"C16H24N2","All.Compound.Names":"Propanedinitrile, cyclohexyl(2-methylcyclohexyl)-|Dtxsid00880884","logHenry":-4.153,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.723,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.311,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.829,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.3,"MP.Reference":"EPA-CCD-OPERA","MW":244.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74764-55-9"}
{"Compound":"Trans-3-hexenyl acetate","CAS":"3681-82-1","CAS.Checksum":true,"DTXSID":"DTXSID00880889","Formula":"C8H14O2","All.Compound.Names":"Trans-3-hexenyl acetate|Dtxsid00880889","logHenry":-3.336,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.582,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.916,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.028,"logWSol.Reference":"EPA-CCD-OPERA","MP":-66.84,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3681-82-1"}
{"Compound":"Hexadecenoic acid, z-11-","CAS":"2416-20-8","CAS.Checksum":true,"DTXSID":"DTXSID00880900","Formula":"C16H30O2","All.Compound.Names":"Hexadecenoic acid, z-11-|Dtxsid00880900|2416-20-8","logHenry":-8.383,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.623,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.252,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.996,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.76,"MP.Reference":"EPA-CCD-OPERA","MW":254.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2416-20-8"}
{"Compound":"2-propenoic acid, 3-phenyl-, phenylmethyl ester, (e)-","CAS":"78277-23-3","CAS.Checksum":true,"DTXSID":"DTXSID00880905","Formula":"C16H14O2","All.Compound.Names":"2-propenoic acid, 3-phenyl-, phenylmethyl ester, (e)-|Dtxsid00880905","logHenry":-7.738,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.622,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.586,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.476,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.11,"MP.Reference":"EPA-CCD-OPERA","MW":238.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78277-23-3"}
{"Compound":"4h-pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-","CAS":"28564-83-2","CAS.Checksum":true,"DTXSID":"DTXSID00880920","Formula":"C6H8O4","All.Compound.Names":"4h-pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-|Dtxsid00880920|28564-83-2","logHenry":-8.671,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.633,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.686,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1363,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.93,"MP.Reference":"EPA-CCD-OPERA","MW":144.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28564-83-2"}
{"Compound":"Benzene, (1,1-diethylpropyl)-","CAS":"4170-84-7","CAS.Checksum":true,"DTXSID":"DTXSID00880925","Formula":"C13H20","All.Compound.Names":"Benzene, (1,1-diethylpropyl)-|Dtxsid00880925","logHenry":-1.796,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.338,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3832,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.271,"logWSol.Reference":"EPA-CCD-OPERA","MP":-42.5,"MP.Reference":"EPA-CCD-OPERA","MW":176.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4170-84-7"}
{"Compound":"1h-cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1ar-(1aalpha,4aalpha,7beta,7abeta,7balpha)]-","CAS":"6750-60-3","CAS.Checksum":true,"DTXSID":"DTXSID00881210","Formula":"C15H24O","All.Compound.Names":"1h-cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1ar-(1aalpha,4aalpha,7beta,7abeta,7balpha)]-|Dtxsid00881210|Spathulenol|6750-60-3","logHenry":-5.993,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.864,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.389,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.939,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.47,"MP.Reference":"EPA-CCD-OPERA","MW":220.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6750-60-3"}
{"Compound":"Gamma-elemene","CAS":"29873-99-2","CAS.Checksum":true,"DTXSID":"DTXSID00881215","Formula":"C15H24","All.Compound.Names":"Gamma-elemene|Dtxsid00881215","logHenry":-2.107,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.703,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8576,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.195,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.63,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29873-99-2"}
{"Compound":"17-pentatriacontene","CAS":"6971-40-0","CAS.Checksum":true,"DTXSID":"DTXSID00881250","Formula":"C35H70","All.Compound.Names":"17-pentatriacontene|Dtxsid00881250","logHenry":-6.1,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.753,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.925,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.246,"logWSol.Reference":"EPA-CCD-OPERA","MP":-54.23,"MP.Reference":"EPA-CCD-OPERA","MW":490.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6971-40-0"}
{"Compound":"Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid","CAS":"13252-14-7","CAS.Checksum":true,"DTXSID":"DTXSID00892442","Formula":"C9HF17O4","All.Compound.Names":"Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid|Dtxsid00892442|13252-14-7","logHenry":-9.827,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.458,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4032,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.496,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.98,"MP.Reference":"EPA-CCD-OPERA","MW":496.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"13252-14-7"}
{"Compound":"Methylergonovine","CAS":"113-42-8","CAS.Checksum":true,"DTXSID":"DTXSID00904978","Formula":"C20H25N3O2","All.Compound.Names":"Methylergonovine|113-42-8|Dtxsid00904978","logHenry":-9.781,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.72,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.638,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.639,"logWSol.Reference":"EPA-CCD-OPERA","MP":172,"MP.Reference":"EPA-CCD-OPERA","MW":339.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.65","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.6,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"113-42-8"}
{"Compound":"(+)-preclamol","CAS":"85976-54-1","CAS.Checksum":true,"DTXSID":"DTXSID101017364","Formula":"C14H21NO","All.Compound.Names":"(+)-preclamol|Dtxsid101017364|85976-54-1","logHenry":-9.057,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.069,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.027,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.43,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.31,"MP.Reference":"EPA-CCD-OPERA","MW":219.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85976-54-1"}
{"Compound":"Dipyrone monohydrate","CAS":"5907-38-0","CAS.Checksum":true,"DTXSID":"DTXSID10110043","Formula":"C13H18N3NaO5S","All.Compound.Names":"Dipyrone monohydrate|Dtxsid10110043|5907-38-0","logHenry":-10.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.359,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.41,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.111,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.9,"MP.Reference":"EPA-CCD-OPERA","MW":351.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-3.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5907-38-0"}
{"Compound":"4-(3-ethoxy-4-hydroxyphenyl)-2-butanone","CAS":"569646-79-3","CAS.Checksum":true,"DTXSID":"DTXSID101278928","Formula":"C12H16O3","All.Compound.Names":"4-(3-ethoxy-4-hydroxyphenyl)-2-butanone|569646-79-3","logHenry":-9.17,"logHenry.Reference":"OPERA29","logP":1.9,"logP.Reference":"OPERA29","logWSol":-2.06,"logWSol.Reference":"OPERA29","MP":62,"MP.Reference":"OPERA29","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"569646-79-3"}
{"Compound":"(1,1-dimethylbutyl)benzene","CAS":"1985-57-5","CAS.Checksum":true,"DTXSID":"DTXSID10173597","Formula":"C12H18","All.Compound.Names":"(1,1-dimethylbutyl)benzene|Dtxsid10173597","logHenry":-1.903,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.039,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.189,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.755,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.08,"MP.Reference":"EPA-CCD-OPERA","MW":162.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1985-57-5"}
{"Compound":"1,4,6-trimethylnaphthalene","CAS":"2131-42-2","CAS.Checksum":true,"DTXSID":"DTXSID10175576","Formula":"C13H14","All.Compound.Names":"1,4,6-trimethylnaphthalene|Dtxsid10175576","logHenry":-3.235,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.656,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.082,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.947,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.72,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2131-42-2"}
{"Compound":"2-decyne","CAS":"2384-70-5","CAS.Checksum":true,"DTXSID":"DTXSID10178542","Formula":"C10H18","All.Compound.Names":"2-decyne|Dtxsid10178542","logHenry":-1.175,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.998,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.081,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.141,"logWSol.Reference":"EPA-CCD-OPERA","MP":-71.67,"MP.Reference":"EPA-CCD-OPERA","MW":138.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2384-70-5"}
{"Compound":"Perfluorobutyraldehyde","CAS":"375-02-0","CAS.Checksum":true,"DTXSID":"DTXSID10190946","Formula":"C4HF7O","All.Compound.Names":"Perfluorobutyraldehyde|Dtxsid10190946","logHenry":-2.237,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.93,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3361,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.95,"logWSol.Reference":"EPA-CCD-OPERA","MP":-114.3,"MP.Reference":"EPA-CCD-OPERA","MW":198,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"375-02-0"}
{"Compound":"1-methoxysilatrane","CAS":"4025-80-3","CAS.Checksum":true,"DTXSID":"DTXSID10193230","Formula":"C7H15NO4Si","All.Compound.Names":"1-methoxysilatrane|Dtxsid10193230|4025-80-3","logHenry":-6.414,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4969,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.505,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2942,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.75,"MP.Reference":"EPA-CCD-OPERA","MW":205.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.19","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4025-80-3"}
{"Compound":"N-heptyl isocyanate","CAS":"4747-81-3","CAS.Checksum":true,"DTXSID":"DTXSID10197152","Formula":"C8H15NO","All.Compound.Names":"N-heptyl isocyanate|Dtxsid10197152|4747-81-3","logHenry":-3.304,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.152,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.323,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.804,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.63,"MP.Reference":"EPA-CCD-OPERA","MW":141.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4747-81-3"}
{"Compound":"Chloroethane","CAS":"75-00-3","CAS.Checksum":true,"DTXSID":"DTXSID1020302","Formula":"C2H5Cl","All.Compound.Names":"Chloroethane|Dtxsid1020302","logHenry":-1.955,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.43,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7623,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.034,"logWSol.Reference":"EPA-CCD-OPERA","MP":-138.5,"MP.Reference":"EPA-CCD-OPERA","MW":64.51,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-00-3"}
{"Compound":"Heptaethylene glycol","CAS":"5617-32-3","CAS.Checksum":true,"DTXSID":"DTXSID10204698","Formula":"C14H30O8","All.Compound.Names":"Heptaethylene glycol|Dtxsid10204698|5617-32-3","logHenry":-9.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.01193,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.165,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.04982,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.71,"MP.Reference":"EPA-CCD-OPERA","MW":326.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.58","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5617-32-3"}
{"Compound":"2,3-dimethylpentanal","CAS":"32749-94-3","CAS.Checksum":true,"DTXSID":"DTXSID1022213","Formula":"C7H14O","All.Compound.Names":"2,3-dimethylpentanal|Dtxsid1022213","logHenry":-3.731,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.059,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.869,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.649,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.09,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32749-94-3"}
{"Compound":"Hex-2-ynal, 4-ethyl-","CAS":"71932-97-3","CAS.Checksum":true,"DTXSID":"DTXSID10222216","Formula":"C8H12O","All.Compound.Names":"Hex-2-ynal, 4-ethyl-|Dtxsid10222216","logHenry":-3.747,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.127,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.038,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.192,"logWSol.Reference":"EPA-CCD-OPERA","MP":-48.4,"MP.Reference":"EPA-CCD-OPERA","MW":124.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71932-97-3"}
{"Compound":"1,2-propanediamine, 2-methyl-","CAS":"811-93-8","CAS.Checksum":true,"DTXSID":"DTXSID10230896","Formula":"C4H12N2","All.Compound.Names":"1,2-propanediamine, 2-methyl-|Dtxsid10230896|811-93-8","logHenry":-7.34,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.509,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.422,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7484,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.43,"MP.Reference":"EPA-CCD-OPERA","MW":88.15,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"811-93-8"}
{"Compound":"Methergine","CAS":"57432-61-8","CAS.Checksum":true,"DTXSID":"DTXSID1023283","Formula":"C24H29N3O6","All.Compound.Names":"Methergine|Dtxsid1023283|57432-61-8","logHenry":-9.988,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6637,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.654,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.202,"logWSol.Reference":"EPA-CCD-OPERA","MP":168.5,"MP.Reference":"EPA-CCD-OPERA","MW":455.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.65","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57432-61-8"}
{"Compound":"Eicosane","CAS":"112-95-8","CAS.Checksum":true,"DTXSID":"DTXSID1025227","Formula":"C20H42","All.Compound.Names":"Eicosane|Dtxsid1025227","logHenry":-5.267,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.416,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5913,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.171,"logWSol.Reference":"EPA-CCD-OPERA","MP":36.77,"MP.Reference":"EPA-CCD-OPERA","MW":282.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-95-8"}
{"Compound":"2-butenedioic acid (2z)-, dioctyl ester","CAS":"2915-53-9","CAS.Checksum":true,"DTXSID":"DTXSID1027508","Formula":"C20H36O4","All.Compound.Names":"2-butenedioic acid (2z)-, dioctyl ester|Dtxsid1027508","logHenry":-6.527,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.38,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.489,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.821,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.071,"MP.Reference":"EPA-CCD-OPERA","MW":340.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2915-53-9"}
{"Compound":"Phenyl octanoate","CAS":"5457-78-3","CAS.Checksum":true,"DTXSID":"DTXSID10282052","Formula":"C14H20O2","All.Compound.Names":"Phenyl octanoate|Dtxsid10282052","logHenry":-5.098,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.891,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.528,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.841,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.46,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5457-78-3"}
{"Compound":"2-octyl benzoate","CAS":"6938-51-8","CAS.Checksum":true,"DTXSID":"DTXSID10288059","Formula":"C15H22O2","All.Compound.Names":"2-octyl benzoate|Dtxsid10288059","logHenry":-5.892,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.053,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.461,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.486,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.16,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6938-51-8"}
{"Compound":"2,3-dimethyl-2-(propan-2-yl)butanoic acid","CAS":"23119-04-2","CAS.Checksum":true,"DTXSID":"DTXSID10289223","Formula":"C9H18O2","All.Compound.Names":"2,3-dimethyl-2-(propan-2-yl)butanoic acid|Dtxsid10289223|23119-04-2","logHenry":-6.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.088,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.797,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.043,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.97,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23119-04-2"}
{"Compound":"2,8-dimethylundecane","CAS":"17301-25-6","CAS.Checksum":true,"DTXSID":"DTXSID10333992","Formula":"C13H28","All.Compound.Names":"2,8-dimethylundecane|Dtxsid10333992","logHenry":-0.8374,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.505,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6306,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.876,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.77,"MP.Reference":"EPA-CCD-OPERA","MW":184.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17301-25-6"}
{"Compound":"3,5-dimethylhex-2-ene","CAS":"3404-79-3","CAS.Checksum":true,"DTXSID":"DTXSID10334424","Formula":"C8H16","All.Compound.Names":"3,5-dimethylhex-2-ene|Dtxsid10334424","logHenry":-0.6904,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.134,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2037,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.106,"logWSol.Reference":"EPA-CCD-OPERA","MP":-109.7,"MP.Reference":"EPA-CCD-OPERA","MW":112.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3404-79-3"}
{"Compound":"4-tetradecyne","CAS":"60212-33-1","CAS.Checksum":true,"DTXSID":"DTXSID10334782","Formula":"C14H26","All.Compound.Names":"4-tetradecyne|Dtxsid10334782","logHenry":-2.012,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.786,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.05741,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.328,"logWSol.Reference":"EPA-CCD-OPERA","MP":-68.34,"MP.Reference":"EPA-CCD-OPERA","MW":194.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60212-33-1"}
{"Compound":"Methyl 15-methylhexadecanoate","CAS":"6929-04-0","CAS.Checksum":true,"DTXSID":"DTXSID10334924","Formula":"C18H36O2","All.Compound.Names":"Methyl 15-methylhexadecanoate|Dtxsid10334924","logHenry":-6.505,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.648,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.322,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.606,"logWSol.Reference":"EPA-CCD-OPERA","MP":10.26,"MP.Reference":"EPA-CCD-OPERA","MW":284.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6929-04-0"}
{"Compound":"11-nitro-1-undecene","CAS":"40244-98-2","CAS.Checksum":true,"DTXSID":"DTXSID10337652","Formula":"C11H21NO2","All.Compound.Names":"11-nitro-1-undecene|Dtxsid10337652","logHenry":-3.186,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.718,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.017,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.639,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.831,"MP.Reference":"EPA-CCD-OPERA","MW":199.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"40244-98-2"}
{"Compound":"5-ethyl-2,2,3-trimethylheptane","CAS":"62199-06-8","CAS.Checksum":true,"DTXSID":"DTXSID10337990","Formula":"C12H26","All.Compound.Names":"5-ethyl-2,2,3-trimethylheptane|Dtxsid10337990","logHenry":-1.61,"logHenry.Reference":"OPERA29","logP":6.04,"logP.Reference":"OPERA29","logWSol":-6.16,"logWSol.Reference":"OPERA29","MP":-51,"MP.Reference":"OPERA29","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62199-06-8"}
{"Compound":"1-propene, 3-[2-(2-methoxyethoxy)ethoxy]-","CAS":"13752-97-1","CAS.Checksum":true,"DTXSID":"DTXSID10338220","Formula":"C8H16O3","All.Compound.Names":"1-propene, 3-[2-(2-methoxyethoxy)ethoxy]-|Dtxsid10338220","logHenry":-4.579,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1241,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.197,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4168,"logWSol.Reference":"EPA-CCD-OPERA","MP":-37.69,"MP.Reference":"EPA-CCD-OPERA","MW":160.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13752-97-1"}
{"Compound":"2,4-diethyl-1-methylcyclohexane","CAS":"61142-70-9","CAS.Checksum":true,"DTXSID":"DTXSID10338568","Formula":"C11H22","All.Compound.Names":"2,4-diethyl-1-methylcyclohexane|Dtxsid10338568","logHenry":-1.177,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.287,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6742,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.719,"logWSol.Reference":"EPA-CCD-OPERA","MP":-82.4,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61142-70-9"}
{"Compound":"Potassium 2,4-hexadienoate","CAS":"590-00-1","CAS.Checksum":true,"DTXSID":"DTXSID1034925","Formula":"C6H7KO2","All.Compound.Names":"Potassium 2,4-hexadienoate|Dtxsid1034925|590-00-1","logHenry":-6.177,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.787,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.599,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.704,"logWSol.Reference":"EPA-CCD-OPERA","MP":223,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"590-00-1"}
{"Compound":"Allyl perfluoroisopropyl ether","CAS":"15242-17-8","CAS.Checksum":true,"DTXSID":"DTXSID10370988","Formula":"C6H5F7O","All.Compound.Names":"Allyl perfluoroisopropyl ether|Dtxsid10370988","logHenry":-2.335,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.205,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.07887,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.208,"logWSol.Reference":"EPA-CCD-OPERA","MP":-71.15,"MP.Reference":"EPA-CCD-OPERA","MW":226.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"15242-17-8"}
{"Compound":"6h-perfluorohex-1-ene","CAS":"1767-94-8","CAS.Checksum":true,"DTXSID":"DTXSID10379850","Formula":"C6HF11","All.Compound.Names":"6h-perfluorohex-1-ene|Dtxsid10379850","logHenry":-2.622,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.374,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.172,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.052,"logWSol.Reference":"EPA-CCD-OPERA","MP":-63.46,"MP.Reference":"EPA-CCD-OPERA","MW":282.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"1767-94-8"}
{"Compound":"3-(perfluoro-2-butyl)propane-1,2-diol","CAS":"125070-38-4","CAS.Checksum":true,"DTXSID":"DTXSID10382147","Formula":"C7H7F9O2","All.Compound.Names":"3-(perfluoro-2-butyl)propane-1,2-diol|Dtxsid10382147|125070-38-4","logHenry":-9.793,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.398,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.573,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.336,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.82,"MP.Reference":"EPA-CCD-OPERA","MW":294.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"125070-38-4"}
{"Compound":"2-amino-5-(diethylamino)toluene monohydrochloride","CAS":"2051-79-8","CAS.Checksum":true,"DTXSID":"DTXSID1038799","Formula":"C11H19ClN2","All.Compound.Names":"2-amino-5-(diethylamino)toluene monohydrochloride|Dtxsid1038799|2051-79-8","logHenry":-6.411,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1141,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.097,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.853,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.2,"MP.Reference":"EPA-CCD-OPERA","MW":214.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2051-79-8"}
{"Compound":"Resorcinol monobenzoate","CAS":"136-36-7","CAS.Checksum":true,"DTXSID":"DTXSID1038878","Formula":"C13H10O3","All.Compound.Names":"Resorcinol monobenzoate|Dtxsid1038878|136-36-7","logHenry":-8.897,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.297,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.326,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.005,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.1,"MP.Reference":"EPA-CCD-OPERA","MW":214.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"136-36-7"}
{"Compound":"Phytol","CAS":"150-86-7","CAS.Checksum":true,"DTXSID":"DTXSID1040586","Formula":"C20H40O","All.Compound.Names":"Phytol|Dtxsid1040586|150-86-7","logHenry":-7.536,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.617,"logP.Reference":"EPA-CCD-OPERA","logPwa":2,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.94,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.19,"MP.Reference":"EPA-CCD-OPERA","MW":296.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"150-86-7"}
{"Compound":"(+)-cedrol","CAS":"77-53-2","CAS.Checksum":true,"DTXSID":"DTXSID1041269","Formula":"C15H26O","All.Compound.Names":"(+)-cedrol|Dtxsid1041269|77-53-2","logHenry":-5.062,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.165,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.067,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.406,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.06,"MP.Reference":"EPA-CCD-OPERA","MW":222.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77-53-2"}
{"Compound":"Pregnane","CAS":"24909-91-9","CAS.Checksum":true,"DTXSID":"DTXSID10425881","Formula":"C21H36","All.Compound.Names":"Pregnane|Dtxsid10425881","logHenry":-4,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.837,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.02291,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.096,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.81,"MP.Reference":"EPA-CCD-OPERA","MW":288.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24909-91-9"}
{"Compound":"D&c red no. 33","CAS":"3567-66-6","CAS.Checksum":true,"DTXSID":"DTXSID1044562","Formula":"C16H11N3Na2O7S2","All.Compound.Names":"D&c red no. 33|Dtxsid1044562|3567-66-6","logHenry":-9.606,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.329,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.104,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8487,"logWSol.Reference":"EPA-CCD-OPERA","MP":229.7,"MP.Reference":"EPA-CCD-OPERA","MW":467.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3567-66-6"}
{"Compound":"Titanium(4+) tetrakis(2-ethyl-3-hydroxyhexan-1-olate)","CAS":"5575-43-9","CAS.Checksum":true,"DTXSID":"DTXSID1044695","Formula":"C32H68O8Ti","All.Compound.Names":"Titanium(4+) tetrakis(2-ethyl-3-hydroxyhexan-1-olate)|5575-43-9","logHenry":-9.1,"logHenry.Reference":"OPERA29","logP":3.35,"logP.Reference":"OPERA29","logWSol":-0.54,"logWSol.Reference":"OPERA29","MP":-40,"MP.Reference":"OPERA29","MW":628.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5575-43-9"}
{"Compound":"Diethyl hydrogen phosphate","CAS":"598-02-7","CAS.Checksum":true,"DTXSID":"DTXSID1044699","Formula":"C4H11O4P","All.Compound.Names":"Diethyl hydrogen phosphate|Dtxsid1044699|598-02-7","logHenry":-6.577,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2185,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.296,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.00283,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.78,"MP.Reference":"EPA-CCD-OPERA","MW":154.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"598-02-7"}
{"Compound":"3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate","CAS":"7575-23-7","CAS.Checksum":true,"DTXSID":"DTXSID1044728","Formula":"C17H28O8S4","All.Compound.Names":"3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate|Dtxsid1044728|7575-23-7","logHenry":-9.661,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.548,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.18,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.464,"logWSol.Reference":"EPA-CCD-OPERA","MP":99.68,"MP.Reference":"EPA-CCD-OPERA","MW":488.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7575-23-7"}
{"Compound":"(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)triethane-2,1-diyl trisprop-2-enoate","CAS":"40220-08-4","CAS.Checksum":true,"DTXSID":"DTXSID1044936","Formula":"C18H21N3O9","All.Compound.Names":"(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)triethane-2,1-diyl trisprop-2-enoate|Dtxsid1044936|40220-08-4","logHenry":-6.704,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8466,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.83,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.881,"logWSol.Reference":"EPA-CCD-OPERA","MP":123,"MP.Reference":"EPA-CCD-OPERA","MW":423.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"40220-08-4"}
{"Compound":"5,6-dihydro-4h-benzo[de]anthracene","CAS":"4389-09-7","CAS.Checksum":true,"DTXSID":"DTXSID10460510","Formula":"C17H14","All.Compound.Names":"5,6-dihydro-4h-benzo[de]anthracene|Dtxsid10460510","logHenry":-4.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.515,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.131,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.563,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.7,"MP.Reference":"EPA-CCD-OPERA","MW":218.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4389-09-7"}
{"Compound":"1h,2h-hexafluorocyclopentene","CAS":"1005-73-8","CAS.Checksum":true,"DTXSID":"DTXSID10461880","Formula":"C5H2F6","All.Compound.Names":"1h,2h-hexafluorocyclopentene|Dtxsid10461880","logHenry":-1.166,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.92,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.639,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.806,"logWSol.Reference":"EPA-CCD-OPERA","MP":-52.69,"MP.Reference":"EPA-CCD-OPERA","MW":176.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"1005-73-8"}
{"Compound":"Kanamycin a sulfate","CAS":"25389-94-0","CAS.Checksum":true,"DTXSID":"DTXSID1047524","Formula":"C18H38N4O15S","All.Compound.Names":"Kanamycin a sulfate|Dtxsid1047524|25389-94-0","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8069,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.798,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3153,"logWSol.Reference":"EPA-CCD-OPERA","MP":142.1,"MP.Reference":"EPA-CCD-OPERA","MW":582.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.61","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25389-94-0"}
{"Compound":"(3z)-hex-3-en-1-yl formate","CAS":"33467-73-1","CAS.Checksum":true,"DTXSID":"DTXSID1047572","Formula":"C7H12O2","All.Compound.Names":"(3z)-hex-3-en-1-yl formate|Dtxsid1047572","logHenry":-3.667,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.178,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.614,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.783,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.69,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33467-73-1"}
{"Compound":"Allyl hexanoate","CAS":"123-68-2","CAS.Checksum":true,"DTXSID":"DTXSID1047653","Formula":"C9H16O2","All.Compound.Names":"Allyl hexanoate|Dtxsid1047653","logHenry":-3.269,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.933,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.39,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.447,"logWSol.Reference":"EPA-CCD-OPERA","MP":-62.38,"MP.Reference":"EPA-CCD-OPERA","MW":156.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-68-2"}
{"Compound":"Ym 218","CAS":"387816-82-2","CAS.Checksum":true,"DTXSID":"DTXSID1048176","Formula":"C74H80F4N8O12","All.Compound.Names":"Ym 218|Dtxsid1048176|387816-82-2","logHenry":-9.922,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6952,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.68,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.299,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.9,"MP.Reference":"EPA-CCD-OPERA","MW":1349,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.55","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"387816-82-2"}
{"Compound":"(+)-cyclazocine","CAS":"7313-87-3","CAS.Checksum":true,"DTXSID":"DTXSID1049011","Formula":"C18H25NO","All.Compound.Names":"(+)-cyclazocine|Dtxsid1049011|7313-87-3","logHenry":-5.567,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.769,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.867,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.538,"logWSol.Reference":"EPA-CCD-OPERA","MP":202.4,"MP.Reference":"EPA-CCD-OPERA","MW":271.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7313-87-3"}
{"Compound":"Fiduxosin hydrochloride","CAS":"208992-74-9","CAS.Checksum":true,"DTXSID":"DTXSID1049013","Formula":"C30H30ClN5O4S","All.Compound.Names":"Fiduxosin hydrochloride|Dtxsid1049013|208992-74-9","logHenry":-7.393,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.748,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.634,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.642,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.3,"MP.Reference":"EPA-CCD-OPERA","MW":592.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"208992-74-9"}
{"Compound":"1-iodododecane","CAS":"4292-19-7","CAS.Checksum":true,"DTXSID":"DTXSID1049302","Formula":"C12H25I","All.Compound.Names":"1-iodododecane|Dtxsid1049302","logHenry":-2.26,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.572,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8643,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.444,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.1022,"MP.Reference":"EPA-CCD-OPERA","MW":296.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4292-19-7"}
{"Compound":"Pyrimidine","CAS":"289-95-2","CAS.Checksum":true,"DTXSID":"DTXSID1051228","Formula":"C4H4N2","All.Compound.Names":"Pyrimidine|Dtxsid1051228|289-95-2","logHenry":-5.387,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3984,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.135,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.097,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.35,"MP.Reference":"EPA-CCD-OPERA","MW":80.09,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.46","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"289-95-2"}
{"Compound":"Thiodiglycolic acid","CAS":"123-93-3","CAS.Checksum":true,"DTXSID":"DTXSID1051432","Formula":"C4H6O4S","All.Compound.Names":"Thiodiglycolic acid|Dtxsid1051432|123-93-3","logHenry":-10.23,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4303,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.31,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4235,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.2,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-93-3"}
{"Compound":"2-(2-methylpropoxy)naphthalene","CAS":"2173-57-1","CAS.Checksum":true,"DTXSID":"DTXSID1051484","Formula":"C14H16O","All.Compound.Names":"2-(2-methylpropoxy)naphthalene|Dtxsid1051484","logHenry":-3.911,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.182,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.236,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.208,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.93,"MP.Reference":"EPA-CCD-OPERA","MW":200.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2173-57-1"}
{"Compound":"Ethylenediamine-n,n'-disuccinic acid","CAS":"20846-91-7","CAS.Checksum":true,"DTXSID":"DTXSID1051852","Formula":"C10H16N2O8","All.Compound.Names":"Ethylenediamine-n,n'-disuccinic acid|Dtxsid1051852|20846-91-7","logHenry":-10.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.213,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.73,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5412,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.1,"MP.Reference":"EPA-CCD-OPERA","MW":292.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20846-91-7"}
{"Compound":"Pinakryptol yellow","CAS":"25910-85-4","CAS.Checksum":true,"DTXSID":"DTXSID1051933","Formula":"C21H22N2O7S","All.Compound.Names":"Pinakryptol yellow|Dtxsid1051933|25910-85-4","logHenry":-6.15,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5449,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.04,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.426,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.7,"MP.Reference":"EPA-CCD-OPERA","MW":446.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25910-85-4"}
{"Compound":"2,6-dimethyloct-6-en-2-ol","CAS":"30385-25-2","CAS.Checksum":true,"DTXSID":"DTXSID1051981","Formula":"C10H20O","All.Compound.Names":"2,6-dimethyloct-6-en-2-ol|Dtxsid1051981|30385-25-2","logHenry":-5.234,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.074,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.681,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.583,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.651,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"30385-25-2"}
{"Compound":"1,3-dihydro-3,3-bis(4-hydroxy-m-tolyl)-2h-indol-2-one","CAS":"47465-97-4","CAS.Checksum":true,"DTXSID":"DTXSID1052119","Formula":"C22H19NO3","All.Compound.Names":"1,3-dihydro-3,3-bis(4-hydroxy-m-tolyl)-2h-indol-2-one|Dtxsid1052119|47465-97-4","logHenry":-9.436,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.757,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.593,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.349,"logWSol.Reference":"EPA-CCD-OPERA","MP":229.2,"MP.Reference":"EPA-CCD-OPERA","MW":345.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"47465-97-4"}
{"Compound":"1-isopropyl-2-methylbenzene","CAS":"527-84-4","CAS.Checksum":true,"DTXSID":"DTXSID1052165","Formula":"C10H14","All.Compound.Names":"1-isopropyl-2-methylbenzene|Dtxsid1052165","logHenry":-2.102,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.379,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.07014,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.709,"logWSol.Reference":"EPA-CCD-OPERA","MP":-67.98,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"527-84-4"}
{"Compound":"2,4-dibromophenol","CAS":"615-58-7","CAS.Checksum":true,"DTXSID":"DTXSID1052290","Formula":"C6H4Br2O","All.Compound.Names":"2,4-dibromophenol|Dtxsid1052290|615-58-7","logHenry":-6.636,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.222,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.493,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.759,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.2,"MP.Reference":"EPA-CCD-OPERA","MW":251.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"615-58-7"}
{"Compound":"C.i. pigment red 22","CAS":"6448-95-9","CAS.Checksum":true,"DTXSID":"DTXSID1052329","Formula":"C24H18N4O4","All.Compound.Names":"C.i. pigment red 22|Dtxsid1052329|6448-95-9","logHenry":-9.079,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.191,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.426,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.712,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.2,"MP.Reference":"EPA-CCD-OPERA","MW":426.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6448-95-9"}
{"Compound":"Methyl n-methylanthranilate","CAS":"85-91-6","CAS.Checksum":true,"DTXSID":"DTXSID1052581","Formula":"C9H11NO2","All.Compound.Names":"Methyl n-methylanthranilate|Dtxsid1052581|85-91-6","logHenry":-8.033,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.221,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.526,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.652,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.21,"MP.Reference":"EPA-CCD-OPERA","MW":165.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"85-91-6"}
{"Compound":"1-phenyltetrazole-5-thiol","CAS":"86-93-1","CAS.Checksum":true,"DTXSID":"DTXSID1052589","Formula":"C7H6N4S","All.Compound.Names":"1-phenyltetrazole-5-thiol|Dtxsid1052589|86-93-1","logHenry":-8.684,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.45,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.374,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.124,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.2,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.89","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86-93-1"}
{"Compound":"P-toluenesulfonyl chloride","CAS":"98-59-9","CAS.Checksum":true,"DTXSID":"DTXSID1052660","Formula":"C7H7ClO2S","All.Compound.Names":"P-toluenesulfonyl chloride|Dtxsid1052660","logHenry":-7.091,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.309,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.565,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.303,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.81,"MP.Reference":"EPA-CCD-OPERA","MW":190.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98-59-9"}
{"Compound":"1-(4-chlorophenyl)ethanone","CAS":"99-91-2","CAS.Checksum":true,"DTXSID":"DTXSID1052668","Formula":"C8H7ClO","All.Compound.Names":"1-(4-chlorophenyl)ethanone|Dtxsid1052668","logHenry":-5.735,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.322,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.746,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.28,"MP.Reference":"EPA-CCD-OPERA","MW":154.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-91-2"}
{"Compound":"Propineb","CAS":"12071-83-9","CAS.Checksum":true,"DTXSID":"DTXSID1052741","Formula":"C5H8N2S4Zn","All.Compound.Names":"Propineb|Dtxsid1052741|12071-83-9","logHenry":-9.841,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.086,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.04,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.745,"logWSol.Reference":"EPA-CCD-OPERA","MP":212.9,"MP.Reference":"EPA-CCD-OPERA","MW":289.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.07","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.94","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"12071-83-9"}
{"Compound":"3,6,9,12,15-pentaoxaheptacosan-1-ol","CAS":"3055-95-6","CAS.Checksum":true,"DTXSID":"DTXSID1058632","Formula":"C22H46O6","All.Compound.Names":"3,6,9,12,15-pentaoxaheptacosan-1-ol|Dtxsid1058632|3055-95-6","logHenry":-7.492,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.831,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.553,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.954,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.291,"MP.Reference":"EPA-CCD-OPERA","MW":406.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.25","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3055-95-6"}
{"Compound":"2,6,10-trimethyldodecane","CAS":"3891-98-3","CAS.Checksum":true,"DTXSID":"DTXSID1058634","Formula":"C15H32","All.Compound.Names":"2,6,10-trimethyldodecane|Dtxsid1058634","logHenry":-1.729,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.51,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.159,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.441,"logWSol.Reference":"EPA-CCD-OPERA","MP":-115.2,"MP.Reference":"EPA-CCD-OPERA","MW":212.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3891-98-3"}
{"Compound":"Heptylcyclohexane","CAS":"5617-41-4","CAS.Checksum":true,"DTXSID":"DTXSID1058636","Formula":"C13H26","All.Compound.Names":"Heptylcyclohexane|Dtxsid1058636","logHenry":-1.878,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.948,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1436,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.421,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.5,"MP.Reference":"EPA-CCD-OPERA","MW":182.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5617-41-4"}
{"Compound":"Ammonium diethyl dithiophosphate","CAS":"1068-22-0","CAS.Checksum":true,"DTXSID":"DTXSID1058688","Formula":"C4H14NO2PS2","All.Compound.Names":"Ammonium diethyl dithiophosphate|Dtxsid1058688|1068-22-0","logHenry":-7.021,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.242,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.486,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.39,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.6,"MP.Reference":"EPA-CCD-OPERA","MW":203.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1068-22-0"}
{"Compound":"1,2-dimethylnaphthalene","CAS":"573-98-8","CAS.Checksum":true,"DTXSID":"DTXSID1058717","Formula":"C12H12","All.Compound.Names":"1,2-dimethylnaphthalene|Dtxsid1058717","logHenry":-3.258,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.312,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.651,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.755,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.74,"MP.Reference":"EPA-CCD-OPERA","MW":156.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"573-98-8"}
{"Compound":"Diethyl(2-ethylaminoethyl)amine","CAS":"105-04-4","CAS.Checksum":true,"DTXSID":"DTXSID1059311","Formula":"C8H20N2","All.Compound.Names":"Diethyl(2-ethylaminoethyl)amine|Dtxsid1059311|105-04-4","logHenry":-4.525,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.272,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.718,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5505,"logWSol.Reference":"EPA-CCD-OPERA","MP":-50.74,"MP.Reference":"EPA-CCD-OPERA","MW":144.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-04-4"}
{"Compound":"Cyclopentadecane","CAS":"295-48-7","CAS.Checksum":true,"DTXSID":"DTXSID1059781","Formula":"C15H30","All.Compound.Names":"Cyclopentadecane|Dtxsid1059781","logHenry":-1.948,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.288,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1508,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.312,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.9,"MP.Reference":"EPA-CCD-OPERA","MW":210.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"295-48-7"}
{"Compound":"4-heptanol","CAS":"589-55-9","CAS.Checksum":true,"DTXSID":"DTXSID1060429","Formula":"C7H16O","All.Compound.Names":"4-heptanol|Dtxsid1060429|589-55-9","logHenry":-4.652,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.222,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.675,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.397,"logWSol.Reference":"EPA-CCD-OPERA","MP":-41.68,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"589-55-9"}
{"Compound":"Benzoic acid, 2-hydroxy-, 1-methylethyl ester","CAS":"607-85-2","CAS.Checksum":true,"DTXSID":"DTXSID1060556","Formula":"C10H12O3","All.Compound.Names":"Benzoic acid, 2-hydroxy-, 1-methylethyl ester|Dtxsid1060556|607-85-2","logHenry":-7.692,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.484,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.113,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.34,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"607-85-2"}
{"Compound":"Benzene, 1-isocyanato-2-methoxy-","CAS":"700-87-8","CAS.Checksum":true,"DTXSID":"DTXSID1061025","Formula":"C8H7NO2","All.Compound.Names":"Benzene, 1-isocyanato-2-methoxy-|Dtxsid1061025|700-87-8","logHenry":-5.589,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.034,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.895,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.194,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.78,"MP.Reference":"EPA-CCD-OPERA","MW":149.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.96","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"700-87-8"}
{"Compound":"5-ethyl-m-xylene","CAS":"934-74-7","CAS.Checksum":true,"DTXSID":"DTXSID1061316","Formula":"C10H14","All.Compound.Names":"5-ethyl-m-xylene|Dtxsid1061316","logHenry":-2.098,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.548,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.02318,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.448,"logWSol.Reference":"EPA-CCD-OPERA","MP":-63.46,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"934-74-7"}
{"Compound":"1,1'-(1,1,2,2-tetramethylethylene)dibenzene","CAS":"1889-67-4","CAS.Checksum":true,"DTXSID":"DTXSID1062043","Formula":"C18H22","All.Compound.Names":"1,1'-(1,1,2,2-tetramethylethylene)dibenzene|Dtxsid1062043","logHenry":-3.388,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.714,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.161,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.005,"MP.Reference":"EPA-CCD-OPERA","MW":238.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1889-67-4"}
{"Compound":"4:2 fluorotelomer alcohol","CAS":"2043-47-2","CAS.Checksum":true,"DTXSID":"DTXSID1062122","Formula":"C6H5F9O","All.Compound.Names":"4:2 fluorotelomer alcohol|Dtxsid1062122|Fluorotelomer alcohol 4:2|2043-47-2","logHenry":-8.578,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.268,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5498,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.721,"logWSol.Reference":"EPA-CCD-OPERA","MP":-43.95,"MP.Reference":"EPA-CCD-OPERA","MW":264.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.75","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"2043-47-2"}
{"Compound":"N~1~,n~1~,n~6~,n~6~-tetra(propan-2-yl)hexane-1,6-diamine","CAS":"104017-39-2","CAS.Checksum":true,"DTXSID":"DTXSID10623421","Formula":"C18H40N2","All.Compound.Names":"N~1~,n~1~,n~6~,n~6~-tetra(propan-2-yl)hexane-1,6-diamine|Dtxsid10623421|104017-39-2","logHenry":-6.209,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.663,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.751,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.507,"logWSol.Reference":"EPA-CCD-OPERA","MP":-68.59,"MP.Reference":"EPA-CCD-OPERA","MW":284.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.44","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"104017-39-2"}
{"Compound":"Cyclohexane, pentadecyl-","CAS":"6006-95-7","CAS.Checksum":true,"DTXSID":"DTXSID1064081","Formula":"C21H42","All.Compound.Names":"Cyclohexane, pentadecyl-|Dtxsid1064081","logHenry":-5.385,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.414,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1538,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.03,"logWSol.Reference":"EPA-CCD-OPERA","MP":-66.86,"MP.Reference":"EPA-CCD-OPERA","MW":294.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6006-95-7"}
{"Compound":"4,7-dimethylindan","CAS":"6682-71-9","CAS.Checksum":true,"DTXSID":"DTXSID1064451","Formula":"C11H14","All.Compound.Names":"4,7-dimethylindan|Dtxsid1064451","logHenry":-1.722,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.42,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6427,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.398,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.78,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6682-71-9"}
{"Compound":"N-methylperfluorooctanesulfonamide","CAS":"31506-32-8","CAS.Checksum":true,"DTXSID":"DTXSID1067629","Formula":"C9H4F17NO2S","All.Compound.Names":"N-methylperfluorooctanesulfonamide|Dtxsid1067629|31506-32-8","logHenry":-8.901,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.266,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.7085,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.097,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.8,"MP.Reference":"EPA-CCD-OPERA","MW":513.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"31506-32-8"}
{"Compound":"2-methylfluorene","CAS":"1430-97-3","CAS.Checksum":true,"DTXSID":"DTXSID1073943","Formula":"C14H12","All.Compound.Names":"2-methylfluorene|Dtxsid1073943","logHenry":-3.995,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.522,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.909,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.564,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.92,"MP.Reference":"EPA-CCD-OPERA","MW":180.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1430-97-3"}
{"Compound":"Cyclohexane, 1,1'-(1,3-propanediyl)bis-","CAS":"3178-24-3","CAS.Checksum":true,"DTXSID":"DTXSID1074705","Formula":"C15H28","All.Compound.Names":"Cyclohexane, 1,1'-(1,3-propanediyl)bis-|Dtxsid1074705","logHenry":-2.325,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.128,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3095,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.83,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.04,"MP.Reference":"EPA-CCD-OPERA","MW":208.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3178-24-3"}
{"Compound":"Phenanthrene, 1,7-dimethyl-","CAS":"483-87-4","CAS.Checksum":true,"DTXSID":"DTXSID1074755","Formula":"C16H14","All.Compound.Names":"Phenanthrene, 1,7-dimethyl-|Dtxsid1074755","logHenry":-4.489,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.322,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.549,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.494,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.9,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"483-87-4"}
{"Compound":"Triethoxy((perfluorohexyl)ethyl)silane","CAS":"51851-37-7","CAS.Checksum":true,"DTXSID":"DTXSID1074915","Formula":"C14H19F13O3Si","All.Compound.Names":"Triethoxy((perfluorohexyl)ethyl)silane|Dtxsid1074915","logHenry":-5.25,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.543,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1442,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.341,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.4564,"MP.Reference":"EPA-CCD-OPERA","MW":510.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"51851-37-7"}
{"Compound":"Cyclohexane, eicosyl-","CAS":"4443-55-4","CAS.Checksum":true,"DTXSID":"DTXSID1075064","Formula":"C26H52","All.Compound.Names":"Cyclohexane, eicosyl-|Dtxsid1075064","logHenry":-6.11,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.022,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.731,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.052,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.5,"MP.Reference":"EPA-CCD-OPERA","MW":364.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4443-55-4"}
{"Compound":"3,3'-oxybis-2-butanol","CAS":"54305-61-2","CAS.Checksum":true,"DTXSID":"DTXSID10858791","Formula":"C8H18O3","All.Compound.Names":"3,3'-oxybis-2-butanol|Dtxsid10858791|54305-61-2","logHenry":-8.525,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4945,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.103,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.06246,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.2,"MP.Reference":"EPA-CCD-OPERA","MW":162.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54305-61-2"}
{"Compound":"N,n-dimethyl-1,2-diphenylethan-1-amine","CAS":"6319-84-2","CAS.Checksum":true,"DTXSID":"DTXSID10859960","Formula":"C16H19N","All.Compound.Names":"N,n-dimethyl-1,2-diphenylethan-1-amine|Dtxsid10859960|6319-84-2","logHenry":-4.521,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.797,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.584,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.083,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.12,"MP.Reference":"EPA-CCD-OPERA","MW":225.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6319-84-2"}
{"Compound":"3-octanol","CAS":"589-98-0","CAS.Checksum":true,"DTXSID":"DTXSID10862252","Formula":"C8H18O","All.Compound.Names":"3-octanol|Dtxsid10862252|589-98-0","logHenry":-4.406,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.71,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.063,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.977,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.44,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"589-98-0"}
{"Compound":"Furan, tetrahydro-?2,?5-?dimethyl-","CAS":"1003-38-9","CAS.Checksum":true,"DTXSID":"DTXSID10862510","Formula":"C6H12O","All.Compound.Names":"Furan, tetrahydro-?2,?5-?dimethyl-|Dtxsid10862510","logHenry":-3.372,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.223,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.103,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.06681,"logWSol.Reference":"EPA-CCD-OPERA","MP":-26.95,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1003-38-9"}
{"Compound":"3,3'-oxybis-1-propanol","CAS":"2396-61-4","CAS.Checksum":true,"DTXSID":"DTXSID10862919","Formula":"C6H14O3","All.Compound.Names":"3,3'-oxybis-1-propanol|Dtxsid10862919|2396-61-4","logHenry":-7.253,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3734,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.971,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.7948,"logWSol.Reference":"EPA-CCD-OPERA","MP":-20.61,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.78","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2396-61-4"}
{"Compound":"Hexadecanoic acid, 2-hydroxyethyl ester","CAS":"4219-49-2","CAS.Checksum":true,"DTXSID":"DTXSID10863345","Formula":"C18H36O3","All.Compound.Names":"Hexadecanoic acid, 2-hydroxyethyl ester|Dtxsid10863345|4219-49-2","logHenry":-7.52,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.585,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.181,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.16,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.47,"MP.Reference":"EPA-CCD-OPERA","MW":300.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4219-49-2"}
{"Compound":"N-(2-hydroxyethyl)-decanamide","CAS":"7726-08-1","CAS.Checksum":true,"DTXSID":"DTXSID10867747","Formula":"C12H25NO2","All.Compound.Names":"N-(2-hydroxyethyl)-decanamide|Dtxsid10867747","logHenry":-8.832,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.435,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.755,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.709,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.6,"MP.Reference":"EPA-CCD-OPERA","MW":215.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7726-08-1"}
{"Compound":"2,2'-isopropylidenebis(tetrahydrofuran)","CAS":"89686-69-1","CAS.Checksum":true,"DTXSID":"DTXSID10869029","Formula":"C11H20O2","All.Compound.Names":"2,2'-isopropylidenebis(tetrahydrofuran)|Dtxsid10869029","logHenry":-3.163,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.384,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.468,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.715,"logWSol.Reference":"EPA-CCD-OPERA","MP":-36.33,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89686-69-1"}
{"Compound":"1-ethylnaphthalene","CAS":"1127-76-0","CAS.Checksum":true,"DTXSID":"DTXSID10870852","Formula":"C12H12","All.Compound.Names":"1-ethylnaphthalene|Dtxsid10870852","logHenry":-3.166,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.392,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.68,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.184,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.35,"MP.Reference":"EPA-CCD-OPERA","MW":156.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1127-76-0"}
{"Compound":"1-propanone, 2-bromo-1-phenyl-","CAS":"2114-00-3","CAS.Checksum":true,"DTXSID":"DTXSID10870938","Formula":"C9H9BrO","All.Compound.Names":"1-propanone, 2-bromo-1-phenyl-|Dtxsid10870938","logHenry":-5.668,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.657,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.067,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.017,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.03,"MP.Reference":"EPA-CCD-OPERA","MW":213.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2114-00-3"}
{"Compound":"(4e)-4-decene","CAS":"19398-89-1","CAS.Checksum":true,"DTXSID":"DTXSID10871304","Formula":"C10H20","All.Compound.Names":"(4e)-4-decene|Dtxsid10871304","logHenry":-1.165,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.379,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.064,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.646,"logWSol.Reference":"EPA-CCD-OPERA","MP":-73.24,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19398-89-1"}
{"Compound":"9-ethyl-9h-fluorene","CAS":"2294-82-8","CAS.Checksum":true,"DTXSID":"DTXSID10872977","Formula":"C15H14","All.Compound.Names":"9-ethyl-9h-fluorene|Dtxsid10872977","logHenry":-3.905,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.832,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.536,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.705,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.62,"MP.Reference":"EPA-CCD-OPERA","MW":194.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2294-82-8"}
{"Compound":"5-butyl-6-hexyloctahydro-1h-indene","CAS":"55044-36-5","CAS.Checksum":true,"DTXSID":"DTXSID10873328","Formula":"C19H36","All.Compound.Names":"5-butyl-6-hexyloctahydro-1h-indene|Dtxsid10873328","logHenry":-2.893,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.087,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3005,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.228,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.15,"MP.Reference":"EPA-CCD-OPERA","MW":264.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55044-36-5"}
{"Compound":"(1-propylnonyl)benzene","CAS":"2719-64-4","CAS.Checksum":true,"DTXSID":"DTXSID10875105","Formula":"C18H30","All.Compound.Names":"(1-propylnonyl)benzene|Dtxsid10875105","logHenry":-3.993,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.069,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.07217,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.981,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.003,"MP.Reference":"EPA-CCD-OPERA","MW":246.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2719-64-4"}
{"Compound":"Benzene, (1-ethylundecyl)-","CAS":"4534-52-5","CAS.Checksum":true,"DTXSID":"DTXSID10875201","Formula":"C19H32","All.Compound.Names":"Benzene, (1-ethylundecyl)-|Dtxsid10875201","logHenry":-5.142,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.649,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3047,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.246,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.56,"MP.Reference":"EPA-CCD-OPERA","MW":260.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4534-52-5"}
{"Compound":"Benzene, 1,1'-(1-butene-1,4-diyl)bis-, (z)-","CAS":"70388-65-7","CAS.Checksum":true,"DTXSID":"DTXSID10880633","Formula":"C16H16","All.Compound.Names":"Benzene, 1,1'-(1-butene-1,4-diyl)bis-, (z)-|Dtxsid10880633","logHenry":-4.532,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.524,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.859,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.901,"logWSol.Reference":"EPA-CCD-OPERA","MP":33.53,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70388-65-7"}
{"Compound":"2-cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-","CAS":"7212-40-0","CAS.Checksum":true,"DTXSID":"DTXSID10880638","Formula":"C10H16O","All.Compound.Names":"2-cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-|Dtxsid10880638|7212-40-0","logHenry":-5.549,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.826,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.986,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.149,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.52,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7212-40-0"}
{"Compound":"4-methyl-1,5-heptadiene","CAS":"998-94-7","CAS.Checksum":true,"DTXSID":"DTXSID10880653","Formula":"C8H14","All.Compound.Names":"4-methyl-1,5-heptadiene|Dtxsid10880653","logHenry":-1.075,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.908,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2543,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.142,"logWSol.Reference":"EPA-CCD-OPERA","MP":-81.89,"MP.Reference":"EPA-CCD-OPERA","MW":110.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"998-94-7"}
{"Compound":"1,6-heptadiene, 2-methyl-6-phenyl-","CAS":"51708-97-5","CAS.Checksum":true,"DTXSID":"DTXSID10880658","Formula":"C14H18","All.Compound.Names":"1,6-heptadiene, 2-methyl-6-phenyl-|Dtxsid10880658","logHenry":-2.982,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.27,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.294,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.842,"logWSol.Reference":"EPA-CCD-OPERA","MP":-67.81,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51708-97-5"}
{"Compound":"Naphthalene, 1,2,3,4-tetrahydro-2-phenyl-","CAS":"29422-13-7","CAS.Checksum":true,"DTXSID":"DTXSID10880673","Formula":"C16H16","All.Compound.Names":"Naphthalene, 1,2,3,4-tetrahydro-2-phenyl-|Dtxsid10880673","logHenry":-4,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.632,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.162,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.236,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.92,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29422-13-7"}
{"Compound":"Tetradecahydrophenanthrene","CAS":"5743-97-5","CAS.Checksum":true,"DTXSID":"DTXSID10880678","Formula":"C14H24","All.Compound.Names":"Tetradecahydrophenanthrene|Dtxsid10880678","logHenry":-2.242,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.987,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9167,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.447,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.22,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5743-97-5"}
{"Compound":"Hexadecanoic acid, 1,1-dimethylethyl ester","CAS":"31158-91-5","CAS.Checksum":true,"DTXSID":"DTXSID10880693","Formula":"C20H40O2","All.Compound.Names":"Hexadecanoic acid, 1,1-dimethylethyl ester|Dtxsid10880693","logHenry":-6.581,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.448,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.325,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.212,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.42,"MP.Reference":"EPA-CCD-OPERA","MW":312.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31158-91-5"}
{"Compound":"7-octene-2,6-diol, 2,6-dimethyl-","CAS":"29210-77-3","CAS.Checksum":true,"DTXSID":"DTXSID10880698","Formula":"C10H20O2","All.Compound.Names":"7-octene-2,6-diol, 2,6-dimethyl-|Dtxsid10880698|29210-77-3","logHenry":-8.525,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.864,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.912,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.411,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.52,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29210-77-3"}
{"Compound":"Methyl dehydroabietate","CAS":"1235-74-1","CAS.Checksum":true,"DTXSID":"DTXSID10880714","Formula":"C21H30O2","All.Compound.Names":"Methyl dehydroabietate|Dtxsid10880714","logHenry":-7.651,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.881,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.382,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.731,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.08,"MP.Reference":"EPA-CCD-OPERA","MW":314.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1235-74-1"}
{"Compound":"Naphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-(1-methylethyl)-","CAS":"16728-99-7","CAS.Checksum":true,"DTXSID":"DTXSID10880719","Formula":"C15H24","All.Compound.Names":"Naphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-(1-methylethyl)-|Dtxsid10880719","logHenry":-1.5,"logHenry.Reference":"OPERA29","logP":5.67,"logP.Reference":"OPERA29","logPwa":1.602,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.03,"logWSol.Reference":"OPERA29","MP":20,"MP.Reference":"OPERA29","MW":204.2,"MW.Reference":"OPERA29","All.Species":"None","DTXSID.Reference":"OPERA29","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16728-99-7"}
{"Compound":"(4r,s)-4-(2-butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one","CAS":"70869-60-2","CAS.Checksum":true,"DTXSID":"DTXSID10880734","Formula":"C13H20O","All.Compound.Names":"(4r,s)-4-(2-butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one|Dtxsid10880734","logHenry":-3.618,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.874,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.688,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.497,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.27,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70869-60-2"}
{"Compound":"Octane, 3-methyl-6-methylene-","CAS":"74630-07-2","CAS.Checksum":true,"DTXSID":"DTXSID10880739","Formula":"C10H20","All.Compound.Names":"Octane, 3-methyl-6-methylene-|Dtxsid10880739","logHenry":-1.196,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.108,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5462,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.403,"logWSol.Reference":"EPA-CCD-OPERA","MP":-122.9,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74630-07-2"}
{"Compound":"Heptadecane, 3-methyl-","CAS":"6418-44-6","CAS.Checksum":true,"DTXSID":"DTXSID10880754","Formula":"C18H38","All.Compound.Names":"Heptadecane, 3-methyl-|Dtxsid10880754","logHenry":-4.453,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.231,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.816,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.053,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.652,"MP.Reference":"EPA-CCD-OPERA","MW":254.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6418-44-6"}
{"Compound":"3-decyn-2-ol","CAS":"69668-93-5","CAS.Checksum":true,"DTXSID":"DTXSID10880759","Formula":"C10H18O","All.Compound.Names":"3-decyn-2-ol|Dtxsid10880759|69668-93-5","logHenry":-4.668,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.014,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.05,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.498,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.15,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69668-93-5"}
{"Compound":"Cyclopentane, 1,1,3-trimethyl-3-(2-methyl-2-propenyl)-","CAS":"74421-09-3","CAS.Checksum":true,"DTXSID":"DTXSID10880774","Formula":"C12H22","All.Compound.Names":"Cyclopentane, 1,1,3-trimethyl-3-(2-methyl-2-propenyl)-|Dtxsid10880774","logHenry":-1.434,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.381,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3941,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.669,"logWSol.Reference":"EPA-CCD-OPERA","MP":-104,"MP.Reference":"EPA-CCD-OPERA","MW":166.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74421-09-3"}
{"Compound":"Oxirane, 2-methyl-2-phenyl-","CAS":"2085-88-3","CAS.Checksum":true,"DTXSID":"DTXSID10880779","Formula":"C9H10O","All.Compound.Names":"Oxirane, 2-methyl-2-phenyl-|Dtxsid10880779","logHenry":-5.009,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.484,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.834,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.544,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.24,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2085-88-3"}
{"Compound":"Naphthalene, 1,2,3,4-tetrahydro-1,8-dimethyl-","CAS":"25419-33-4","CAS.Checksum":true,"DTXSID":"DTXSID10880794","Formula":"C12H16","All.Compound.Names":"Naphthalene, 1,2,3,4-tetrahydro-1,8-dimethyl-|Dtxsid10880794","logHenry":-2.044,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.469,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.215,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.791,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.83,"MP.Reference":"EPA-CCD-OPERA","MW":160.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25419-33-4"}
{"Compound":"1,1,6,6-tetramethylspiro[4.4]nonane","CAS":"74054-92-5","CAS.Checksum":true,"DTXSID":"DTXSID10880799","Formula":"C13H24","All.Compound.Names":"1,1,6,6-tetramethylspiro[4.4]nonane|Dtxsid10880799","logHenry":-1.393,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.56,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.232,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.814,"logWSol.Reference":"EPA-CCD-OPERA","MP":-101.8,"MP.Reference":"EPA-CCD-OPERA","MW":180.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74054-92-5"}
{"Compound":"Naphtho[2,1-b]furan, 1,2-dimethyl-","CAS":"129812-23-3","CAS.Checksum":true,"DTXSID":"DTXSID10880810","Formula":"C14H12O","All.Compound.Names":"Naphtho[2,1-b]furan, 1,2-dimethyl-|Dtxsid10880810|129812-23-3","logHenry":-3.908,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.006,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.44,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.222,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.17,"MP.Reference":"EPA-CCD-OPERA","MW":196.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"129812-23-3"}
{"Compound":"Octane, 6-ethyl-2-methyl-","CAS":"62016-19-7","CAS.Checksum":true,"DTXSID":"DTXSID10880815","Formula":"C11H24","All.Compound.Names":"Octane, 6-ethyl-2-methyl-|Dtxsid10880815","logHenry":-0.8172,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.672,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.234,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.494,"logWSol.Reference":"EPA-CCD-OPERA","MP":-82.35,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62016-19-7"}
{"Compound":"2-heptenal, (z)-","CAS":"57266-86-1","CAS.Checksum":true,"DTXSID":"DTXSID10880830","Formula":"C7H12O","All.Compound.Names":"2-heptenal, (z)-|Dtxsid10880830","logHenry":-4.072,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.083,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.876,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.65,"logWSol.Reference":"EPA-CCD-OPERA","MP":-47.7,"MP.Reference":"EPA-CCD-OPERA","MW":112.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57266-86-1"}
{"Compound":"Cyclohexane, 1-ethyl-2-propyl-","CAS":"62238-33-9","CAS.Checksum":true,"DTXSID":"DTXSID10880835","Formula":"C11H22","All.Compound.Names":"Cyclohexane, 1-ethyl-2-propyl-|Dtxsid10880835","logHenry":-1.181,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.606,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6192,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.238,"logWSol.Reference":"EPA-CCD-OPERA","MP":-84.84,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62238-33-9"}
{"Compound":"8-heptadecanol","CAS":"2541-75-5","CAS.Checksum":true,"DTXSID":"DTXSID10880850","Formula":"C17H36O","All.Compound.Names":"8-heptadecanol|Dtxsid10880850|2541-75-5","logHenry":-4.849,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.557,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.371,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.333,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.52,"MP.Reference":"EPA-CCD-OPERA","MW":256.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2541-75-5"}
{"Compound":"(9e)-9-octadecene","CAS":"7206-25-9","CAS.Checksum":true,"DTXSID":"DTXSID10880855","Formula":"C18H36","All.Compound.Names":"(9e)-9-octadecene|Dtxsid10880855","logHenry":-4.475,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.812,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8099,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.197,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.64,"MP.Reference":"EPA-CCD-OPERA","MW":252.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7206-25-9"}
{"Compound":"3-heptadecen-5-yne, (z)-","CAS":"74744-55-1","CAS.Checksum":true,"DTXSID":"DTXSID10880870","Formula":"C17H30","All.Compound.Names":"3-heptadecen-5-yne, (z)-|Dtxsid10880870","logHenry":-3.588,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.53,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.09399,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.423,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.2,"MP.Reference":"EPA-CCD-OPERA","MW":234.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74744-55-1"}
{"Compound":"Tetradecane, 1-fluoro-","CAS":"593-33-9","CAS.Checksum":true,"DTXSID":"DTXSID10880875","Formula":"C14H29F","All.Compound.Names":"Tetradecane, 1-fluoro-|Dtxsid10880875","logHenry":-3.45,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.84,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1044,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.742,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.16,"MP.Reference":"EPA-CCD-OPERA","MW":216.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"593-33-9"}
{"Compound":"4-(prop-2-enoyloxy)octane","CAS":"42928-87-0","CAS.Checksum":true,"DTXSID":"DTXSID10880890","Formula":"C11H20O2","All.Compound.Names":"4-(prop-2-enoyloxy)octane|Dtxsid10880890","logHenry":-3.556,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.182,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.059,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.578,"logWSol.Reference":"EPA-CCD-OPERA","MP":-69.5,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42928-87-0"}
{"Compound":"Octadecanoic acid, 9,10-dihydroxy-, methyl ester","CAS":"1115-01-1","CAS.Checksum":true,"DTXSID":"DTXSID10880895","Formula":"C19H38O4","All.Compound.Names":"Octadecanoic acid, 9,10-dihydroxy-, methyl ester|Dtxsid10880895|1115-01-1","logHenry":-8.233,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.919,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.342,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.058,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.89,"MP.Reference":"EPA-CCD-OPERA","MW":330.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.62","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1115-01-1"}
{"Compound":"Pregnan-3-one, (5.alpha.)-","CAS":"14778-11-1","CAS.Checksum":true,"DTXSID":"DTXSID10880911","Formula":"C21H34O","All.Compound.Names":"Pregnan-3-one, (5.alpha.)-|Dtxsid10880911","logHenry":-6.546,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.889,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.034,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.04,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.94,"MP.Reference":"EPA-CCD-OPERA","MW":302.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14778-11-1"}
{"Compound":"Thiophene, 2-(4-methylbenzylsulfonyl)-","CAS":"153837-88-8","CAS.Checksum":true,"DTXSID":"DTXSID10880916","Formula":"C12H12O2S2","All.Compound.Names":"Thiophene, 2-(4-methylbenzylsulfonyl)-|Dtxsid10880916","logHenry":-4.585,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.372,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.971,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.296,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.4,"MP.Reference":"EPA-CCD-OPERA","MW":252.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"153837-88-8"}
{"Compound":"6-tridecene, (z)-","CAS":"6508-77-6","CAS.Checksum":true,"DTXSID":"DTXSID10880931","Formula":"C13H26","All.Compound.Names":"6-tridecene, (z)-|Dtxsid10880931","logHenry":-1.886,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.874,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.0903,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.524,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.58,"MP.Reference":"EPA-CCD-OPERA","MW":182.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6508-77-6"}
{"Compound":"3-ethyl-3-phenyl-1-pentene","CAS":"19781-34-1","CAS.Checksum":true,"DTXSID":"DTXSID10880936","Formula":"C13H18","All.Compound.Names":"3-ethyl-3-phenyl-1-pentene|Dtxsid10880936","logHenry":-1.978,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.865,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.919,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.774,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.74,"MP.Reference":"EPA-CCD-OPERA","MW":174.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19781-34-1"}
{"Compound":"1-phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1s-(1alpha,4aalpha,10abeta)]-","CAS":"24035-50-5","CAS.Checksum":true,"DTXSID":"DTXSID10881206","Formula":"C20H28O","All.Compound.Names":"1-phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1s-(1alpha,4aalpha,10abeta)]-|Dtxsid10881206","logHenry":-4.769,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.317,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.454,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.018,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.42,"MP.Reference":"EPA-CCD-OPERA","MW":284.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24035-50-5"}
{"Compound":"Cyclohexanol, 3,3,5-trimethyl-, acetate, cis-","CAS":"24691-16-5","CAS.Checksum":true,"DTXSID":"DTXSID10881241","Formula":"C11H20O2","All.Compound.Names":"Cyclohexanol, 3,3,5-trimethyl-, acetate, cis-|Dtxsid10881241","logHenry":-3.274,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.047,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.009,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.645,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.169,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24691-16-5"}
{"Compound":"Isocaryophyllene","CAS":"118-65-0","CAS.Checksum":true,"DTXSID":"DTXSID10881246","Formula":"C15H24","All.Compound.Names":"Isocaryophyllene|Dtxsid10881246","logHenry":-2.008,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.227,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.677,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.912,"logWSol.Reference":"EPA-CCD-OPERA","MP":-72.03,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-65-0"}
{"Compound":"Cyclooctane, methyl-","CAS":"1502-38-1","CAS.Checksum":true,"DTXSID":"DTXSID20164491","Formula":"C9H18","All.Compound.Names":"Cyclooctane, methyl-|Dtxsid20164491","logHenry":-1.121,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.822,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2626,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.084,"logWSol.Reference":"EPA-CCD-OPERA","MP":-153.8,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1502-38-1"}
{"Compound":"2,9-dimethyl-5-decyne","CAS":"19550-56-2","CAS.Checksum":true,"DTXSID":"DTXSID20173225","Formula":"C12H22","All.Compound.Names":"2,9-dimethyl-5-decyne|Dtxsid20173225","logHenry":-1.179,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.274,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.9678,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.896,"logWSol.Reference":"EPA-CCD-OPERA","MP":-88.34,"MP.Reference":"EPA-CCD-OPERA","MW":166.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19550-56-2"}
{"Compound":"1,12-tridecadiene","CAS":"21964-48-7","CAS.Checksum":true,"DTXSID":"DTXSID20176372","Formula":"C13H24","All.Compound.Names":"1,12-tridecadiene|Dtxsid20176372","logHenry":-1.953,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.351,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6239,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.032,"logWSol.Reference":"EPA-CCD-OPERA","MP":-93.22,"MP.Reference":"EPA-CCD-OPERA","MW":180.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21964-48-7"}
{"Compound":"Benzo(b)naphtho(2,3-d)thiophene, 6-methyl-","CAS":"24360-63-2","CAS.Checksum":true,"DTXSID":"DTXSID20179106","Formula":"C17H12S","All.Compound.Names":"Benzo(b)naphtho(2,3-d)thiophene, 6-methyl-|Dtxsid20179106","logHenry":-4.858,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.271,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.916,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.577,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.9,"MP.Reference":"EPA-CCD-OPERA","MW":248.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24360-63-2"}
{"Compound":"2-(perfluorohexyl)ethylphosphonic acid","CAS":"252237-40-4","CAS.Checksum":true,"DTXSID":"DTXSID20179883","Formula":"C8H6F13O3P","All.Compound.Names":"2-(perfluorohexyl)ethylphosphonic acid|Dtxsid20179883|252237-40-4","logHenry":-10.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.275,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.566,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.782,"logWSol.Reference":"EPA-CCD-OPERA","MP":129,"MP.Reference":"EPA-CCD-OPERA","MW":428.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"252237-40-4"}
{"Compound":"1h-phenalene, dodecahydro-","CAS":"2935-07-1","CAS.Checksum":true,"DTXSID":"DTXSID20183581","Formula":"C13H22","All.Compound.Names":"1h-phenalene, dodecahydro-|Dtxsid20183581","logHenry":-1.789,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.836,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.269,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.197,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.91,"MP.Reference":"EPA-CCD-OPERA","MW":178.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2935-07-1"}
{"Compound":"Phenanthrene, 4,5-dimethyl- (8ci)(9ci)","CAS":"3674-69-9","CAS.Checksum":true,"DTXSID":"DTXSID20190199","Formula":"C16H14","All.Compound.Names":"Phenanthrene, 4,5-dimethyl- (8ci)(9ci)|Dtxsid20190199","logHenry":-4.478,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.423,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.448,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.5,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.9,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3674-69-9"}
{"Compound":"2,3-dimethylfluorene","CAS":"4612-63-9","CAS.Checksum":true,"DTXSID":"DTXSID20196732","Formula":"C15H14","All.Compound.Names":"2,3-dimethylfluorene|Dtxsid20196732","logHenry":-3.899,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.016,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.364,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.652,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.56,"MP.Reference":"EPA-CCD-OPERA","MW":194.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4612-63-9"}
{"Compound":"Methyl 12-methyltridecanoate","CAS":"5129-58-8","CAS.Checksum":true,"DTXSID":"DTXSID20199288","Formula":"C15H30O2","All.Compound.Names":"Methyl 12-methyltridecanoate|Dtxsid20199288","logHenry":-5.235,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.285,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.157,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.512,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.928,"MP.Reference":"EPA-CCD-OPERA","MW":242.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5129-58-8"}
{"Compound":"Octane, 2,2,4,4,5,5,7,7-octamethyl-","CAS":"5171-85-7","CAS.Checksum":true,"DTXSID":"DTXSID20199662","Formula":"C16H34","All.Compound.Names":"Octane, 2,2,4,4,5,5,7,7-octamethyl-|Dtxsid20199662","logHenry":-0.8337,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.256,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.519,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.316,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.64,"MP.Reference":"EPA-CCD-OPERA","MW":226.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5171-85-7"}
{"Compound":"2-nitroadamantane","CAS":"54564-31-7","CAS.Checksum":true,"DTXSID":"DTXSID20202988","Formula":"C10H15NO2","All.Compound.Names":"2-nitroadamantane|Dtxsid20202988","logHenry":-5.105,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.073,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.608,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.808,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.5,"MP.Reference":"EPA-CCD-OPERA","MW":181.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54564-31-7"}
{"Compound":"Dimethadione","CAS":"695-53-4","CAS.Checksum":true,"DTXSID":"DTXSID2020478","Formula":"C5H7NO3","All.Compound.Names":"Dimethadione|Dtxsid2020478|695-53-4","logHenry":-6.882,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.656,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.391,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5487,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.49,"MP.Reference":"EPA-CCD-OPERA","MW":129.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"695-53-4"}
{"Compound":"Pyrene, 4,5-dihydro-","CAS":"6628-98-4","CAS.Checksum":true,"DTXSID":"DTXSID20216489","Formula":"C16H12","All.Compound.Names":"Pyrene, 4,5-dihydro-|Dtxsid20216489","logHenry":-4.525,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.265,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.149,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.844,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.3,"MP.Reference":"EPA-CCD-OPERA","MW":204.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6628-98-4"}
{"Compound":"Acetic acid, oxydi-, dibutyl ester","CAS":"6634-18-0","CAS.Checksum":true,"DTXSID":"DTXSID20216545","Formula":"C12H22O5","All.Compound.Names":"Acetic acid, oxydi-, dibutyl ester|Dtxsid20216545","logHenry":-7.001,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.123,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.13,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.697,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.29,"MP.Reference":"EPA-CCD-OPERA","MW":246.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6634-18-0"}
{"Compound":"Heptadecyl acetate","CAS":"822-20-8","CAS.Checksum":true,"DTXSID":"DTXSID20231612","Formula":"C19H38O2","All.Compound.Names":"Heptadecyl acetate|Dtxsid20231612","logHenry":-6.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.122,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.285,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.5,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.86,"MP.Reference":"EPA-CCD-OPERA","MW":298.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"822-20-8"}
{"Compound":"Thiamine","CAS":"59-43-8","CAS.Checksum":true,"DTXSID":"DTXSID2023648","Formula":"C12H17ClN4OS","All.Compound.Names":"Thiamine|59-43-8|Dtxsid2023648","logHenry":-9.029,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7878,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.22,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.5,"MP.Reference":"EPA-CCD-OPERA","MW":300.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.045,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"59-43-8"}
{"Compound":"Dibenzothiophene, 2,6-dimethyl-","CAS":"89816-75-1","CAS.Checksum":true,"DTXSID":"DTXSID20237912","Formula":"C14H12S","All.Compound.Names":"Dibenzothiophene, 2,6-dimethyl-|Dtxsid20237912","logHenry":-4.095,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.843,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.331,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.257,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.81,"MP.Reference":"EPA-CCD-OPERA","MW":212.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89816-75-1"}
{"Compound":"Formic acid","CAS":"64-18-6","CAS.Checksum":true,"DTXSID":"DTXSID2024115","Formula":"CH2O2","All.Compound.Names":"Formic acid|Dtxsid2024115|64-18-6","logHenry":-6.775,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5402,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.156,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.024,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.476,"MP.Reference":"EPA-CCD-OPERA","MW":46.02,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64-18-6"}
{"Compound":"(2e,4e)-2,4-hexadienal","CAS":"142-83-6","CAS.Checksum":true,"DTXSID":"DTXSID2025391","Formula":"C6H8O","All.Compound.Names":"(2e,4e)-2,4-hexadienal|Dtxsid2025391","logHenry":-5.005,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.66,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.691,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6639,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.666,"MP.Reference":"EPA-CCD-OPERA","MW":96.13,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-83-6"}
{"Compound":"Isopropylamine","CAS":"75-31-0","CAS.Checksum":true,"DTXSID":"DTXSID2025682","Formula":"C3H9N","All.Compound.Names":"Isopropylamine|Dtxsid2025682|75-31-0","logHenry":-4.827,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2608,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.418,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.227,"logWSol.Reference":"EPA-CCD-OPERA","MP":-95,"MP.Reference":"EPA-CCD-OPERA","MW":59.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-31-0"}
{"Compound":"Sodium 3-nitrobenzenesulfonate","CAS":"127-68-4","CAS.Checksum":true,"DTXSID":"DTXSID2027048","Formula":"C6H4NNaO5S","All.Compound.Names":"Sodium 3-nitrobenzenesulfonate|Dtxsid2027048|127-68-4","logHenry":-8.849,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.61,"logP.Reference":"EPA-CCD-OPERA","logPwa":11,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2673,"logWSol.Reference":"EPA-CCD-OPERA","MP":196.7,"MP.Reference":"EPA-CCD-OPERA","MW":225.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127-68-4"}
{"Compound":"2,2,3-trimethylhexane","CAS":"16747-25-4","CAS.Checksum":true,"DTXSID":"DTXSID20274842","Formula":"C9H20","All.Compound.Names":"2,2,3-trimethylhexane|Dtxsid20274842","logHenry":-0.4406,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.631,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.9937,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.176,"logWSol.Reference":"EPA-CCD-OPERA","MP":-107.3,"MP.Reference":"EPA-CCD-OPERA","MW":128.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16747-25-4"}
{"Compound":"Chlordene","CAS":"3734-48-3","CAS.Checksum":true,"DTXSID":"DTXSID2027545","Formula":"C10H6Cl6","All.Compound.Names":"Chlordene|Dtxsid2027545","logHenry":-4.095,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.506,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.465,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.397,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.77,"MP.Reference":"EPA-CCD-OPERA","MW":338.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3734-48-3"}
{"Compound":"2,2,6-trimethyloctane","CAS":"62016-28-8","CAS.Checksum":true,"DTXSID":"DTXSID20334819","Formula":"C11H24","All.Compound.Names":"2,2,6-trimethyloctane|Dtxsid20334819","logHenry":-0.8102,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.297,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8636,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.299,"logWSol.Reference":"EPA-CCD-OPERA","MP":-108.2,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62016-28-8"}
{"Compound":"5-methyl-1-undecene","CAS":"146919-79-1","CAS.Checksum":true,"DTXSID":"DTXSID20334995","Formula":"C12H24","All.Compound.Names":"5-methyl-1-undecene|Dtxsid20334995","logHenry":-1.176,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.836,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6605,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.956,"logWSol.Reference":"EPA-CCD-OPERA","MP":-124.5,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"146919-79-1"}
{"Compound":"(1-methylundecyl)cyclohexane","CAS":"13151-82-1","CAS.Checksum":true,"DTXSID":"DTXSID20335306","Formula":"C18H36","All.Compound.Names":"(1-methylundecyl)cyclohexane|Dtxsid20335306","logHenry":-3.588,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.941,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.7657,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.218,"logWSol.Reference":"EPA-CCD-OPERA","MP":-87.01,"MP.Reference":"EPA-CCD-OPERA","MW":252.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13151-82-1"}
{"Compound":"Methyl perfluorohexanoate","CAS":"424-18-0","CAS.Checksum":true,"DTXSID":"DTXSID20335700","Formula":"C7H3F11O2","All.Compound.Names":"Methyl perfluorohexanoate|Dtxsid20335700","logHenry":-2.961,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.279,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6111,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.28,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.56,"MP.Reference":"EPA-CCD-OPERA","MW":328.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"424-18-0"}
{"Compound":"3-methylheptyl acetate","CAS":"72218-58-7","CAS.Checksum":true,"DTXSID":"DTXSID20336979","Formula":"C10H20O2","All.Compound.Names":"3-methylheptyl acetate|Dtxsid20336979","logHenry":-3.253,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.072,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8973,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.483,"logWSol.Reference":"EPA-CCD-OPERA","MP":-59.48,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72218-58-7"}
{"Compound":"2-(perfluorooctyl)ethanthiol","CAS":"34143-74-3","CAS.Checksum":true,"DTXSID":"DTXSID20337446","Formula":"C10H5F17S","All.Compound.Names":"2-(perfluorooctyl)ethanthiol|Dtxsid20337446|34143-74-3","logHenry":-9.678,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.302,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.575,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.64,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.86,"MP.Reference":"EPA-CCD-OPERA","MW":480.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"34143-74-3"}
{"Compound":"5h-perfluoropentanal","CAS":"2648-47-7","CAS.Checksum":true,"DTXSID":"DTXSID20337466","Formula":"C5H2F8O","All.Compound.Names":"5h-perfluoropentanal|Dtxsid20337466","logHenry":-2.36,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.083,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.361,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.957,"logWSol.Reference":"EPA-CCD-OPERA","MP":-75.9,"MP.Reference":"EPA-CCD-OPERA","MW":230.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"2648-47-7"}
{"Compound":"4-nonene, 3-methyl-, (z)-","CAS":"63830-69-3","CAS.Checksum":true,"DTXSID":"DTXSID20337643","Formula":"C10H20","All.Compound.Names":"4-nonene, 3-methyl-, (z)-|Dtxsid20337643","logHenry":-1.155,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.379,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.9011,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.662,"logWSol.Reference":"EPA-CCD-OPERA","MP":-68.79,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63830-69-3"}
{"Compound":"1-nonyl-2-propan-2-ylcyclopropane","CAS":"41977-39-3","CAS.Checksum":true,"DTXSID":"DTXSID20337800","Formula":"C15H30","All.Compound.Names":"1-nonyl-2-propan-2-ylcyclopropane|Dtxsid20337800","logHenry":-2.491,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.257,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3531,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.266,"logWSol.Reference":"EPA-CCD-OPERA","MP":-128.3,"MP.Reference":"EPA-CCD-OPERA","MW":210.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41977-39-3"}
{"Compound":"(8e,10z)-1,8,10-tridecatriene","CAS":"80625-30-5","CAS.Checksum":true,"DTXSID":"DTXSID20338397","Formula":"C13H22","All.Compound.Names":"(8e,10z)-1,8,10-tridecatriene|Dtxsid20338397","logHenry":-2.262,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.919,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1954,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.519,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.2,"MP.Reference":"EPA-CCD-OPERA","MW":178.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80625-30-5"}
{"Compound":"3,3-dimethyl-1-octene","CAS":"74511-51-6","CAS.Checksum":true,"DTXSID":"DTXSID20338514","Formula":"C10H20","All.Compound.Names":"3,3-dimethyl-1-octene|Dtxsid20338514","logHenry":-0.8411,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.904,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.761,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.264,"logWSol.Reference":"EPA-CCD-OPERA","MP":-108.8,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74511-51-6"}
{"Compound":"2-ethyl-1-decene","CAS":"71138-64-2","CAS.Checksum":true,"DTXSID":"DTXSID20338716","Formula":"C12H24","All.Compound.Names":"2-ethyl-1-decene|Dtxsid20338716","logHenry":-1.495,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.82,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.257,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.466,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.51,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71138-64-2"}
{"Compound":"5-hexadecyne","CAS":"71899-37-1","CAS.Checksum":true,"DTXSID":"DTXSID20339566","Formula":"C16H30","All.Compound.Names":"5-hexadecyne|Dtxsid20339566","logHenry":-2.91,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.423,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3758,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.306,"logWSol.Reference":"EPA-CCD-OPERA","MP":-68.53,"MP.Reference":"EPA-CCD-OPERA","MW":222.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71899-37-1"}
{"Compound":"1-methyl-1h-imidazol-2-amine","CAS":"6646-51-1","CAS.Checksum":true,"DTXSID":"DTXSID20340652","Formula":"C4H7N3","All.Compound.Names":"1-methyl-1h-imidazol-2-amine|Dtxsid20340652|6646-51-1","logHenry":-6.626,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.09621,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.891,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1006,"logWSol.Reference":"EPA-CCD-OPERA","MP":158.1,"MP.Reference":"EPA-CCD-OPERA","MW":97.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6646-51-1"}
{"Compound":"1,4-diphenyl-2,3-diazabicyclo[2.2.2]oct-2-ene","CAS":"87433-33-8","CAS.Checksum":true,"DTXSID":"DTXSID20342515","Formula":"C18H18N2","All.Compound.Names":"1,4-diphenyl-2,3-diazabicyclo[2.2.2]oct-2-ene|Dtxsid20342515|87433-33-8","logHenry":-4.19,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.888,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.991,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.055,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.8,"MP.Reference":"EPA-CCD-OPERA","MW":262.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.89","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87433-33-8"}
{"Compound":"Furan, 2-[2-[4-(1-methylethyl)phenyl]cyclopropyl]-","CAS":"84922-05-4","CAS.Checksum":true,"DTXSID":"DTXSID20345283","Formula":"C16H18O","All.Compound.Names":"Furan, 2-[2-[4-(1-methylethyl)phenyl]cyclopropyl]-|Dtxsid20345283|84922-05-4","logHenry":-3.625,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.732,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.717,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.148,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.62,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84922-05-4"}
{"Compound":"(z)-13-octadecenal","CAS":"58594-45-9","CAS.Checksum":true,"DTXSID":"DTXSID2035774","Formula":"C18H34O","All.Compound.Names":"(z)-13-octadecenal|Dtxsid2035774","logHenry":-6.362,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.306,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.557,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.585,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.21,"MP.Reference":"EPA-CCD-OPERA","MW":266.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58594-45-9"}
{"Compound":"Perfluoro-3,6-dioxaoctane-1,8-dioic acid","CAS":"55621-21-1","CAS.Checksum":true,"DTXSID":"DTXSID20375106","Formula":"C6H2F8O6","All.Compound.Names":"Perfluoro-3,6-dioxaoctane-1,8-dioic acid|Dtxsid20375106|55621-21-1","logHenry":-10.2,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.119,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.086,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.06079,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.5,"MP.Reference":"EPA-CCD-OPERA","MW":322.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"55621-21-1"}
{"Compound":"3-[diethoxy(methyl)silyl]propan-1-amine","CAS":"3179-76-8","CAS.Checksum":true,"DTXSID":"DTXSID2038817","Formula":"C8H21NO2Si","All.Compound.Names":"3-[diethoxy(methyl)silyl]propan-1-amine|Dtxsid2038817|3179-76-8","logHenry":-4.823,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.819,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.858,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.369,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.8,"MP.Reference":"EPA-CCD-OPERA","MW":191.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.39","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3179-76-8"}
{"Compound":"Trans,trans-farnesol","CAS":"106-28-5","CAS.Checksum":true,"DTXSID":"DTXSID2040789","Formula":"C15H26O","All.Compound.Names":"Trans,trans-farnesol|Dtxsid2040789|106-28-5","logHenry":-5.797,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.912,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.627,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.101,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.78,"MP.Reference":"EPA-CCD-OPERA","MW":222.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-28-5"}
{"Compound":"Allidochlor","CAS":"93-71-0","CAS.Checksum":true,"DTXSID":"DTXSID2041591","Formula":"C8H12ClNO","All.Compound.Names":"Allidochlor|Dtxsid2041591|93-71-0","logHenry":-6.358,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.199,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.633,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6137,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.42,"MP.Reference":"EPA-CCD-OPERA","MW":173.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-71-0"}
{"Compound":"Cbmicro_014501","CAS":"6069-97-2","CAS.Checksum":true,"DTXSID":"DTXSID20417439","Formula":"C25H25F4N5O","All.Compound.Names":"Cbmicro_014501|Dtxsid20417439|6069-97-2","logHenry":-7.305,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.874,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.864,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.959,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.1,"MP.Reference":"EPA-CCD-OPERA","MW":487.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6069-97-2"}
{"Compound":"Dehydroabietylamine","CAS":"1446-61-3","CAS.Checksum":true,"DTXSID":"DTXSID2041834","Formula":"C20H31N","All.Compound.Names":"Dehydroabietylamine|Dtxsid2041834|1446-61-3","logHenry":-4.699,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.549,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.345,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.123,"logWSol.Reference":"EPA-CCD-OPERA","MP":170.6,"MP.Reference":"EPA-CCD-OPERA","MW":285.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1446-61-3"}
{"Compound":"Verbenol","CAS":"473-67-6","CAS.Checksum":true,"DTXSID":"DTXSID2042511","Formula":"C10H16O","All.Compound.Names":"Verbenol|Dtxsid2042511|473-67-6","logHenry":-5.603,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.159,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.673,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.166,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.98,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"473-67-6"}
{"Compound":"3-methylbutyl phenylacetate","CAS":"102-19-2","CAS.Checksum":true,"DTXSID":"DTXSID2044501","Formula":"C13H18O2","All.Compound.Names":"3-methylbutyl phenylacetate|Dtxsid2044501","logHenry":-4.192,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.44,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.279,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.621,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.1,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102-19-2"}
{"Compound":"Decamethyltetrasiloxane","CAS":"141-62-8","CAS.Checksum":true,"DTXSID":"DTXSID2044551","Formula":"C10H30O3Si4","All.Compound.Names":"Decamethyltetrasiloxane|Dtxsid2044551","logHenry":1.23,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.208,"logP.Reference":"EPA-CCD-OPERA","logPwa":-3.666,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.663,"logWSol.Reference":"EPA-CCD-OPERA","MP":-75.98,"MP.Reference":"EPA-CCD-OPERA","MW":310.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-62-8"}
{"Compound":"Glyphosine","CAS":"2439-99-8","CAS.Checksum":true,"DTXSID":"DTXSID2044557","Formula":"C4H11NO8P2","All.Compound.Names":"Glyphosine|Dtxsid2044557|2439-99-8","logHenry":-10.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.242,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.71,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.02565,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.3,"MP.Reference":"EPA-CCD-OPERA","MW":263.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-2.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2439-99-8"}
{"Compound":"Vatalanib","CAS":"212141-54-3","CAS.Checksum":true,"DTXSID":"DTXSID2046919","Formula":"C20H15ClN4","All.Compound.Names":"Vatalanib|Dtxsid2046919|212141-54-3","logHenry":-6.635,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.559,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.715,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.633,"logWSol.Reference":"EPA-CCD-OPERA","MP":172.1,"MP.Reference":"EPA-CCD-OPERA","MW":346.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"212141-54-3"}
{"Compound":"Ssr 241586 hcl","CAS":"NOCAS_47353","CAS.Checksum":false,"DTXSID":"DTXSID2047353","Formula":"C32H43Cl3N4O3","All.Compound.Names":"Ssr 241586 hcl|Dtxsid2047353|NOCAS_47353","logHenry":-7.449,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.041,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.634,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.288,"logWSol.Reference":"EPA-CCD-OPERA","MP":171.1,"MP.Reference":"EPA-CCD-OPERA","MW":638.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_47353"}
{"Compound":"Tropine","CAS":"120-29-6","CAS.Checksum":true,"DTXSID":"DTXSID2049399","Formula":"C8H15NO","All.Compound.Names":"Tropine|Dtxsid2049399|120-29-6","logHenry":-6.435,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.523,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.718,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4773,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.55,"MP.Reference":"EPA-CCD-OPERA","MW":141.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"120-29-6"}
{"Compound":"2-ethoxynaphthalene","CAS":"93-18-5","CAS.Checksum":true,"DTXSID":"DTXSID2049684","Formula":"C12H12O","All.Compound.Names":"2-ethoxynaphthalene|Dtxsid2049684","logHenry":-3.974,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.83,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.819,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.229,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.77,"MP.Reference":"EPA-CCD-OPERA","MW":172.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"93-18-5"}
{"Compound":"1,1,2,3-tetrachloropropene","CAS":"10436-39-2","CAS.Checksum":true,"DTXSID":"DTXSID2051475","Formula":"C3H2Cl4","All.Compound.Names":"1,1,2,3-tetrachloropropene|Dtxsid2051475","logHenry":-3.258,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.286,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.143,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.489,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.98,"MP.Reference":"EPA-CCD-OPERA","MW":179.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10436-39-2"}
{"Compound":"3-methylanisole","CAS":"100-84-5","CAS.Checksum":true,"DTXSID":"DTXSID2051500","Formula":"C8H10O","All.Compound.Names":"3-methylanisole|Dtxsid2051500","logHenry":-5.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.66,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.489,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.306,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.9,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-84-5"}
{"Compound":"2-ethylhexyl fumarate","CAS":"141-02-6","CAS.Checksum":true,"DTXSID":"DTXSID2051710","Formula":"C20H36O4","All.Compound.Names":"2-ethylhexyl fumarate|Dtxsid2051710","logHenry":-6.646,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.178,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.033,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.538,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.19,"MP.Reference":"EPA-CCD-OPERA","MW":340.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-02-6"}
{"Compound":"Chloroaluminum phthalocyanine","CAS":"14154-42-8","CAS.Checksum":true,"DTXSID":"DTXSID2051714","Formula":"C32H18AlClN8","All.Compound.Names":"Chloroaluminum phthalocyanine|Dtxsid2051714|14154-42-8","logHenry":-9.022,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.53,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.124,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.956,"logWSol.Reference":"EPA-CCD-OPERA","MP":176.7,"MP.Reference":"EPA-CCD-OPERA","MW":577,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14154-42-8"}
{"Compound":"P-isopropylphenylacetaldehyde","CAS":"4395-92-0","CAS.Checksum":true,"DTXSID":"DTXSID2052102","Formula":"C12H16","All.Compound.Names":"P-isopropylphenylacetaldehyde|Dtxsid2052102","logHenry":-2.102,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.394,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.091,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.845,"logWSol.Reference":"EPA-CCD-OPERA","MP":-68.27,"MP.Reference":"EPA-CCD-OPERA","MW":160.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4395-92-0"}
{"Compound":"Dimethyl dicarbonate","CAS":"4525-33-1","CAS.Checksum":true,"DTXSID":"DTXSID2052108","Formula":"C4H6O5","All.Compound.Names":"Dimethyl dicarbonate|Dtxsid2052108","logHenry":-4.532,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.47,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.342,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.546,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.79,"MP.Reference":"EPA-CCD-OPERA","MW":134.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4525-33-1"}
{"Compound":"Hexadecyl acetate","CAS":"629-70-9","CAS.Checksum":true,"DTXSID":"DTXSID2052312","Formula":"C18H36O2","All.Compound.Names":"Hexadecyl acetate|Dtxsid2052312","logHenry":-6.503,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.658,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.205,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.605,"logWSol.Reference":"EPA-CCD-OPERA","MP":-13.09,"MP.Reference":"EPA-CCD-OPERA","MW":284.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"629-70-9"}
{"Compound":"5-ethyl-3-hydroxy-4-methylfuran-2(5h)-one","CAS":"698-10-2","CAS.Checksum":true,"DTXSID":"DTXSID2052441","Formula":"C7H10O3","All.Compound.Names":"5-ethyl-3-hydroxy-4-methylfuran-2(5h)-one|Dtxsid2052441","logHenry":-6.315,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6982,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.292,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1386,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.11,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"698-10-2"}
{"Compound":"Calcium di[(2e,4e)-2,4-hexadienoate]","CAS":"7492-55-9","CAS.Checksum":true,"DTXSID":"DTXSID2052491","Formula":"C12H14CaO4","All.Compound.Names":"Calcium di[(2e,4e)-2,4-hexadienoate]|Dtxsid2052491|7492-55-9","logHenry":-6.177,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.773,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.585,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.704,"logWSol.Reference":"EPA-CCD-OPERA","MP":223.3,"MP.Reference":"EPA-CCD-OPERA","MW":262.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7492-55-9"}
{"Compound":"[2-(1-propoxyethoxy)ethyl]benzene","CAS":"7493-57-4","CAS.Checksum":true,"DTXSID":"DTXSID2052493","Formula":"C13H20O2","All.Compound.Names":"[2-(1-propoxyethoxy)ethyl]benzene|Dtxsid2052493","logHenry":-3.852,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.802,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.102,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.728,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.61,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7493-57-4"}
{"Compound":"Butyl octyl phthalate","CAS":"84-78-6","CAS.Checksum":true,"DTXSID":"DTXSID2052578","Formula":"C20H30O4","All.Compound.Names":"Butyl octyl phthalate|Dtxsid2052578","logHenry":-6.686,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.243,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.468,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.156,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.73,"MP.Reference":"EPA-CCD-OPERA","MW":334.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84-78-6"}
{"Compound":"C.i. pigment red 122","CAS":"980-26-7","CAS.Checksum":true,"DTXSID":"DTXSID2052655","Formula":"C22H16N2O2","All.Compound.Names":"C.i. pigment red 122|Dtxsid2052655|980-26-7","logHenry":-9.53,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.116,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.549,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.61,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.3,"MP.Reference":"EPA-CCD-OPERA","MW":340.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"980-26-7"}
{"Compound":"Diisobutyl succinate","CAS":"925-06-4","CAS.Checksum":true,"DTXSID":"DTXSID2052734","Formula":"C12H22O4","All.Compound.Names":"Diisobutyl succinate|Dtxsid2052734","logHenry":-6.652,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.377,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.928,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.673,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.176,"MP.Reference":"EPA-CCD-OPERA","MW":230.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"925-06-4"}
{"Compound":"Tetraethyl ethylenebisphosphonate","CAS":"995-32-4","CAS.Checksum":true,"DTXSID":"DTXSID2052738","Formula":"C10H24O6P2","All.Compound.Names":"Tetraethyl ethylenebisphosphonate|Dtxsid2052738","logHenry":-6.469,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.679,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.953,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8312,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.061,"MP.Reference":"EPA-CCD-OPERA","MW":302.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"995-32-4"}
{"Compound":"4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile","CAS":"57964-39-3","CAS.Checksum":true,"DTXSID":"DTXSID2057576","Formula":"C14H14N2","All.Compound.Names":"4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile|Dtxsid2057576","logHenry":-4.155,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.322,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.213,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.94,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.4,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57964-39-3"}
{"Compound":"Dextroamphetamine sulfate","CAS":"51-63-8","CAS.Checksum":true,"DTXSID":"DTXSID2057865","Formula":"C18H28N2O4S","All.Compound.Names":"Dextroamphetamine sulfate|Dtxsid2057865|51-63-8","logHenry":-5.568,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6024,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.236,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8747,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.2,"MP.Reference":"EPA-CCD-OPERA","MW":368.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.87","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51-63-8"}
{"Compound":"1-(2-methoxypropoxy)-2-propanol","CAS":"13429-07-7","CAS.Checksum":true,"DTXSID":"DTXSID2058621","Formula":"C7H16O3","All.Compound.Names":"1-(2-methoxypropoxy)-2-propanol|Dtxsid2058621|13429-07-7","logHenry":-8.424,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4108,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.278,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5282,"logWSol.Reference":"EPA-CCD-OPERA","MP":-40.09,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13429-07-7"}
{"Compound":"2,6-dimethylundecane","CAS":"17301-23-4","CAS.Checksum":true,"DTXSID":"DTXSID2058623","Formula":"C13H28","All.Compound.Names":"2,6-dimethylundecane|Dtxsid2058623","logHenry":-0.8374,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.504,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6305,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.877,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.77,"MP.Reference":"EPA-CCD-OPERA","MW":184.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17301-23-4"}
{"Compound":"Hexaethylene glycol","CAS":"2615-15-8","CAS.Checksum":true,"DTXSID":"DTXSID2058629","Formula":"C12H26O7","All.Compound.Names":"Hexaethylene glycol|Dtxsid2058629|2615-15-8","logHenry":-8.813,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2672,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.679,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.35,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.004,"MP.Reference":"EPA-CCD-OPERA","MW":282.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.58","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2615-15-8"}
{"Compound":"2-methyldecane","CAS":"6975-98-0","CAS.Checksum":true,"DTXSID":"DTXSID2058677","Formula":"C11H24","All.Compound.Names":"2-methyldecane|Dtxsid2058677","logHenry":-0.8268,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.85,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.008,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.541,"logWSol.Reference":"EPA-CCD-OPERA","MP":-73.22,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6975-98-0"}
{"Compound":"Benzhydrol","CAS":"91-01-0","CAS.Checksum":true,"DTXSID":"DTXSID2059015","Formula":"C13H12O","All.Compound.Names":"Benzhydrol|Dtxsid2059015|91-01-0","logHenry":-6.915,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.67,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.006,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.552,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.07,"MP.Reference":"EPA-CCD-OPERA","MW":184.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91-01-0"}
{"Compound":"2-bromo-6-chloro-4-nitroaniline","CAS":"99-29-6","CAS.Checksum":true,"DTXSID":"DTXSID2059192","Formula":"C6H4BrClN2O2","All.Compound.Names":"2-bromo-6-chloro-4-nitroaniline|Dtxsid2059192|99-29-6","logHenry":-8.57,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.704,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.962,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.984,"logWSol.Reference":"EPA-CCD-OPERA","MP":160.4,"MP.Reference":"EPA-CCD-OPERA","MW":251.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-1.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-29-6"}
{"Compound":"Ethanamine, 2-chloro-n,n-dimethyl-","CAS":"107-99-3","CAS.Checksum":true,"DTXSID":"DTXSID2059356","Formula":"C4H10ClN","All.Compound.Names":"Ethanamine, 2-chloro-n,n-dimethyl-|Dtxsid2059356|107-99-3","logHenry":-4.414,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.191,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.04,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1014,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.33,"MP.Reference":"EPA-CCD-OPERA","MW":107.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-99-3"}
{"Compound":"Propane, 2,2-diethoxy-","CAS":"126-84-1","CAS.Checksum":true,"DTXSID":"DTXSID2059568","Formula":"C7H16O2","All.Compound.Names":"Propane, 2,2-diethoxy-|Dtxsid2059568","logHenry":-3.622,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.576,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.361,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.959,"logWSol.Reference":"EPA-CCD-OPERA","MP":-79.9,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"126-84-1"}
{"Compound":"Azulene","CAS":"275-51-4","CAS.Checksum":true,"DTXSID":"DTXSID2059770","Formula":"C10H8","All.Compound.Names":"Azulene|Dtxsid2059770","logHenry":-3.412,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.207,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.962,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.611,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.65,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"275-51-4"}
{"Compound":"M-cymene","CAS":"535-77-3","CAS.Checksum":true,"DTXSID":"DTXSID2060206","Formula":"C10H14","All.Compound.Names":"M-cymene|Dtxsid2060206","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.494,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1851,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.628,"logWSol.Reference":"EPA-CCD-OPERA","MP":-67.98,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"535-77-3"}
{"Compound":"Pentane, 2,3,3-trimethyl-","CAS":"560-21-4","CAS.Checksum":true,"DTXSID":"DTXSID2060333","Formula":"C8H18","All.Compound.Names":"Pentane, 2,3,3-trimethyl-|Dtxsid2060333","logHenry":-0.4217,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.818,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6011,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.922,"logWSol.Reference":"EPA-CCD-OPERA","MP":-106.8,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"560-21-4"}
{"Compound":"2,3-dimethylnaphthalene","CAS":"581-40-8","CAS.Checksum":true,"DTXSID":"DTXSID2060383","Formula":"C12H12","All.Compound.Names":"2,3-dimethylnaphthalene|Dtxsid2060383","logHenry":-3.044,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.4,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.563,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.755,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.74,"MP.Reference":"EPA-CCD-OPERA","MW":156.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"581-40-8"}
{"Compound":"Gamma-terpineol","CAS":"586-81-2","CAS.Checksum":true,"DTXSID":"DTXSID2060416","Formula":"C10H18O","All.Compound.Names":"Gamma-terpineol|Dtxsid2060416|586-81-2","logHenry":-6.283,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.983,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.657,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.154,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.26,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"586-81-2"}
{"Compound":"Methyl o-benzoylbenzoate","CAS":"606-28-0","CAS.Checksum":true,"DTXSID":"DTXSID2060549","Formula":"C15H12O3","All.Compound.Names":"Methyl o-benzoylbenzoate|Dtxsid2060549","logHenry":-7.621,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.702,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.226,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.481,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.21,"MP.Reference":"EPA-CCD-OPERA","MW":240.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"606-28-0"}
{"Compound":"2-propylpyridine","CAS":"622-39-9","CAS.Checksum":true,"DTXSID":"DTXSID2060751","Formula":"C8H11N","All.Compound.Names":"2-propylpyridine|Dtxsid2060751|622-39-9","logHenry":-5.008,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.196,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.249,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9184,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.7741,"MP.Reference":"EPA-CCD-OPERA","MW":121.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"622-39-9"}
{"Compound":"Myristanilide","CAS":"622-56-0","CAS.Checksum":true,"DTXSID":"DTXSID2060753","Formula":"C20H33NO","All.Compound.Names":"Myristanilide|Dtxsid2060753|622-56-0","logHenry":-7.9,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.313,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.255,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.885,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.96,"MP.Reference":"EPA-CCD-OPERA","MW":303.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"622-56-0"}
{"Compound":"Heptafluorobutyramide","CAS":"662-50-0","CAS.Checksum":true,"DTXSID":"DTXSID2060965","Formula":"C4H2F7NO","All.Compound.Names":"Heptafluorobutyramide|Dtxsid2060965|662-50-0","logHenry":-4.591,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.001,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.19,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.347,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.096,"MP.Reference":"EPA-CCD-OPERA","MW":213.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.61","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"662-50-0"}
{"Compound":"Cyclohexane, (1-methylethyl)-","CAS":"696-29-7","CAS.Checksum":true,"DTXSID":"DTXSID2061012","Formula":"C9H18","All.Compound.Names":"Cyclohexane, (1-methylethyl)-|Dtxsid2061012","logHenry":-1.106,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.511,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5427,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.942,"logWSol.Reference":"EPA-CCD-OPERA","MP":-84.84,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"696-29-7"}
{"Compound":"Benzene, octyl-","CAS":"2189-60-8","CAS.Checksum":true,"DTXSID":"DTXSID2062240","Formula":"C14H22","All.Compound.Names":"Benzene, octyl-|Dtxsid2062240","logHenry":-2.618,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.3,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.604,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.457,"logWSol.Reference":"EPA-CCD-OPERA","MP":-35.92,"MP.Reference":"EPA-CCD-OPERA","MW":190.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2189-60-8"}
{"Compound":"Pentylcyclohexane","CAS":"4292-92-6","CAS.Checksum":true,"DTXSID":"DTXSID2063399","Formula":"C11H22","All.Compound.Names":"Pentylcyclohexane|Dtxsid2063399","logHenry":-1.184,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.662,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5857,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.258,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.5,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4292-92-6"}
{"Compound":"Formic acid, cyclohexyl ester","CAS":"4351-54-6","CAS.Checksum":true,"DTXSID":"DTXSID2063426","Formula":"C7H12O2","All.Compound.Names":"Formic acid, cyclohexyl ester|Dtxsid2063426","logHenry":-4.002,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.512,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.213,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.177,"logWSol.Reference":"EPA-CCD-OPERA","MP":-27.48,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4351-54-6"}
{"Compound":"Ethylene glycol diallyl ether","CAS":"7529-27-3","CAS.Checksum":true,"DTXSID":"DTXSID2064733","Formula":"C8H14O2","All.Compound.Names":"Ethylene glycol diallyl ether|Dtxsid2064733","logHenry":-4.032,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.279,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.142,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4088,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.49,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7529-27-3"}
{"Compound":"3,3-dimethylhexane","CAS":"563-16-6","CAS.Checksum":true,"DTXSID":"DTXSID2073194","Formula":"C8H18","All.Compound.Names":"3,3-dimethylhexane|Dtxsid2073194","logHenry":-0.4223,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.554,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.9018,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.998,"logWSol.Reference":"EPA-CCD-OPERA","MP":-112.4,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"563-16-6"}
{"Compound":"Cyclopropylbenzene","CAS":"873-49-4","CAS.Checksum":true,"DTXSID":"DTXSID2074297","Formula":"C9H10","All.Compound.Names":"Cyclopropylbenzene|Dtxsid2074297","logHenry":-2.898,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.27,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.163,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.12,"logWSol.Reference":"EPA-CCD-OPERA","MP":-30.76,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"873-49-4"}
{"Compound":"4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undecane","CAS":"19078-35-4","CAS.Checksum":true,"DTXSID":"DTXSID20858828","Formula":"C15H26","All.Compound.Names":"4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undecane|Dtxsid20858828","logHenry":-2.238,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.224,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.135,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.995,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.1,"MP.Reference":"EPA-CCD-OPERA","MW":206.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19078-35-4"}
{"Compound":"Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate","CAS":"16409-45-3","CAS.Checksum":true,"DTXSID":"DTXSID20859153","Formula":"C12H22O2","All.Compound.Names":"Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate|Dtxsid20859153","logHenry":-3.383,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.002,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.876,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.923,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.084,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16409-45-3"}
{"Compound":"Perfluorobutanesulfonyl fluoride","CAS":"375-72-4","CAS.Checksum":true,"DTXSID":"DTXSID20861913","Formula":"C4F10O2S","All.Compound.Names":"Perfluorobutanesulfonyl fluoride|Dtxsid20861913","logHenry":-1.704,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.539,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.279,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.427,"logWSol.Reference":"EPA-CCD-OPERA","MP":-65.92,"MP.Reference":"EPA-CCD-OPERA","MW":302.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"375-72-4"}
{"Compound":"5-azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-","CAS":"13822-35-0","CAS.Checksum":true,"DTXSID":"DTXSID20862021","Formula":"C15H26O","All.Compound.Names":"5-azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-|Dtxsid20862021|13822-35-0","logHenry":-6.697,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.007,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.979,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.728,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.42,"MP.Reference":"EPA-CCD-OPERA","MW":222.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13822-35-0"}
{"Compound":"Dicaprylyl ether","CAS":"629-82-3","CAS.Checksum":true,"DTXSID":"DTXSID20862324","Formula":"C16H34O","All.Compound.Names":"Dicaprylyl ether|Dtxsid20862324","logHenry":-4.688,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.077,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.4706,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.299,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.332,"MP.Reference":"EPA-CCD-OPERA","MW":242.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"629-82-3"}
{"Compound":"Ethanone, 2-(acetyloxy)-1-phenyl-","CAS":"2243-35-8","CAS.Checksum":true,"DTXSID":"DTXSID20862889","Formula":"C10H10O3","All.Compound.Names":"Ethanone, 2-(acetyloxy)-1-phenyl-|Dtxsid20862889","logHenry":-6.427,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.328,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.418,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.915,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.97,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2243-35-8"}
{"Compound":"1,1,-trimethyl-3-phenylindane","CAS":"3910-35-8","CAS.Checksum":true,"DTXSID":"DTXSID20863290","Formula":"C18H20","All.Compound.Names":"1,1,-trimethyl-3-phenylindane|Dtxsid20863290","logHenry":-3.389,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.182,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.233,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.835,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.38,"MP.Reference":"EPA-CCD-OPERA","MW":236.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3910-35-8"}
{"Compound":"2-methyl-1-undecanol","CAS":"10522-26-6","CAS.Checksum":true,"DTXSID":"DTXSID20864287","Formula":"C12H26O","All.Compound.Names":"2-methyl-1-undecanol|Dtxsid20864287|10522-26-6","logHenry":-4.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.817,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.615,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.236,"logWSol.Reference":"EPA-CCD-OPERA","MP":-52.38,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10522-26-6"}
{"Compound":"2-butyl-2-octenal","CAS":"13019-16-4","CAS.Checksum":true,"DTXSID":"DTXSID20864348","Formula":"C12H22O","All.Compound.Names":"2-butyl-2-octenal|Dtxsid20864348","logHenry":-3.783,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.168,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.794,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.03,"logWSol.Reference":"EPA-CCD-OPERA","MP":23.83,"MP.Reference":"EPA-CCD-OPERA","MW":182.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13019-16-4"}
{"Compound":"1-phenyl-3-pentene","CAS":"1745-16-0","CAS.Checksum":true,"DTXSID":"DTXSID20870782","Formula":"C11H14","All.Compound.Names":"1-phenyl-3-pentene|Dtxsid20870782","logHenry":-2.099,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.19,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8746,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.23,"logWSol.Reference":"EPA-CCD-OPERA","MP":-54.05,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1745-16-0"}
{"Compound":"3-heptanol, 2,6-dimethyl-","CAS":"19549-73-6","CAS.Checksum":true,"DTXSID":"DTXSID20871294","Formula":"C9H20O","All.Compound.Names":"3-heptanol, 2,6-dimethyl-|Dtxsid20871294|19549-73-6","logHenry":-4.418,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.262,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.556,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.306,"logWSol.Reference":"EPA-CCD-OPERA","MP":-54.22,"MP.Reference":"EPA-CCD-OPERA","MW":144.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19549-73-6"}
{"Compound":"2-hexanol, 3,4-dimethyl-","CAS":"19550-05-1","CAS.Checksum":true,"DTXSID":"DTXSID20871299","Formula":"C8H18O","All.Compound.Names":"2-hexanol, 3,4-dimethyl-|Dtxsid20871299|19550-05-1","logHenry":-4.465,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.961,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.942,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.909,"logWSol.Reference":"EPA-CCD-OPERA","MP":-71.69,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19550-05-1"}
{"Compound":"Hexane, 3-ethyl-2,5-dimethyl-","CAS":"52897-04-8","CAS.Checksum":true,"DTXSID":"DTXSID20871411","Formula":"C10H22","All.Compound.Names":"Hexane, 3-ethyl-2,5-dimethyl-|Dtxsid20871411","logHenry":-0.6067,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.823,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.9215,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.59,"logWSol.Reference":"EPA-CCD-OPERA","MP":-115.3,"MP.Reference":"EPA-CCD-OPERA","MW":142.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52897-04-8"}
{"Compound":"Trans,trans,cis-1,5,9-cyclododecatriene","CAS":"706-31-0","CAS.Checksum":true,"DTXSID":"DTXSID20872347","Formula":"C12H18","All.Compound.Names":"Trans,trans,cis-1,5,9-cyclododecatriene|Dtxsid20872347","logHenry":-1.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.5,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2499,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.106,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.15,"MP.Reference":"EPA-CCD-OPERA","MW":162.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"706-31-0"}
{"Compound":"2-methyldodecane","CAS":"1560-97-0","CAS.Checksum":true,"DTXSID":"DTXSID20873238","Formula":"C13H28","All.Compound.Names":"2-methyldodecane|Dtxsid20873238","logHenry":-0.8386,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.417,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6938,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.879,"logWSol.Reference":"EPA-CCD-OPERA","MP":-51.22,"MP.Reference":"EPA-CCD-OPERA","MW":184.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1560-97-0"}
{"Compound":"Decahydro-2-methylnaphthalene","CAS":"2958-76-1","CAS.Checksum":true,"DTXSID":"DTXSID20873314","Formula":"C11H20","All.Compound.Names":"Decahydro-2-methylnaphthalene|Dtxsid20873314|2-methyldecalin","logHenry":-1.403,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.886,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1734,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.473,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.7,"MP.Reference":"EPA-CCD-OPERA","MW":152.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2958-76-1"}
{"Compound":"(6e)-6-dodecene","CAS":"7206-17-9","CAS.Checksum":true,"DTXSID":"DTXSID20874003","Formula":"C12H24","All.Compound.Names":"(6e)-6-dodecene|Dtxsid20874003","logHenry":-1.18,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.861,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.09063,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.015,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.56,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7206-17-9"}
{"Compound":"2h,2h,3h,3h-perfluorooctanoic acid","CAS":"914637-49-3","CAS.Checksum":true,"DTXSID":"DTXSID20874028","Formula":"C8H5F11O2","All.Compound.Names":"2h,2h,3h,3h-perfluorooctanoic acid|Dtxsid20874028|914637-49-3","logHenry":-9.643,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.296,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9543,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.283,"logWSol.Reference":"EPA-CCD-OPERA","MP":10.4,"MP.Reference":"EPA-CCD-OPERA","MW":342.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"914637-49-3"}
{"Compound":"Benzene, (1-ethylnonyl)-","CAS":"4536-87-2","CAS.Checksum":true,"DTXSID":"DTXSID20874982","Formula":"C17H28","All.Compound.Names":"Benzene, (1-ethylnonyl)-|Dtxsid20874982","logHenry":-3.227,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.53,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2789,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.953,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.966,"MP.Reference":"EPA-CCD-OPERA","MW":232.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4536-87-2"}
{"Compound":"1,2-ethanediol, monobenzoate","CAS":"94-33-7","CAS.Checksum":true,"DTXSID":"DTXSID20879477","Formula":"C9H10O3","All.Compound.Names":"1,2-ethanediol, monobenzoate|Dtxsid20879477|94-33-7","logHenry":-8.094,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.122,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.592,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.413,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.43,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-33-7"}
{"Compound":"1-hexyl-1-nitrocyclohexane","CAS":"118252-09-8","CAS.Checksum":true,"DTXSID":"DTXSID20880629","Formula":"C12H23NO2","All.Compound.Names":"1-hexyl-1-nitrocyclohexane|Dtxsid20880629","logHenry":-3.403,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.922,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.641,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.559,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.98,"MP.Reference":"EPA-CCD-OPERA","MW":213.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118252-09-8"}
{"Compound":"2-octanol, (2s)-","CAS":"6169-06-8","CAS.Checksum":true,"DTXSID":"DTXSID20880644","Formula":"C8H18O","All.Compound.Names":"2-octanol, (2s)-|Dtxsid20880644|6169-06-8","logHenry":-3.918,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.898,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.875,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.056,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.755,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6169-06-8"}
{"Compound":"6,10-dimethyl-3-(1-methylethylidene)-1-cyclodecene","CAS":"69239-71-0","CAS.Checksum":true,"DTXSID":"DTXSID20880649","Formula":"C15H26","All.Compound.Names":"6,10-dimethyl-3-(1-methylethylidene)-1-cyclodecene|Dtxsid20880649","logHenry":-1.978,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.817,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.09,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.998,"logWSol.Reference":"EPA-CCD-OPERA","MP":-96.55,"MP.Reference":"EPA-CCD-OPERA","MW":206.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69239-71-0"}
{"Compound":"1,6,9-tetradecatriene","CAS":"61233-71-4","CAS.Checksum":true,"DTXSID":"DTXSID20880664","Formula":"C14H24","All.Compound.Names":"1,6,9-tetradecatriene|Dtxsid20880664","logHenry":-2.329,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.625,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2952,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.805,"logWSol.Reference":"EPA-CCD-OPERA","MP":-75.11,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61233-71-4"}
{"Compound":"Cyclododecene, (e)-","CAS":"1486-75-5","CAS.Checksum":true,"DTXSID":"DTXSID20880669","Formula":"C12H22","All.Compound.Names":"Cyclododecene, (e)-|Dtxsid20880669","logHenry":-1.404,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.808,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.09811,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.268,"logWSol.Reference":"EPA-CCD-OPERA","MP":-76.32,"MP.Reference":"EPA-CCD-OPERA","MW":166.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1486-75-5"}
{"Compound":"Acetone, 1-[4-(dimethylaminoethoxy)phenyl]-","CAS":"86608-11-9","CAS.Checksum":true,"DTXSID":"DTXSID20880684","Formula":"C13H19NO2","All.Compound.Names":"Acetone, 1-[4-(dimethylaminoethoxy)phenyl]-|Dtxsid20880684|86608-11-9","logHenry":-7.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.867,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.565,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.216,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.8,"MP.Reference":"EPA-CCD-OPERA","MW":221.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86608-11-9"}
{"Compound":"Cyclopropane, 1-bromo-2-(1,1-dimethylethyl)-","CAS":"55682-99-0","CAS.Checksum":true,"DTXSID":"DTXSID20880689","Formula":"C7H13Br","All.Compound.Names":"Cyclopropane, 1-bromo-2-(1,1-dimethylethyl)-|Dtxsid20880689","logHenry":-2.147,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.952,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.888,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.915,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.25,"MP.Reference":"EPA-CCD-OPERA","MW":177.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55682-99-0"}
{"Compound":"Trans-4-(1-methylethyl)cyclohexanemethanol","CAS":"13674-19-6","CAS.Checksum":true,"DTXSID":"DTXSID20880700","Formula":"C10H20O","All.Compound.Names":"Trans-4-(1-methylethyl)cyclohexanemethanol|Dtxsid20880700|13674-19-6","logHenry":-4.613,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.297,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.008,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.04,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.626,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13674-19-6"}
{"Compound":"3-hexanol, 2,4-dimethyl-","CAS":"13432-25-2","CAS.Checksum":true,"DTXSID":"DTXSID20880705","Formula":"C8H18O","All.Compound.Names":"3-hexanol, 2,4-dimethyl-|Dtxsid20880705|13432-25-2","logHenry":-4.464,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.645,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.258,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.784,"logWSol.Reference":"EPA-CCD-OPERA","MP":-35.15,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13432-25-2"}
{"Compound":"Benzene, (1,3-dimethylbutyl)-","CAS":"19219-84-2","CAS.Checksum":true,"DTXSID":"DTXSID20880720","Formula":"C12H18","All.Compound.Names":"Benzene, (1,3-dimethylbutyl)-|Dtxsid20880720","logHenry":-1.904,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.769,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.4281,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.813,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.07,"MP.Reference":"EPA-CCD-OPERA","MW":162.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19219-84-2"}
{"Compound":"Cholestane","CAS":"481-21-0","CAS.Checksum":true,"DTXSID":"DTXSID20880725","Formula":"C27H48","All.Compound.Names":"Cholestane|Dtxsid20880725|5-alpha-cholestane","logHenry":-2.78,"logHenry.Reference":"OPERA29","logP":7.25,"logP.Reference":"OPERA29","logWSol":-7.24,"logWSol.Reference":"OPERA29","MP":76,"MP.Reference":"OPERA29","MW":372.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"481-21-0"}
{"Compound":"(z)-14-methylhexadec-8-enal","CAS":"60609-53-2","CAS.Checksum":true,"DTXSID":"DTXSID20880740","Formula":"C17H32O","All.Compound.Names":"(z)-14-methylhexadec-8-enal|Dtxsid20880740","logHenry":-5.015,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.987,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.221,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.527,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.04,"MP.Reference":"EPA-CCD-OPERA","MW":252.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60609-53-2"}
{"Compound":"Cyclohexane, 1-methyl-4-(1-methylbutyl)-","CAS":"54411-00-6","CAS.Checksum":true,"DTXSID":"DTXSID20880745","Formula":"C12H24","All.Compound.Names":"Cyclohexane, 1-methyl-4-(1-methylbutyl)-|Dtxsid20880745","logHenry":-1.184,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.522,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.341,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.629,"logWSol.Reference":"EPA-CCD-OPERA","MP":-82.4,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54411-00-6"}
{"Compound":"2-heptanol, 5-ethyl-","CAS":"19780-40-6","CAS.Checksum":true,"DTXSID":"DTXSID20880760","Formula":"C9H20O","All.Compound.Names":"2-heptanol, 5-ethyl-|Dtxsid20880760|19780-40-6","logHenry":-4.406,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.303,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.711,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.482,"logWSol.Reference":"EPA-CCD-OPERA","MP":-33.98,"MP.Reference":"EPA-CCD-OPERA","MW":144.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19780-40-6"}
{"Compound":"3-hexene, 3-methyl-, (z)-","CAS":"4914-89-0","CAS.Checksum":true,"DTXSID":"DTXSID20880765","Formula":"C7H14","All.Compound.Names":"3-hexene, 3-methyl-, (z)-|Dtxsid20880765|(z)-3-methyl-3-hexene","logHenry":-0.6859,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.684,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1463,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.095,"logWSol.Reference":"EPA-CCD-OPERA","MP":-124.6,"MP.Reference":"EPA-CCD-OPERA","MW":98.19,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4914-89-0"}
{"Compound":"2-naphthalenamine, 1,2,4a,5,6,7,8,8a-octahydro-4a-methyl-","CAS":"56053-03-3","CAS.Checksum":true,"DTXSID":"DTXSID20880780","Formula":"C11H19N","All.Compound.Names":"2-naphthalenamine, 1,2,4a,5,6,7,8,8a-octahydro-4a-methyl-|Dtxsid20880780|56053-03-3","logHenry":-4.784,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.74,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.993,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.311,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.21,"MP.Reference":"EPA-CCD-OPERA","MW":165.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56053-03-3"}
{"Compound":"Cyclopropane, 1-heptyl-2-methyl-","CAS":"74663-91-5","CAS.Checksum":true,"DTXSID":"DTXSID20880785","Formula":"C11H22","All.Compound.Names":"Cyclopropane, 1-heptyl-2-methyl-|Dtxsid20880785","logHenry":-1.179,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.559,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5717,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.237,"logWSol.Reference":"EPA-CCD-OPERA","MP":-110.7,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74663-91-5"}
{"Compound":"Anthracene, 9-ethyl-9,10-dihydro-9,10-dimethyl-","CAS":"54947-86-3","CAS.Checksum":true,"DTXSID":"DTXSID20880801","Formula":"C18H20","All.Compound.Names":"Anthracene, 9-ethyl-9,10-dihydro-9,10-dimethyl-|Dtxsid20880801","logHenry":-3.432,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.04,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.836,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.488,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.4,"MP.Reference":"EPA-CCD-OPERA","MW":236.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54947-86-3"}
{"Compound":"Benzene, 1,2-dimethyl-4-(phenylmethyl)-","CAS":"13540-56-2","CAS.Checksum":true,"DTXSID":"DTXSID20880806","Formula":"C15H16","All.Compound.Names":"Benzene, 1,2-dimethyl-4-(phenylmethyl)-|Dtxsid20880806|4-benzyl-1,2-dimethylbenzene","logHenry":-3.282,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.359,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.078,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.357,"logWSol.Reference":"EPA-CCD-OPERA","MP":28,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13540-56-2"}
{"Compound":"2,2-dimethyl-3-heptene trans","CAS":"19550-75-5","CAS.Checksum":true,"DTXSID":"DTXSID20880821","Formula":"C9H18","All.Compound.Names":"2,2-dimethyl-3-heptene trans|Dtxsid20880821","logHenry":-0.9231,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.204,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4441,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.903,"logWSol.Reference":"EPA-CCD-OPERA","MP":-130.1,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19550-75-5"}
{"Compound":"4'-ethyl-4-biphenylcarboxylic acid","CAS":"5731-13-5","CAS.Checksum":true,"DTXSID":"DTXSID20880826","Formula":"C15H14O2","All.Compound.Names":"4'-ethyl-4-biphenylcarboxylic acid|Dtxsid20880826|5731-13-5","logHenry":-8.665,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.426,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.489,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.196,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.3,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5731-13-5"}
{"Compound":"9,12-octadecadienal","CAS":"26537-70-2","CAS.Checksum":true,"DTXSID":"DTXSID20880841","Formula":"C18H32O","All.Compound.Names":"9,12-octadecadienal|Dtxsid20880841","logHenry":-6.354,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.881,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.991,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.84,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.96,"MP.Reference":"EPA-CCD-OPERA","MW":264.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26537-70-2"}
{"Compound":"7-octylidenebicyclo[4.1.0]heptane","CAS":"82253-11-0","CAS.Checksum":true,"DTXSID":"DTXSID20880846","Formula":"C15H26","All.Compound.Names":"7-octylidenebicyclo[4.1.0]heptane|Dtxsid20880846","logHenry":-3.109,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.802,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7549,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.528,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.36,"MP.Reference":"EPA-CCD-OPERA","MW":206.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82253-11-0"}
{"Compound":"Cyclodecane, octyl-","CAS":"16539-09-6","CAS.Checksum":true,"DTXSID":"DTXSID20880861","Formula":"C18H36","All.Compound.Names":"Cyclodecane, octyl-|Dtxsid20880861","logHenry":-3.558,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.086,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5646,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.206,"logWSol.Reference":"EPA-CCD-OPERA","MP":-93.74,"MP.Reference":"EPA-CCD-OPERA","MW":252.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16539-09-6"}
{"Compound":"2-tridecene, (e)-","CAS":"41446-58-6","CAS.Checksum":true,"DTXSID":"DTXSID20880866","Formula":"C13H26","All.Compound.Names":"2-tridecene, (e)-|Dtxsid20880866","logHenry":-1.938,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.896,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1128,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.53,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.58,"MP.Reference":"EPA-CCD-OPERA","MW":182.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41446-58-6"}
{"Compound":"N,n-dimethyldodecanamide","CAS":"3007-53-2","CAS.Checksum":true,"DTXSID":"DTXSID20880881","Formula":"C14H29NO","All.Compound.Names":"N,n-dimethyldodecanamide|Dtxsid20880881|3007-53-2","logHenry":-7.187,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.375,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.7,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.159,"logWSol.Reference":"EPA-CCD-OPERA","MP":-16.88,"MP.Reference":"EPA-CCD-OPERA","MW":227.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3007-53-2"}
{"Compound":"Ethanone, 1-(2,2-dimethylcyclopentyl)-","CAS":"3664-75-3","CAS.Checksum":true,"DTXSID":"DTXSID20880886","Formula":"C9H16O","All.Compound.Names":"Ethanone, 1-(2,2-dimethylcyclopentyl)-|Dtxsid20880886","logHenry":-4.082,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.104,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.326,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.122,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.318,"MP.Reference":"EPA-CCD-OPERA","MW":140.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3664-75-3"}
{"Compound":"Methyl 2-ethylhexyl phthalate","CAS":"56166-83-7","CAS.Checksum":true,"DTXSID":"DTXSID20880902","Formula":"C17H24O4","All.Compound.Names":"Methyl 2-ethylhexyl phthalate|Dtxsid20880902","logHenry":-6.596,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.882,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.982,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.559,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.93,"MP.Reference":"EPA-CCD-OPERA","MW":292.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56166-83-7"}
{"Compound":"3a,9b-dimethyl-1,2,3a,4,5,9b-hexahydrocyclopenta[a]naphthalen-3-one","CAS":"76803-93-5","CAS.Checksum":true,"DTXSID":"DTXSID20880907","Formula":"C15H18O","All.Compound.Names":"3a,9b-dimethyl-1,2,3a,4,5,9b-hexahydrocyclopenta[a]naphthalen-3-one|Dtxsid20880907","logHenry":-5.026,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.371,"logP.Reference":"EPA-CCD-OPERA","logPwa":4,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.396,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.78,"MP.Reference":"EPA-CCD-OPERA","MW":214.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76803-93-5"}
{"Compound":"Tricyclo[5.2.1.0(2,6)]dec-3-en-10-ol","CAS":"39852-87-4","CAS.Checksum":true,"DTXSID":"DTXSID20880922","Formula":"C10H14O","All.Compound.Names":"Tricyclo[5.2.1.0(2,6)]dec-3-en-10-ol|Dtxsid20880922|39852-87-4","logHenry":-6.215,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.562,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.043,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.164,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.7,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39852-87-4"}
{"Compound":"Cyclopentane, 1-butyl-2-propyl-","CAS":"62199-50-2","CAS.Checksum":true,"DTXSID":"DTXSID20880927","Formula":"C12H24","All.Compound.Names":"Cyclopentane, 1-butyl-2-propyl-|Dtxsid20880927","logHenry":-1.184,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.722,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.02907,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.993,"logWSol.Reference":"EPA-CCD-OPERA","MP":-110.7,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62199-50-2"}
{"Compound":"(-)-beta-bourbonene","CAS":"5208-59-3","CAS.Checksum":true,"DTXSID":"DTXSID20881212","Formula":"C15H24","All.Compound.Names":"(-)-beta-bourbonene|Dtxsid20881212","logHenry":-2.692,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.967,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.595,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.371,"logWSol.Reference":"EPA-CCD-OPERA","MP":7.014,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5208-59-3"}
{"Compound":"(2e)-3,7-dimethylocta-2,6-dienal","CAS":"141-27-5","CAS.Checksum":true,"DTXSID":"DTXSID20881217","Formula":"C10H16O","All.Compound.Names":"(2e)-3,7-dimethylocta-2,6-dienal|Dtxsid20881217","logHenry":-4.257,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.998,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.012,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.061,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.15,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-27-5"}
{"Compound":"Musk","CAS":"123-69-3","CAS.Checksum":true,"DTXSID":"DTXSID20881237","Formula":"C16H28O2","All.Compound.Names":"Musk|Dtxsid20881237","logHenry":-7.734,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.824,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.091,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.414,"logWSol.Reference":"EPA-CCD-OPERA","MP":23.56,"MP.Reference":"EPA-CCD-OPERA","MW":252.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-69-3"}
{"Compound":"(+/-)-ecgonine","CAS":"54808-87-6","CAS.Checksum":true,"DTXSID":"DTXSID20881252","Formula":"C9H15NO3","All.Compound.Names":"(+/-)-ecgonine|Dtxsid20881252|54808-87-6","logHenry":-8.76,"logHenry.Reference":"OPERA29","logP":-0.81,"logP.Reference":"OPERA29","logWSol":-0.02,"logWSol.Reference":"OPERA29","MP":205,"MP.Reference":"OPERA29","MW":185.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.07","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54808-87-6"}
{"Compound":"3-methoxyperfluoro(2-methylpentane)","CAS":"132182-92-4","CAS.Checksum":true,"DTXSID":"DTXSID20881338","Formula":"C7H3F13O","All.Compound.Names":"3-methoxyperfluoro(2-methylpentane)|Dtxsid20881338","logHenry":-1.955,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.39,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.754,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.299,"logWSol.Reference":"EPA-CCD-OPERA","MP":-40.45,"MP.Reference":"EPA-CCD-OPERA","MW":350.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"132182-92-4"}
{"Compound":"3-phenylpropyl phenylacetate","CAS":"122-44-1","CAS.Checksum":true,"DTXSID":"DTXSID30153457","Formula":"C17H18O2","All.Compound.Names":"3-phenylpropyl phenylacetate|Dtxsid30153457","logHenry":-7.731,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.678,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.293,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.225,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.02,"MP.Reference":"EPA-CCD-OPERA","MW":254.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-44-1"}
{"Compound":"2-methyltridecane","CAS":"1560-96-9","CAS.Checksum":true,"DTXSID":"DTXSID30166027","Formula":"C14H30","All.Compound.Names":"2-methyltridecane|Dtxsid30166027","logHenry":-1.728,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.945,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6152,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.16,"logWSol.Reference":"EPA-CCD-OPERA","MP":-37.65,"MP.Reference":"EPA-CCD-OPERA","MW":198.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1560-96-9"}
{"Compound":"2,3,3-trimethylhexane","CAS":"16747-28-7","CAS.Checksum":true,"DTXSID":"DTXSID30168288","Formula":"C9H20","All.Compound.Names":"2,3,3-trimethylhexane|Dtxsid30168288","logHenry":-0.4404,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.637,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.9998,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.184,"logWSol.Reference":"EPA-CCD-OPERA","MP":-107.3,"MP.Reference":"EPA-CCD-OPERA","MW":128.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16747-28-7"}
{"Compound":"3,3-bis(trifluoromethyl)-2-propenoic acid","CAS":"1763-28-6","CAS.Checksum":true,"DTXSID":"DTXSID30170109","Formula":"C5H2F6O2","All.Compound.Names":"3,3-bis(trifluoromethyl)-2-propenoic acid|Dtxsid30170109|1763-28-6","logHenry":-6.171,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.819,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8588,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2086,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.857,"MP.Reference":"EPA-CCD-OPERA","MW":208.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"1763-28-6"}
{"Compound":"Isopentylbenzene","CAS":"2049-94-7","CAS.Checksum":true,"DTXSID":"DTXSID30174465","Formula":"C11H16","All.Compound.Names":"Isopentylbenzene|Dtxsid30174465","logHenry":-2.101,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.388,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6094,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.293,"logWSol.Reference":"EPA-CCD-OPERA","MP":-70.05,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2049-94-7"}
{"Compound":"Allylpentyl ether","CAS":"23186-70-1","CAS.Checksum":true,"DTXSID":"DTXSID30177759","Formula":"C8H16O","All.Compound.Names":"Allylpentyl ether|Dtxsid30177759","logHenry":-2.467,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.468,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.274,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.134,"logWSol.Reference":"EPA-CCD-OPERA","MP":-94.08,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23186-70-1"}
{"Compound":"2,4,6-trimethylheptane","CAS":"2613-61-8","CAS.Checksum":true,"DTXSID":"DTXSID30180763","Formula":"C10H22","All.Compound.Names":"2,4,6-trimethylheptane|Dtxsid30180763","logHenry":-0.6107,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.834,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.9321,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.592,"logWSol.Reference":"EPA-CCD-OPERA","MP":-115.3,"MP.Reference":"EPA-CCD-OPERA","MW":142.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2613-61-8"}
{"Compound":"2-(2-(2-chloroethoxy)ethoxy)ethanol","CAS":"5197-62-6","CAS.Checksum":true,"DTXSID":"DTXSID30199936","Formula":"C6H13ClO3","All.Compound.Names":"2-(2-(2-chloroethoxy)ethoxy)ethanol|Dtxsid30199936|5197-62-6","logHenry":-8.446,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.223,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.516,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9325,"logWSol.Reference":"EPA-CCD-OPERA","MP":-57.55,"MP.Reference":"EPA-CCD-OPERA","MW":168.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.6","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5197-62-6"}
{"Compound":"1,2-dibromo-3-chloropropane","CAS":"96-12-8","CAS.Checksum":true,"DTXSID":"DTXSID3020413","Formula":"C3H5Br2Cl","All.Compound.Names":"1,2-dibromo-3-chloropropane|Dtxsid3020413","logHenry":-3.533,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.959,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.473,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.334,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.899,"MP.Reference":"EPA-CCD-OPERA","MW":236.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-12-8"}
{"Compound":"Dodecylguanidine acetate","CAS":"2439-10-3","CAS.Checksum":true,"DTXSID":"DTXSID3020548","Formula":"C15H33N3O2","All.Compound.Names":"Dodecylguanidine acetate|Dtxsid3020548|2439-10-3","logHenry":-8.457,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.15,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.172,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.609,"logWSol.Reference":"EPA-CCD-OPERA","MP":136,"MP.Reference":"EPA-CCD-OPERA","MW":287.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"13.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2439-10-3"}
{"Compound":"N-methylolacrylamide","CAS":"924-42-5","CAS.Checksum":true,"DTXSID":"DTXSID3020885","Formula":"C4H7NO2","All.Compound.Names":"N-methylolacrylamide|Dtxsid3020885","logHenry":-7.753,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9419,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.36,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.809,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.48,"MP.Reference":"EPA-CCD-OPERA","MW":101.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"924-42-5"}
{"Compound":"O-tolyl benzoate","CAS":"617-02-7","CAS.Checksum":true,"DTXSID":"DTXSID30210695","Formula":"C14H12O2","All.Compound.Names":"O-tolyl benzoate|Dtxsid30210695","logHenry":-7.346,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.381,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.066,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.22,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.06,"MP.Reference":"EPA-CCD-OPERA","MW":212.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"617-02-7"}
{"Compound":"3,9-dodecadiyne","CAS":"61827-89-2","CAS.Checksum":true,"DTXSID":"DTXSID30210817","Formula":"C12H18","All.Compound.Names":"3,9-dodecadiyne|Dtxsid30210817","logHenry":-2.26,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.702,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1671,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.346,"logWSol.Reference":"EPA-CCD-OPERA","MP":-75.25,"MP.Reference":"EPA-CCD-OPERA","MW":162.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61827-89-2"}
{"Compound":"Azorubine","CAS":"3567-69-9","CAS.Checksum":true,"DTXSID":"DTXSID3021225","Formula":"C20H12N2Na2O7S2","All.Compound.Names":"Azorubine|Dtxsid3021225|3567-69-9","logHenry":-10.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.754,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.655,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.557,"logWSol.Reference":"EPA-CCD-OPERA","MP":233.1,"MP.Reference":"EPA-CCD-OPERA","MW":502.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3567-69-9"}
{"Compound":"C.i. pigment red 53","CAS":"5160-02-1","CAS.Checksum":true,"DTXSID":"DTXSID3021229","Formula":"C34H24BaCl2N4O8S2","All.Compound.Names":"C.i. pigment red 53|Dtxsid3021229","logHenry":-7.815,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.08,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.49,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.562,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.6,"MP.Reference":"EPA-CCD-OPERA","MW":888.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5160-02-1"}
{"Compound":"Diethyl ether","CAS":"60-29-7","CAS.Checksum":true,"DTXSID":"DTXSID3021720","Formula":"C4H10O","All.Compound.Names":"Diethyl ether|Dtxsid3021720","logHenry":-2.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8909,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.345,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.09469,"logWSol.Reference":"EPA-CCD-OPERA","MP":-116.3,"MP.Reference":"EPA-CCD-OPERA","MW":74.12,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60-29-7"}
{"Compound":"N,n-dibutylformamide","CAS":"761-65-9","CAS.Checksum":true,"DTXSID":"DTXSID3022114","Formula":"C9H19NO","All.Compound.Names":"N,n-dibutylformamide|Dtxsid3022114|761-65-9","logHenry":-3.998,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.718,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.072,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.062,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.71,"MP.Reference":"EPA-CCD-OPERA","MW":157.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"761-65-9"}
{"Compound":"Methane, dichloronitro-","CAS":"7119-89-3","CAS.Checksum":true,"DTXSID":"DTXSID30221387","Formula":"CHCl2NO2","All.Compound.Names":"Methane, dichloronitro-|Dtxsid30221387","logHenry":-4.001,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5788,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.121,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.455,"logWSol.Reference":"EPA-CCD-OPERA","MP":-33.16,"MP.Reference":"EPA-CCD-OPERA","MW":129.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7119-89-3"}
{"Compound":"P-(tert-butyl)benzamide","CAS":"56108-12-4","CAS.Checksum":true,"DTXSID":"DTXSID3022295","Formula":"C11H15NO","All.Compound.Names":"P-(tert-butyl)benzamide|Dtxsid3022295|56108-12-4","logHenry":-7.701,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.508,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.697,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.909,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.3,"MP.Reference":"EPA-CCD-OPERA","MW":177.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.13","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56108-12-4"}
{"Compound":"1-hexacosanol","CAS":"506-52-5","CAS.Checksum":true,"DTXSID":"DTXSID3027162","Formula":"C26H54O","All.Compound.Names":"1-hexacosanol|Dtxsid3027162|506-52-5","logHenry":-7.246,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.29,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.071,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.702,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.02,"MP.Reference":"EPA-CCD-OPERA","MW":382.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.42","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"506-52-5"}
{"Compound":"2,2'-oxybis-1-propanol","CAS":"108-61-2","CAS.Checksum":true,"DTXSID":"DTXSID30274176","Formula":"C6H14O3","All.Compound.Names":"2,2'-oxybis-1-propanol|Dtxsid30274176|108-61-2","logHenry":-8.527,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6693,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.072,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8025,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.306,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-61-2"}
{"Compound":"Pentacarbonyl iron","CAS":"13463-40-6","CAS.Checksum":true,"DTXSID":"DTXSID3027746","Formula":"C5FeO5","All.Compound.Names":"Pentacarbonyl iron|Dtxsid3027746|13463-40-6","logHenry":-3.722,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.793,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.231,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3284,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.3,"MP.Reference":"EPA-CCD-OPERA","MW":195.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13463-40-6"}
{"Compound":"Microcystin lr","CAS":"101043-37-2","CAS.Checksum":true,"DTXSID":"DTXSID3031654","Formula":"C49H74N10O12","All.Compound.Names":"Microcystin lr|Dtxsid3031654|101043-37-2","logHenry":-11.89,"logHenry.Reference":"OPERA29","logP":3.14,"logP.Reference":"OPERA29","logWSol":-2.99,"logWSol.Reference":"OPERA29","MP":257,"MP.Reference":"OPERA29","MW":995.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101043-37-2"}
{"Compound":"3,3',4,4',5-pentachlorobiphenyl","CAS":"57465-28-8","CAS.Checksum":true,"DTXSID":"DTXSID3032179","Formula":"C12H5Cl5","All.Compound.Names":"3,3',4,4',5-pentachlorobiphenyl|Dtxsid3032179","logHenry":-4.226,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.563,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.583,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.557,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.89,"MP.Reference":"EPA-CCD-OPERA","MW":326.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57465-28-8"}
{"Compound":"Kinoprene","CAS":"42588-37-4","CAS.Checksum":true,"DTXSID":"DTXSID3032624","Formula":"C18H28O2","All.Compound.Names":"Kinoprene|Dtxsid3032624","logHenry":-6.018,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.818,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.597,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.422,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.34,"MP.Reference":"EPA-CCD-OPERA","MW":276.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42588-37-4"}
{"Compound":"Phenylmethanimine","CAS":"16118-22-2","CAS.Checksum":true,"DTXSID":"DTXSID30330241","Formula":"C7H7N","All.Compound.Names":"Phenylmethanimine|Dtxsid30330241|16118-22-2","logHenry":-6.128,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.891,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.381,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.855,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.53,"MP.Reference":"EPA-CCD-OPERA","MW":105.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16118-22-2"}
{"Compound":"P-menth-2-ene","CAS":"5256-65-5","CAS.Checksum":true,"DTXSID":"DTXSID30333757","Formula":"C10H18","All.Compound.Names":"P-menth-2-ene|Dtxsid30333757","logHenry":-1.223,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.551,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.0135,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.091,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.05,"MP.Reference":"EPA-CCD-OPERA","MW":138.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5256-65-5"}
{"Compound":"3,7-dimethylundecane","CAS":"17301-29-0","CAS.Checksum":true,"DTXSID":"DTXSID30333994","Formula":"C13H28","All.Compound.Names":"3,7-dimethylundecane|Dtxsid30333994","logHenry":-0.8379,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.507,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6333,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.864,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.77,"MP.Reference":"EPA-CCD-OPERA","MW":184.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17301-29-0"}
{"Compound":"2,5,9-trimethyldecane","CAS":"62108-22-9","CAS.Checksum":true,"DTXSID":"DTXSID30334825","Formula":"C13H28","All.Compound.Names":"2,5,9-trimethyldecane|Dtxsid30334825","logHenry":-0.8348,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.444,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.9319,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.876,"logWSol.Reference":"EPA-CCD-OPERA","MP":-115.2,"MP.Reference":"EPA-CCD-OPERA","MW":184.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62108-22-9"}
{"Compound":"Cyclopentaneundecanoic acid, methyl ester","CAS":"25779-85-5","CAS.Checksum":true,"DTXSID":"DTXSID30336627","Formula":"C17H32O2","All.Compound.Names":"Cyclopentaneundecanoic acid, methyl ester|Dtxsid30336627","logHenry":-6.6,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.773,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.845,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.047,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.277,"MP.Reference":"EPA-CCD-OPERA","MW":268.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25779-85-5"}
{"Compound":"1-methyl-9-(1-methylethylidene)bicyclo[3.3.1]nonan-2-one","CAS":"56630-95-6","CAS.Checksum":true,"DTXSID":"DTXSID30336723","Formula":"C13H20O","All.Compound.Names":"1-methyl-9-(1-methylethylidene)bicyclo[3.3.1]nonan-2-one|Dtxsid30336723","logHenry":-3.504,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.785,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.045,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.457,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.62,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56630-95-6"}
{"Compound":"2,4,6-trimethyloctane","CAS":"62016-37-9","CAS.Checksum":true,"DTXSID":"DTXSID30337937","Formula":"C11H24","All.Compound.Names":"2,4,6-trimethyloctane|Dtxsid30337937","logHenry":-0.8081,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.235,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8102,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.432,"logWSol.Reference":"EPA-CCD-OPERA","MP":-115.1,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62016-37-9"}
{"Compound":"2,4-diethyl-6-methyl-1,3,5-trioxane","CAS":"117888-04-7","CAS.Checksum":true,"DTXSID":"DTXSID30338242","Formula":"C8H16O3","All.Compound.Names":"2,4-diethyl-6-methyl-1,3,5-trioxane|Dtxsid30338242","logHenry":-4.594,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.122,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.327,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.594,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.57,"MP.Reference":"EPA-CCD-OPERA","MW":160.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"117888-04-7"}
{"Compound":"Benzene, (5-iodopentyl)-","CAS":"99858-37-4","CAS.Checksum":true,"DTXSID":"DTXSID30340062","Formula":"C11H15I","All.Compound.Names":"Benzene, (5-iodopentyl)-|Dtxsid30340062","logHenry":-3.276,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.088,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.166,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.795,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.476,"MP.Reference":"EPA-CCD-OPERA","MW":274.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99858-37-4"}
{"Compound":"4-phenyl-1-pentene","CAS":"10340-49-5","CAS.Checksum":true,"DTXSID":"DTXSID30341059","Formula":"C11H14","All.Compound.Names":"4-phenyl-1-pentene|Dtxsid30341059","logHenry":-2.098,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.374,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.4851,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.969,"logWSol.Reference":"EPA-CCD-OPERA","MP":-66,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10340-49-5"}
{"Compound":"Paraquat","CAS":"4685-14-7","CAS.Checksum":true,"DTXSID":"DTXSID3034799","Formula":"C12H14N2","All.Compound.Names":"Paraquat|Dtxsid3034799|4685-14-7","logHenry":-3.715,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.242,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.19,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4415,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.9,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4685-14-7"}
{"Compound":"4'-chloroacetoacetanilide","CAS":"101-92-8","CAS.Checksum":true,"DTXSID":"DTXSID3036654","Formula":"C10H10ClNO2","All.Compound.Names":"4'-chloroacetoacetanilide|Dtxsid3036654|101-92-8","logHenry":-9.265,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.408,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.285,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.075,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.5,"MP.Reference":"EPA-CCD-OPERA","MW":211.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-92-8"}
{"Compound":"Pyrithiobac","CAS":"123342-93-8","CAS.Checksum":true,"DTXSID":"DTXSID3037703","Formula":"C13H11ClN2O4S","All.Compound.Names":"Pyrithiobac|Dtxsid3037703|123342-93-8","logHenry":-9.302,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.638,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.05,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3135,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.6,"MP.Reference":"EPA-CCD-OPERA","MW":326.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123342-93-8"}
{"Compound":"2,2-difluoroethyl triflate","CAS":"74427-22-8","CAS.Checksum":true,"DTXSID":"DTXSID30378880","Formula":"C3H3F5O3S","All.Compound.Names":"2,2-difluoroethyl triflate|Dtxsid30378880","logHenry":-2.32,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.919,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3508,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3584,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.14,"MP.Reference":"EPA-CCD-OPERA","MW":214.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74427-22-8"}
{"Compound":"Perfluoro-3,6-dioxaheptanoic acid","CAS":"151772-58-6","CAS.Checksum":true,"DTXSID":"DTXSID30382063","Formula":"C5HF9O4","All.Compound.Names":"Perfluoro-3,6-dioxaheptanoic acid|Dtxsid30382063|151772-58-6","logHenry":-9.976,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.845,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.953,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.826,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.04,"MP.Reference":"EPA-CCD-OPERA","MW":296,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"151772-58-6"}
{"Compound":"9-chloro-perfluorononanoic acid","CAS":"865-79-2","CAS.Checksum":true,"DTXSID":"DTXSID30382104","Formula":"C9HClF16O2","All.Compound.Names":"9-chloro-perfluorononanoic acid|Dtxsid30382104|865-79-2","logHenry":-8.941,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.326,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.59,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.933,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.17,"MP.Reference":"EPA-CCD-OPERA","MW":480.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"865-79-2"}
{"Compound":"Octadecyl isocyanate","CAS":"112-96-9","CAS.Checksum":true,"DTXSID":"DTXSID3038727","Formula":"C19H37NO","All.Compound.Names":"Octadecyl isocyanate|Dtxsid3038727|112-96-9","logHenry":-6.047,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.449,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5054,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.961,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.88,"MP.Reference":"EPA-CCD-OPERA","MW":295.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-96-9"}
{"Compound":"Tris(trifluoroethoxy)methane","CAS":"58244-27-2","CAS.Checksum":true,"DTXSID":"DTXSID30395037","Formula":"C7H7F9O3","All.Compound.Names":"Tris(trifluoroethoxy)methane|Dtxsid30395037","logHenry":-3.015,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.114,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.452,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.08,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.777,"MP.Reference":"EPA-CCD-OPERA","MW":310.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58244-27-2"}
{"Compound":"1,3-dioxolane-2-acetic acid, 2-methyl-, ethyl ester","CAS":"6413-10-1","CAS.Checksum":true,"DTXSID":"DTXSID3041241","Formula":"C8H14O4","All.Compound.Names":"1,3-dioxolane-2-acetic acid, 2-methyl-, ethyl ester|Dtxsid3041241","logHenry":-5.724,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8559,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.98,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3173,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.264,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6413-10-1"}
{"Compound":"7-acetyl-6-ethyl-1,1,4,4-tetramethyltetralin","CAS":"88-29-9","CAS.Checksum":true,"DTXSID":"DTXSID3041582","Formula":"C18H26O","All.Compound.Names":"7-acetyl-6-ethyl-1,1,4,4-tetramethyltetralin|Dtxsid3041582","logHenry":-4.333,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.568,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.059,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.255,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.09,"MP.Reference":"EPA-CCD-OPERA","MW":258.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"88-29-9"}
{"Compound":"Isopropyl laurate","CAS":"10233-13-3","CAS.Checksum":true,"DTXSID":"DTXSID3041904","Formula":"C15H30O2","All.Compound.Names":"Isopropyl laurate|Dtxsid3041904","logHenry":-5.193,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.244,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.197,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.496,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.04492,"MP.Reference":"EPA-CCD-OPERA","MW":242.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10233-13-3"}
{"Compound":"Propyl (2s)-2-hydroxypropanoate","CAS":"53651-69-7","CAS.Checksum":true,"DTXSID":"DTXSID3042344","Formula":"C6H12O3","All.Compound.Names":"Propyl (2s)-2-hydroxypropanoate|Dtxsid3042344|53651-69-7","logHenry":-6.078,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4389,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.233,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3004,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.4,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53651-69-7"}
{"Compound":"(+)-alpha-funebrene","CAS":"50894-66-1","CAS.Checksum":true,"DTXSID":"DTXSID30424912","Formula":"C15H24","All.Compound.Names":"(+)-alpha-funebrene|Dtxsid30424912","logHenry":-2.275,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.924,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.756,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.368,"logWSol.Reference":"EPA-CCD-OPERA","MP":261.9,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50894-66-1"}
{"Compound":"Stigmastane","CAS":"601-58-1","CAS.Checksum":true,"DTXSID":"DTXSID30425883","Formula":"C29H52","All.Compound.Names":"Stigmastane|Dtxsid30425883","logHenry":-6.43,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.347,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.399,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.011,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.76,"MP.Reference":"EPA-CCD-OPERA","MW":400.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"601-58-1"}
{"Compound":"Dl-methamphetamine","CAS":"7632-10-2","CAS.Checksum":true,"DTXSID":"DTXSID3043861","Formula":"C10H15N","All.Compound.Names":"Dl-methamphetamine|Dtxsid3043861|7632-10-2","logHenry":-5.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.072,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.12,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.495,"logWSol.Reference":"EPA-CCD-OPERA","MP":-24.38,"MP.Reference":"EPA-CCD-OPERA","MW":149.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.97","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7632-10-2"}
{"Compound":"Quetiapine fumarate","CAS":"111974-72-2","CAS.Checksum":true,"DTXSID":"DTXSID3044201","Formula":"C46H54N6O8S2","All.Compound.Names":"Quetiapine fumarate|Dtxsid3044201|111974-72-2","logHenry":-9.772,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6632,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.691,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.403,"logWSol.Reference":"EPA-CCD-OPERA","MP":168,"MP.Reference":"EPA-CCD-OPERA","MW":883.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111974-72-2"}
{"Compound":"Losartan potassium","CAS":"124750-99-8","CAS.Checksum":true,"DTXSID":"DTXSID3044209","Formula":"C22H22ClKN6O","All.Compound.Names":"Losartan potassium|Dtxsid3044209|124750-99-8","logHenry":-7.011,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.912,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.706,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.069,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.8,"MP.Reference":"EPA-CCD-OPERA","MW":461,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124750-99-8"}
{"Compound":"3-hexen-1-ol","CAS":"544-12-7","CAS.Checksum":true,"DTXSID":"DTXSID3047217","Formula":"C6H12O","All.Compound.Names":"3-hexen-1-ol|Dtxsid3047217|544-12-7","logHenry":-5.114,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.197,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.452,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5889,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.59,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.6","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"544-12-7"}
{"Compound":"1,4-cineole","CAS":"470-67-7","CAS.Checksum":true,"DTXSID":"DTXSID3047396","Formula":"C10H18O","All.Compound.Names":"1,4-cineole|Dtxsid3047396","logHenry":-2.583,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.97,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.462,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.946,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.079,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"470-67-7"}
{"Compound":"Copper omadine","CAS":"14915-37-8","CAS.Checksum":true,"DTXSID":"DTXSID3047398","Formula":"C10H8CuN2O2S2","All.Compound.Names":"Copper omadine|Copper(ii) pyrithione|14915-37-8","logHenry":-7.6,"logHenry.Reference":"OPERA29","logP":0.58,"logP.Reference":"OPERA29","logWSol":-1.1,"logWSol.Reference":"OPERA29","MP":158,"MP.Reference":"OPERA29","MW":315.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14915-37-8"}
{"Compound":"1,2,3-trichloropropene","CAS":"96-19-5","CAS.Checksum":true,"DTXSID":"DTXSID3047766","Formula":"C3H3Cl3","All.Compound.Names":"1,2,3-trichloropropene|Dtxsid3047766","logHenry":-3.257,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.666,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.816,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.881,"logWSol.Reference":"EPA-CCD-OPERA","MP":-30.35,"MP.Reference":"EPA-CCD-OPERA","MW":145.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-19-5"}
{"Compound":"N-[(3r)-1-(2-fluorophenyl)-4-oxo-3,4,6,7-tetrahydro[1,4]diazepino[6,7,1-hi]indol-3-yl]-1h-indole-2-carboxamide","CAS":"167820-10-2","CAS.Checksum":true,"DTXSID":"DTXSID3048786","Formula":"C26H19FN4O2","All.Compound.Names":"N-[(3r)-1-(2-fluorophenyl)-4-oxo-3,4,6,7-tetrahydro[1,4]diazepino[6,7,1-hi]indol-3-yl]-1h-indole-2-carboxamide|Dtxsid3048786|167820-10-2","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.512,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.189,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.413,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.2,"MP.Reference":"EPA-CCD-OPERA","MW":438.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.04","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.49","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"167820-10-2"}
{"Compound":"9-ethyl-10-methylanthracene","CAS":"19713-49-6","CAS.Checksum":true,"DTXSID":"DTXSID30491982","Formula":"C17H16","All.Compound.Names":"9-ethyl-10-methylanthracene|Dtxsid30491982","logHenry":-4.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.352,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.748,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.799,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.4,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19713-49-6"}
{"Compound":"Di-p-methylbenzylidenesorbitol","CAS":"81541-12-0","CAS.Checksum":true,"DTXSID":"DTXSID3051381","Formula":"C22H26O6","All.Compound.Names":"Di-p-methylbenzylidenesorbitol|Dtxsid3051381|81541-12-0","logHenry":-9.941,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.907,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.576,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.402,"logWSol.Reference":"EPA-CCD-OPERA","MP":232.8,"MP.Reference":"EPA-CCD-OPERA","MW":386.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81541-12-0"}
{"Compound":"Heptadecan-1-ol","CAS":"1454-85-9","CAS.Checksum":true,"DTXSID":"DTXSID3051460","Formula":"C17H36O","All.Compound.Names":"Heptadecan-1-ol|Dtxsid3051460|1454-85-9","logHenry":-5.203,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.567,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.547,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.5,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.86,"MP.Reference":"EPA-CCD-OPERA","MW":256.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1454-85-9"}
{"Compound":"Diethyl disulphide","CAS":"110-81-6","CAS.Checksum":true,"DTXSID":"DTXSID3051464","Formula":"C4H10S2","All.Compound.Names":"Diethyl disulphide|Dtxsid3051464","logHenry":-2.668,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.692,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.749,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.545,"logWSol.Reference":"EPA-CCD-OPERA","MP":-100.9,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-81-6"}
{"Compound":"2,2,4,6,6-pentamethylhept-3-ene","CAS":"123-48-8","CAS.Checksum":true,"DTXSID":"DTXSID3051628","Formula":"C12H24","All.Compound.Names":"2,2,4,6,6-pentamethylhept-3-ene|Dtxsid3051628","logHenry":-0.9486,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.004,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5511,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.638,"logWSol.Reference":"EPA-CCD-OPERA","MP":-107.3,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-48-8"}
{"Compound":"Pulegone","CAS":"15932-80-6","CAS.Checksum":true,"DTXSID":"DTXSID3051757","Formula":"C10H16O","All.Compound.Names":"Pulegone|Dtxsid3051757","logHenry":-3.463,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.077,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.004,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.997,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.04,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15932-80-6"}
{"Compound":"1-isobutoxypropan-2-ol","CAS":"23436-19-3","CAS.Checksum":true,"DTXSID":"DTXSID3051888","Formula":"C7H16O2","All.Compound.Names":"1-isobutoxypropan-2-ol|Dtxsid3051888|23436-19-3","logHenry":-5.818,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9704,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.936,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3532,"logWSol.Reference":"EPA-CCD-OPERA","MP":-43.49,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.58","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23436-19-3"}
{"Compound":"(z)-3,7-dimethylocta-1,3,6,-triene","CAS":"3338-55-4","CAS.Checksum":true,"DTXSID":"DTXSID3052018","Formula":"C10H16","All.Compound.Names":"(z)-3,7-dimethylocta-1,3,6,-triene|Dtxsid3052018","logHenry":-1.457,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.302,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1648,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.825,"logWSol.Reference":"EPA-CCD-OPERA","MP":-57.38,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3338-55-4"}
{"Compound":"Endo-borneol","CAS":"507-70-0","CAS.Checksum":true,"DTXSID":"DTXSID3052143","Formula":"C10H18O","All.Compound.Names":"Endo-borneol|Dtxsid3052143|507-70-0","logHenry":-5.045,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.111,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.464,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.32,"logWSol.Reference":"EPA-CCD-OPERA","MP":208.7,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"507-70-0"}
{"Compound":"2-amino-6-hydroxy-1h-pyrimidin-4-one","CAS":"56-09-7","CAS.Checksum":true,"DTXSID":"DTXSID3052222","Formula":"C4H5N3O2","All.Compound.Names":"2-amino-6-hydroxy-1h-pyrimidin-4-one|Dtxsid3052222|2-amino-6-hydroxy-4(3h)-pyrimidinone|56-09-7","logHenry":-11.9,"logHenry.Reference":"OPERA29","logP":-0.56,"logP.Reference":"OPERA29","logWSol":-1.31,"logWSol.Reference":"OPERA29","MP":249,"MP.Reference":"OPERA29","MW":127.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.16","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56-09-7"}
{"Compound":"3-iodophenol","CAS":"626-02-8","CAS.Checksum":true,"DTXSID":"DTXSID3052305","Formula":"C6H5IO","All.Compound.Names":"3-iodophenol|Dtxsid3052305|626-02-8","logHenry":-6.643,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.93,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.666,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.665,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.76,"MP.Reference":"EPA-CCD-OPERA","MW":220,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"626-02-8"}
{"Compound":"Ethyl 2-methylbutyrate","CAS":"7452-79-1","CAS.Checksum":true,"DTXSID":"DTXSID3052488","Formula":"C7H14O2","All.Compound.Names":"Ethyl 2-methylbutyrate|Dtxsid3052488","logHenry":-3.412,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.199,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.688,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.866,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.57,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7452-79-1"}
{"Compound":"Monoethyl phthalate","CAS":"2306-33-4","CAS.Checksum":true,"DTXSID":"DTXSID3052696","Formula":"C10H10O4","All.Compound.Names":"Monoethyl phthalate|Dtxsid3052696|2306-33-4","logHenry":-8.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.743,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.778,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.912,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.1,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2306-33-4"}
{"Compound":"Oxoacetic acid--water (1/1)","CAS":"563-96-2","CAS.Checksum":true,"DTXSID":"DTXSID30575892","Formula":"C2H4O4","All.Compound.Names":"Oxoacetic acid--water (1/1)|Dtxsid30575892|563-96-2","logHenry":-7.5,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5396,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.204,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.6185,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.8,"MP.Reference":"EPA-CCD-OPERA","MW":92.05,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"563-96-2"}
{"Compound":"Octaethylene glycol","CAS":"5117-19-1","CAS.Checksum":true,"DTXSID":"DTXSID3058618","Formula":"C16H34O9","All.Compound.Names":"Octaethylene glycol|Dtxsid3058618|5117-19-1","logHenry":-9.835,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1435,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.486,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.35,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.03,"MP.Reference":"EPA-CCD-OPERA","MW":370.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.57","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5117-19-1"}
{"Compound":"Tetradecamethylhexasiloxane","CAS":"107-52-8","CAS.Checksum":true,"DTXSID":"DTXSID3059349","Formula":"C14H42O5Si6","All.Compound.Names":"Tetradecamethylhexasiloxane|Dtxsid3059349","logHenry":0.9469,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.921,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.812,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.182,"logWSol.Reference":"EPA-CCD-OPERA","MP":-58.99,"MP.Reference":"EPA-CCD-OPERA","MW":459,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107-52-8"}
{"Compound":"Hexadecanoic acid, butyl ester","CAS":"111-06-8","CAS.Checksum":true,"DTXSID":"DTXSID3059395","Formula":"C20H40O2","All.Compound.Names":"Hexadecanoic acid, butyl ester|Dtxsid3059395","logHenry":-6.571,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.181,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7335,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.189,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.31,"MP.Reference":"EPA-CCD-OPERA","MW":312.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-06-8"}
{"Compound":"Perfluorotetradecanoic acid","CAS":"376-06-7","CAS.Checksum":true,"DTXSID":"DTXSID3059921","Formula":"C14HF27O2","All.Compound.Names":"Perfluorotetradecanoic acid|Dtxsid3059921|376-06-7","logHenry":-9.45,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.1,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6542,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.488,"logWSol.Reference":"EPA-CCD-OPERA","MP":130,"MP.Reference":"EPA-CCD-OPERA","MW":714.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"376-06-7"}
{"Compound":"Hexafluoroamylene glycol","CAS":"376-90-9","CAS.Checksum":true,"DTXSID":"DTXSID3059927","Formula":"C5H6F6O2","All.Compound.Names":"Hexafluoroamylene glycol|Dtxsid3059927|376-90-9","logHenry":-8.835,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8924,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.01,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8335,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.45,"MP.Reference":"EPA-CCD-OPERA","MW":212.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"376-90-9"}
{"Compound":"1-bromoheptafluoropropane","CAS":"422-85-5","CAS.Checksum":true,"DTXSID":"DTXSID3059971","Formula":"C3BrF7","All.Compound.Names":"1-bromoheptafluoropropane|Dtxsid3059971","logHenry":-0.8923,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.993,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.229,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.981,"logWSol.Reference":"EPA-CCD-OPERA","MP":-106.9,"MP.Reference":"EPA-CCD-OPERA","MW":248.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"422-85-5"}
{"Compound":"Heptylbenzene","CAS":"1078-71-3","CAS.Checksum":true,"DTXSID":"DTXSID3061477","Formula":"C13H20","All.Compound.Names":"Heptylbenzene|Dtxsid3061477","logHenry":-2.403,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.372,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7312,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.597,"logWSol.Reference":"EPA-CCD-OPERA","MP":-47.44,"MP.Reference":"EPA-CCD-OPERA","MW":176.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1078-71-3"}
{"Compound":"C.i. solvent red 1","CAS":"1229-55-6","CAS.Checksum":true,"DTXSID":"DTXSID3061635","Formula":"C17H14N2O2","All.Compound.Names":"C.i. solvent red 1|Dtxsid3061635|1229-55-6","logHenry":-8.898,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.637,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.545,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.921,"logWSol.Reference":"EPA-CCD-OPERA","MP":182.9,"MP.Reference":"EPA-CCD-OPERA","MW":278.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1229-55-6"}
{"Compound":"Methyl undecanoate","CAS":"1731-86-8","CAS.Checksum":true,"DTXSID":"DTXSID3061922","Formula":"C12H24O2","All.Compound.Names":"Methyl undecanoate|Dtxsid3061922","logHenry":-3.803,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.77,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.305,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.312,"logWSol.Reference":"EPA-CCD-OPERA","MP":-34,"MP.Reference":"EPA-CCD-OPERA","MW":200.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1731-86-8"}
{"Compound":"Cyclohexane, octyl-","CAS":"1795-15-9","CAS.Checksum":true,"DTXSID":"DTXSID3061972","Formula":"C14H28","All.Compound.Names":"Cyclohexane, octyl-|Dtxsid3061972","logHenry":-1.954,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.917,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.01338,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.846,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.5,"MP.Reference":"EPA-CCD-OPERA","MW":196.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1795-15-9"}
{"Compound":"((perfluorooctyl)ethyl)phosphonic acid","CAS":"80220-63-9","CAS.Checksum":true,"DTXSID":"DTXSID30627108","Formula":"C10H6F17O3P","All.Compound.Names":"((perfluorooctyl)ethyl)phosphonic acid|Dtxsid30627108|80220-63-9","logHenry":-10.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.001,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.935,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.346,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.8,"MP.Reference":"EPA-CCD-OPERA","MW":528.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"80220-63-9"}
{"Compound":"1,5-cyclooctadiene, 1,5-dimethyl-","CAS":"3760-14-3","CAS.Checksum":true,"DTXSID":"DTXSID3063172","Formula":"C10H16","All.Compound.Names":"1,5-cyclooctadiene, 1,5-dimethyl-|Dtxsid3063172","logHenry":-1.644,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.493,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2531,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.177,"logWSol.Reference":"EPA-CCD-OPERA","MP":-87.75,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3760-14-3"}
{"Compound":"Ethylene glycol monoisobutyl ether","CAS":"4439-24-1","CAS.Checksum":true,"DTXSID":"DTXSID3063469","Formula":"C6H14O2","All.Compound.Names":"Ethylene glycol monoisobutyl ether|Dtxsid3063469|4439-24-1","logHenry":-6.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7487,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.017,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4058,"logWSol.Reference":"EPA-CCD-OPERA","MP":-26.84,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4439-24-1"}
{"Compound":"Allyl salicylate","CAS":"10484-09-0","CAS.Checksum":true,"DTXSID":"DTXSID3065089","Formula":"C10H10O3","All.Compound.Names":"Allyl salicylate|Dtxsid3065089|10484-09-0","logHenry":-8.229,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.037,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.683,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.048,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.08,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10484-09-0"}
{"Compound":"2,2,3,3,4,4,4-heptafluorobutyl methacrylate","CAS":"13695-31-3","CAS.Checksum":true,"DTXSID":"DTXSID3065586","Formula":"C8H7F7O2","All.Compound.Names":"2,2,3,3,4,4,4-heptafluorobutyl methacrylate|Dtxsid3065586|(perfluoropropyl)methyl methacrylate","logHenry":-4.369,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.402,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8332,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.253,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.03,"MP.Reference":"EPA-CCD-OPERA","MW":268.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"13695-31-3"}
{"Compound":"(heptafluorobutanoyl)pivaloylmethane","CAS":"17587-22-3","CAS.Checksum":true,"DTXSID":"DTXSID3066215","Formula":"C10H11F7O2","All.Compound.Names":"(heptafluorobutanoyl)pivaloylmethane|Dtxsid3066215","logHenry":-7.48,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.976,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5252,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.593,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.02,"MP.Reference":"EPA-CCD-OPERA","MW":296.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"17587-22-3"}
{"Compound":"Cyclohexanol, 1-methyl-4-(1-methylethyl)-","CAS":"21129-27-1","CAS.Checksum":true,"DTXSID":"DTXSID3066681","Formula":"C10H20O","All.Compound.Names":"Cyclohexanol, 1-methyl-4-(1-methylethyl)-|Dtxsid3066681|21129-27-1","logHenry":-4.577,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.172,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.538,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.671,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.71,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21129-27-1"}
{"Compound":"Heptadecane, 2-methyl-","CAS":"1560-89-0","CAS.Checksum":true,"DTXSID":"DTXSID3073266","Formula":"C18H38","All.Compound.Names":"Heptadecane, 2-methyl-|Dtxsid3073266","logHenry":-4.458,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.231,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.816,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.08,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.652,"MP.Reference":"EPA-CCD-OPERA","MW":254.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1560-89-0"}
{"Compound":"1-methylanthracene","CAS":"610-48-0","CAS.Checksum":true,"DTXSID":"DTXSID3074787","Formula":"C15H12","All.Compound.Names":"1-methylanthracene|Dtxsid3074787","logHenry":-4.439,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.077,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.337,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.051,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.3,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"610-48-0"}
{"Compound":"Triton x-100.2","CAS":"2315-61-9","CAS.Checksum":true,"DTXSID":"DTXSID3075044","Formula":"C18H30O3","All.Compound.Names":"Triton x-100.2|Dtxsid3075044|2315-61-9","logHenry":-8.219,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.211,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.395,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.84,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.86,"MP.Reference":"EPA-CCD-OPERA","MW":294.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2315-61-9"}
{"Compound":"11h-benzo[a]fluorene","CAS":"238-84-6","CAS.Checksum":true,"DTXSID":"DTXSID3075204","Formula":"C17H12","All.Compound.Names":"11h-benzo[a]fluorene|Dtxsid3075204","logHenry":-4.575,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.538,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.342,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.676,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.2,"MP.Reference":"EPA-CCD-OPERA","MW":216.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"238-84-6"}
{"Compound":"Alpha-humalene","CAS":"6753-98-6","CAS.Checksum":true,"DTXSID":"DTXSID30858793","Formula":"C15H24","All.Compound.Names":"Alpha-humalene|Dtxsid30858793|Alpha-humulene","logHenry":-2.007,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.74,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.166,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.924,"logWSol.Reference":"EPA-CCD-OPERA","MP":-80.14,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6753-98-6"}
{"Compound":"1-propanol, 2-(2-hydroxypropoxy)-","CAS":"106-62-7","CAS.Checksum":true,"DTXSID":"DTXSID30861722","Formula":"C6H14O3","All.Compound.Names":"1-propanol, 2-(2-hydroxypropoxy)-|Dtxsid30861722|106-62-7","logHenry":-8.527,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6693,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.072,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8701,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.64,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-62-7"}
{"Compound":"3,4-dimethylhexane","CAS":"583-48-2","CAS.Checksum":true,"DTXSID":"DTXSID30862234","Formula":"C8H18","All.Compound.Names":"3,4-dimethylhexane|Dtxsid30862234","logHenry":-0.4236,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.508,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.01518,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.933,"logWSol.Reference":"EPA-CCD-OPERA","MP":-103.6,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"583-48-2"}
{"Compound":"3-methyloctane","CAS":"2216-33-3","CAS.Checksum":true,"DTXSID":"DTXSID30862875","Formula":"C9H20","All.Compound.Names":"3-methyloctane|Dtxsid30862875","logHenry":-0.5975,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.284,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.445,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.582,"logWSol.Reference":"EPA-CCD-OPERA","MP":-103.9,"MP.Reference":"EPA-CCD-OPERA","MW":128.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2216-33-3"}
{"Compound":"2-butenoic acid, butyl ester","CAS":"7299-91-4","CAS.Checksum":true,"DTXSID":"DTXSID30864036","Formula":"C8H14O2","All.Compound.Names":"2-butenoic acid, butyl ester|Dtxsid30864036","logHenry":-3.366,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.571,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.927,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.958,"logWSol.Reference":"EPA-CCD-OPERA","MP":-66.83,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7299-91-4"}
{"Compound":"Pentane, 2,2,3,4-tetramethyl-","CAS":"1186-53-4","CAS.Checksum":true,"DTXSID":"DTXSID30870854","Formula":"C9H20","All.Compound.Names":"Pentane, 2,2,3,4-tetramethyl-|Dtxsid30870854","logHenry":-0.4389,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.044,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4494,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.191,"logWSol.Reference":"EPA-CCD-OPERA","MP":-107.4,"MP.Reference":"EPA-CCD-OPERA","MW":128.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1186-53-4"}
{"Compound":"2-pentadecanol","CAS":"1653-34-5","CAS.Checksum":true,"DTXSID":"DTXSID30870899","Formula":"C15H32O","All.Compound.Names":"2-pentadecanol|Dtxsid30870899|1653-34-5","logHenry":-4.675,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.435,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.048,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.942,"logWSol.Reference":"EPA-CCD-OPERA","MP":36.74,"MP.Reference":"EPA-CCD-OPERA","MW":228.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1653-34-5"}
{"Compound":"2,3-dimethylheptane","CAS":"3074-71-3","CAS.Checksum":true,"DTXSID":"DTXSID30871008","Formula":"C9H20","All.Compound.Names":"2,3-dimethylheptane|Dtxsid30871008","logHenry":-0.5848,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.701,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.9223,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.46,"logWSol.Reference":"EPA-CCD-OPERA","MP":-107.3,"MP.Reference":"EPA-CCD-OPERA","MW":128.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3074-71-3"}
{"Compound":"Hexane, 3-methyl-4-methylene-","CAS":"3404-67-9","CAS.Checksum":true,"DTXSID":"DTXSID30871023","Formula":"C8H16","All.Compound.Names":"Hexane, 3-methyl-4-methylene-|Dtxsid30871023","logHenry":-0.6895,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.1,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4917,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.072,"logWSol.Reference":"EPA-CCD-OPERA","MP":-114,"MP.Reference":"EPA-CCD-OPERA","MW":112.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3404-67-9"}
{"Compound":"1-methyl-3-propyl-cyclohexane","CAS":"4291-80-9","CAS.Checksum":true,"DTXSID":"DTXSID30871068","Formula":"C10H20","All.Compound.Names":"1-methyl-3-propyl-cyclohexane|Dtxsid30871068","logHenry":-1.163,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.109,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8003,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.682,"logWSol.Reference":"EPA-CCD-OPERA","MP":-87.01,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4291-80-9"}
{"Compound":"3,7-dimethyloct-1-ene","CAS":"4984-01-4","CAS.Checksum":true,"DTXSID":"DTXSID30871109","Formula":"C10H20","All.Compound.Names":"3,7-dimethyloct-1-ene|Dtxsid30871109","logHenry":-0.8423,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.148,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.184,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.426,"logWSol.Reference":"EPA-CCD-OPERA","MP":-108.4,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4984-01-4"}
{"Compound":"3-dodecanol","CAS":"10203-30-2","CAS.Checksum":true,"DTXSID":"DTXSID30871200","Formula":"C12H26O","All.Compound.Names":"3-dodecanol|Dtxsid30871200|10203-30-2","logHenry":-4.69,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.652,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.78,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.665,"logWSol.Reference":"EPA-CCD-OPERA","MP":25,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10203-30-2"}
{"Compound":"1,2,3-trimethyl-4-(3-methylbutyl)benzene","CAS":"107997-59-1","CAS.Checksum":true,"DTXSID":"DTXSID30872999","Formula":"C14H22","All.Compound.Names":"1,2,3-trimethyl-4-(3-methylbutyl)benzene|Dtxsid30872999","logHenry":-2.25,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.847,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.715,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.767,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.48,"MP.Reference":"EPA-CCD-OPERA","MW":190.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107997-59-1"}
{"Compound":"8-isopropyl-1,3-dimethyltricyclo(4.4.0.02,7)dec-3-ene","CAS":"3856-25-5","CAS.Checksum":true,"DTXSID":"DTXSID30873067","Formula":"C15H24","All.Compound.Names":"8-isopropyl-1,3-dimethyltricyclo(4.4.0.02,7)dec-3-ene|Dtxsid30873067|Copaene","logHenry":-2.722,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.013,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.622,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.366,"logWSol.Reference":"EPA-CCD-OPERA","MP":155,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3856-25-5"}
{"Compound":"Benzene, (1-propylheptyl)-","CAS":"4537-12-6","CAS.Checksum":true,"DTXSID":"DTXSID30874872","Formula":"C16H26","All.Compound.Names":"Benzene, (1-propylheptyl)-|Dtxsid30874872","logHenry":-2.674,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.997,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5073,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.635,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.11,"MP.Reference":"EPA-CCD-OPERA","MW":218.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4537-12-6"}
{"Compound":"Benzene, (1-butyloctyl)-","CAS":"2719-63-3","CAS.Checksum":true,"DTXSID":"DTXSID30875107","Formula":"C18H30","All.Compound.Names":"Benzene, (1-butyloctyl)-|Dtxsid30875107","logHenry":-3.242,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.013,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1276,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.981,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.003,"MP.Reference":"EPA-CCD-OPERA","MW":246.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2719-63-3"}
{"Compound":"3-(perfluorohexyl)-1,2-epoxypropane","CAS":"38565-52-5","CAS.Checksum":true,"DTXSID":"DTXSID30880413","Formula":"C9H5F13O","All.Compound.Names":"3-(perfluorohexyl)-1,2-epoxypropane|Dtxsid30880413","logHenry":-2.987,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.154,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.062,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.764,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.969,"MP.Reference":"EPA-CCD-OPERA","MW":376.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"38565-52-5"}
{"Compound":"Bicyclo[3.3.1]nonan-9-one, 1,2,4-trimethyl-3-nitro-, (2-endo,3-exo,4-exo)-(.+-.)-","CAS":"129967-65-3","CAS.Checksum":true,"DTXSID":"DTXSID30880630","Formula":"C12H19NO3","All.Compound.Names":"Bicyclo[3.3.1]nonan-9-one, 1,2,4-trimethyl-3-nitro-, (2-endo,3-exo,4-exo)-(.+-.)-|Dtxsid30880630|129967-65-3","logHenry":-6.751,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2908,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.375,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.27,"logWSol.Reference":"EPA-CCD-OPERA","MP":81.23,"MP.Reference":"EPA-CCD-OPERA","MW":225.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.74","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"129967-65-3"}
{"Compound":"Cholesta-8,24-dien-3-ol, 4-methyl-, (3.beta.,4.alpha.)-","CAS":"7199-92-0","CAS.Checksum":true,"DTXSID":"DTXSID30880635","Formula":"C28H46O","All.Compound.Names":"Cholesta-8,24-dien-3-ol, 4-methyl-, (3.beta.,4.alpha.)-|Dtxsid30880635|7199-92-0","logHenry":-7.493,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.27,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.088,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.243,"logWSol.Reference":"EPA-CCD-OPERA","MP":143,"MP.Reference":"EPA-CCD-OPERA","MW":398.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7199-92-0"}
{"Compound":"2,2,4-trimethyl-3-hexene","CAS":"59643-72-0","CAS.Checksum":true,"DTXSID":"DTXSID30880650","Formula":"C9H18","All.Compound.Names":"2,2,4-trimethyl-3-hexene|Dtxsid30880650","logHenry":-0.7995,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.028,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4101,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.74,"logWSol.Reference":"EPA-CCD-OPERA","MP":-124.1,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"59643-72-0"}
{"Compound":"3a,6-methano-3ah-indene, 2,3,4,5,6,7-hexahydro-","CAS":"98640-10-9","CAS.Checksum":true,"DTXSID":"DTXSID30880655","Formula":"C10H14","All.Compound.Names":"3a,6-methano-3ah-indene, 2,3,4,5,6,7-hexahydro-|Dtxsid30880655","logHenry":-2.304,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.032,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8354,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.94,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.15,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98640-10-9"}
{"Compound":"1-(adamantyl)cyclohexene","CAS":"78053-16-4","CAS.Checksum":true,"DTXSID":"DTXSID30880670","Formula":"C16H24","All.Compound.Names":"1-(adamantyl)cyclohexene|Dtxsid30880670","logHenry":-3.166,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.316,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.066,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.346,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.6,"MP.Reference":"EPA-CCD-OPERA","MW":216.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78053-16-4"}
{"Compound":"Dibenzo[a,c]cyclooctene, 5,6,7,8-tetrahydro-","CAS":"1082-12-8","CAS.Checksum":true,"DTXSID":"DTXSID30880675","Formula":"C16H16","All.Compound.Names":"Dibenzo[a,c]cyclooctene, 5,6,7,8-tetrahydro-|Dtxsid30880675","logHenry":-3.843,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.63,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.58,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.89,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.53,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1082-12-8"}
{"Compound":"Triton x-100.3","CAS":"2315-62-0","CAS.Checksum":true,"DTXSID":"DTXSID30880690","Formula":"C20H34O4","All.Compound.Names":"Triton x-100.3|Dtxsid30880690|4-octylphenol triethoxylate|2315-62-0","logHenry":-8.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.503,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.566,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.825,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.78,"MP.Reference":"EPA-CCD-OPERA","MW":338.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.75","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2315-62-0"}
{"Compound":"Benzene, (1,1-dimethylnonyl)-","CAS":"55191-25-8","CAS.Checksum":true,"DTXSID":"DTXSID30880695","Formula":"C17H28","All.Compound.Names":"Benzene, (1,1-dimethylnonyl)-|Dtxsid30880695","logHenry":-3.22,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.53,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.147,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.954,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.34,"MP.Reference":"EPA-CCD-OPERA","MW":232.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55191-25-8"}
{"Compound":"2(1h)-naphthalenone, 4a,5,6,7,8,8a-hexahydro-7.alpha.-isopropyl-4a.beta.,8a.beta.-dimethyl-","CAS":"17408-66-1","CAS.Checksum":true,"DTXSID":"DTXSID30880711","Formula":"C15H24O","All.Compound.Names":"2(1h)-naphthalenone, 4a,5,6,7,8,8a-hexahydro-7.alpha.-isopropyl-4a.beta.,8a.beta.-dimethyl-|Dtxsid30880711","logHenry":-3.716,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.357,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.904,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.866,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.6672,"MP.Reference":"EPA-CCD-OPERA","MW":220.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17408-66-1"}
{"Compound":"4-undecene, 10-methyl-, (e)-","CAS":"74630-60-7","CAS.Checksum":true,"DTXSID":"DTXSID30880716","Formula":"C12H24","All.Compound.Names":"4-undecene, 10-methyl-, (e)-|Dtxsid30880716","logHenry":-1.178,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.851,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6445,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.578,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.63,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74630-60-7"}
{"Compound":"Octadecane, 2,6-dimethyl-","CAS":"75163-97-2","CAS.Checksum":true,"DTXSID":"DTXSID30880731","Formula":"C20H42","All.Compound.Names":"Octadecane, 2,6-dimethyl-|Dtxsid30880731","logHenry":-5.261,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.456,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5899,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.02,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.053,"MP.Reference":"EPA-CCD-OPERA","MW":282.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75163-97-2"}
{"Compound":"Cyclooctane, (1-methylpropyl)-","CAS":"16538-89-9","CAS.Checksum":true,"DTXSID":"DTXSID30880736","Formula":"C12H24","All.Compound.Names":"Cyclooctane, (1-methylpropyl)-|Dtxsid30880736","logHenry":-1.189,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.697,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.00366,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.951,"logWSol.Reference":"EPA-CCD-OPERA","MP":-110.7,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16538-89-9"}
{"Compound":"Pentadecane, 3-methyl-","CAS":"2882-96-4","CAS.Checksum":true,"DTXSID":"DTXSID30880751","Formula":"C16H34","All.Compound.Names":"Pentadecane, 3-methyl-|Dtxsid30880751","logHenry":-2.085,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.042,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6061,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.403,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.05,"MP.Reference":"EPA-CCD-OPERA","MW":226.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2882-96-4"}
{"Compound":"Eicosane, 3-methyl-","CAS":"6418-46-8","CAS.Checksum":true,"DTXSID":"DTXSID30880756","Formula":"C21H44","All.Compound.Names":"Eicosane, 3-methyl-|Dtxsid30880756","logHenry":-5.392,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.46,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.00038,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.997,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.00275,"MP.Reference":"EPA-CCD-OPERA","MW":296.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6418-46-8"}
{"Compound":"Cyclopentene, 5-hexyl-3,3-dimethyl-","CAS":"61142-66-3","CAS.Checksum":true,"DTXSID":"DTXSID30880771","Formula":"C13H24","All.Compound.Names":"Cyclopentene, 5-hexyl-3,3-dimethyl-|Dtxsid30880771","logHenry":-1.936,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.46,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3065,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.304,"logWSol.Reference":"EPA-CCD-OPERA","MP":-112.6,"MP.Reference":"EPA-CCD-OPERA","MW":180.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61142-66-3"}
{"Compound":"Cyclohexane, 1-ethyl-1,4-dimethyl-, trans-","CAS":"62238-32-8","CAS.Checksum":true,"DTXSID":"DTXSID30880776","Formula":"C10H20","All.Compound.Names":"Cyclohexane, 1-ethyl-1,4-dimethyl-, trans-|Dtxsid30880776","logHenry":-1.154,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.018,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5432,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.646,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.03,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62238-32-8"}
{"Compound":"Naphthalene, decahydro-2,6-dimethyl-","CAS":"1618-22-0","CAS.Checksum":true,"DTXSID":"DTXSID30880791","Formula":"C12H22","All.Compound.Names":"Naphthalene, decahydro-2,6-dimethyl-|Dtxsid30880791","logHenry":-1.404,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.898,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5934,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.242,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.417,"MP.Reference":"EPA-CCD-OPERA","MW":166.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1618-22-0"}
{"Compound":"Cyclooctane, 1-methyl-3-propyl-","CAS":"255885-37-1","CAS.Checksum":true,"DTXSID":"DTXSID30880796","Formula":"C12H24","All.Compound.Names":"Cyclooctane, 1-methyl-3-propyl-|Dtxsid30880796","logHenry":-1.188,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.696,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.00315,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.961,"logWSol.Reference":"EPA-CCD-OPERA","MP":-110.7,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"255885-37-1"}
{"Compound":"1,5-hexadiene, 3,4-diethyl-1,6-diphenyl-, (e,e)-","CAS":"19474-73-8","CAS.Checksum":true,"DTXSID":"DTXSID30880812","Formula":"C22H26","All.Compound.Names":"1,5-hexadiene, 3,4-diethyl-1,6-diphenyl-, (e,e)-|Dtxsid30880812","logHenry":-5.716,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.652,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.966,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.426,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.33,"MP.Reference":"EPA-CCD-OPERA","MW":290.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19474-73-8"}
{"Compound":"Cyclopropanecarboxylic acid, 2-ethylhexyl ester","CAS":"103604-31-5","CAS.Checksum":true,"DTXSID":"DTXSID30880817","Formula":"C12H22O2","All.Compound.Names":"Cyclopropanecarboxylic acid, 2-ethylhexyl ester|Dtxsid30880817","logHenry":-3.735,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.427,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.385,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.914,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.109,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103604-31-5"}
{"Compound":"Trans-2-heptenal","CAS":"18829-55-5","CAS.Checksum":true,"DTXSID":"DTXSID30880832","Formula":"C7H12O","All.Compound.Names":"Trans-2-heptenal|Dtxsid30880832","logHenry":-4.072,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.083,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.876,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.65,"logWSol.Reference":"EPA-CCD-OPERA","MP":-47.7,"MP.Reference":"EPA-CCD-OPERA","MW":112.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18829-55-5"}
{"Compound":"5-undecene, 7-ethenyl-","CAS":"55976-07-3","CAS.Checksum":true,"DTXSID":"DTXSID30880837","Formula":"C13H24","All.Compound.Names":"5-undecene, 7-ethenyl-|Dtxsid30880837","logHenry":-1.875,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.942,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1313,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.9,"logWSol.Reference":"EPA-CCD-OPERA","MP":-97.49,"MP.Reference":"EPA-CCD-OPERA","MW":180.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55976-07-3"}
{"Compound":"4-tridecene, (z)-","CAS":"41446-54-2","CAS.Checksum":true,"DTXSID":"DTXSID30880852","Formula":"C13H26","All.Compound.Names":"4-tridecene, (z)-|Dtxsid30880852","logHenry":-1.887,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.878,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.09472,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.523,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.58,"MP.Reference":"EPA-CCD-OPERA","MW":182.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41446-54-2"}
{"Compound":"7-heptadecene, 1-chloro-","CAS":"56554-78-0","CAS.Checksum":true,"DTXSID":"DTXSID30880857","Formula":"C17H33Cl","All.Compound.Names":"7-heptadecene, 1-chloro-|Dtxsid30880857","logHenry":-4.956,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.631,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1465,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.323,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.93,"MP.Reference":"EPA-CCD-OPERA","MW":272.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56554-78-0"}
{"Compound":"5-eicosene, (e)-","CAS":"74685-30-6","CAS.Checksum":true,"DTXSID":"DTXSID30880872","Formula":"C20H40","All.Compound.Names":"5-eicosene, (e)-|Dtxsid30880872","logHenry":-5.27,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.624,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.216,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.65,"MP.Reference":"EPA-CCD-OPERA","MW":280.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74685-30-6"}
{"Compound":"9,12-octadecadienoyl chloride, (z,z)-","CAS":"7459-33-8","CAS.Checksum":true,"DTXSID":"DTXSID30880877","Formula":"C18H31ClO","All.Compound.Names":"9,12-octadecadienoyl chloride, (z,z)-|Dtxsid30880877","logHenry":-6.61,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.631,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.773,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.34,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.12,"MP.Reference":"EPA-CCD-OPERA","MW":298.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7459-33-8"}
{"Compound":"Nonanoic acid, 2-oxo-, methyl ester","CAS":"56275-54-8","CAS.Checksum":true,"DTXSID":"DTXSID30880892","Formula":"C10H18O3","All.Compound.Names":"Nonanoic acid, 2-oxo-, methyl ester|Dtxsid30880892","logHenry":-5.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.174,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.559,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.192,"logWSol.Reference":"EPA-CCD-OPERA","MP":-30.59,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56275-54-8"}
{"Compound":"Glyceryl 1,2-dilaurate","CAS":"17598-94-6","CAS.Checksum":true,"DTXSID":"DTXSID30880897","Formula":"C27H52O5","All.Compound.Names":"Glyceryl 1,2-dilaurate|Dtxsid30880897|17598-94-6","logHenry":-7.746,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.647,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.63,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.905,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.45,"MP.Reference":"EPA-CCD-OPERA","MW":456.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.94","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17598-94-6"}
{"Compound":"Cyclopropa[1,2:1,3]dicyclopenten-3(3ah)-one, 1,2,3b,6-tetrahydro-3a,6,6-trimethyl-","CAS":"91531-53-2","CAS.Checksum":true,"DTXSID":"DTXSID30880913","Formula":"C12H16O","All.Compound.Names":"Cyclopropa[1,2:1,3]dicyclopenten-3(3ah)-one, 1,2,3b,6-tetrahydro-3a,6,6-trimethyl-|Dtxsid30880913","logHenry":-3.996,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.656,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.103,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.288,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.22,"MP.Reference":"EPA-CCD-OPERA","MW":176.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91531-53-2"}
{"Compound":"3-phenylthiane,s,s-dioxide","CAS":"6581-68-6","CAS.Checksum":true,"DTXSID":"DTXSID30880918","Formula":"C11H14O2S","All.Compound.Names":"3-phenylthiane,s,s-dioxide|Dtxsid30880918","logHenry":-4.081,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.608,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.163,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.858,"logWSol.Reference":"EPA-CCD-OPERA","MP":144.4,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6581-68-6"}
{"Compound":"Cyclopropanepentanoic acid, 2-undecyl-, methyl ester, trans-","CAS":"42199-20-2","CAS.Checksum":true,"DTXSID":"DTXSID30880933","Formula":"C20H38O2","All.Compound.Names":"Cyclopropanepentanoic acid, 2-undecyl-, methyl ester, trans-|Dtxsid30880933","logHenry":-6.581,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.046,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.328,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.294,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.335,"MP.Reference":"EPA-CCD-OPERA","MW":310.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42199-20-2"}
{"Compound":"Cyclopentanol, 1,2-dimethyl-3-(1-methylethenyl)-, [1r-(1alpha,2alpha,3alpha)]-","CAS":"4028-60-8","CAS.Checksum":true,"DTXSID":"DTXSID30881203","Formula":"C10H18O","All.Compound.Names":"Cyclopentanol, 1,2-dimethyl-3-(1-methylethenyl)-, [1r-(1alpha,2alpha,3alpha)]-|Dtxsid30881203|4028-60-8","logHenry":-5.503,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.872,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.548,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.159,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.47,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4028-60-8"}
{"Compound":"Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1alpha,2beta,5alpha)-","CAS":"15358-88-0","CAS.Checksum":true,"DTXSID":"DTXSID30881208","Formula":"C10H16O","All.Compound.Names":"Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1alpha,2beta,5alpha)-|Dtxsid30881208","logHenry":-4.057,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.991,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.837,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.048,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.641,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15358-88-0"}
{"Compound":"Isobornyl formate","CAS":"1200-67-5","CAS.Checksum":true,"DTXSID":"DTXSID30881243","Formula":"C11H18O2","All.Compound.Names":"Isobornyl formate|Dtxsid30881243","logHenry":-4.61,"logHenry.Reference":"OPERA29","logP":4.24,"logP.Reference":"OPERA29","logWSol":-2.7,"logWSol.Reference":"OPERA29","MP":3,"MP.Reference":"OPERA29","MW":182.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1200-67-5"}
{"Compound":"2-(perfluorobutyl)-1-ethanesulfonic acid","CAS":"757124-72-4","CAS.Checksum":true,"DTXSID":"DTXSID30891564","Formula":"C6H5F9O3S","All.Compound.Names":"2-(perfluorobutyl)-1-ethanesulfonic acid|Dtxsid30891564|4:2 fluorotelomer sulfonic acid|757124-72-4","logHenry":-9.61,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.259,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.514,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.618,"logWSol.Reference":"EPA-CCD-OPERA","MP":90.56,"MP.Reference":"EPA-CCD-OPERA","MW":328.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"757124-72-4"}
{"Compound":"Perfluoroundecanoate","CAS":"196859-54-8","CAS.Checksum":true,"DTXSID":"DTXSID30892475","Formula":"C11F21O2","All.Compound.Names":"Perfluoroundecanoate|Dtxsid30892475|196859-54-8","logHenry":-9.477,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.003,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6936,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.785,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.52,"MP.Reference":"EPA-CCD-OPERA","MW":563.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"196859-54-8"}
{"Compound":"Fiduxosin","CAS":"208993-54-8","CAS.Checksum":true,"DTXSID":"DTXSID401017163","Formula":"C30H29N5O4S","All.Compound.Names":"Fiduxosin|Dtxsid401017163|208993-54-8","logHenry":-7.393,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.727,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.655,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.642,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.2,"MP.Reference":"EPA-CCD-OPERA","MW":555.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"208993-54-8"}
{"Compound":"1,4-diethyl-2-methylbenzene","CAS":"13632-94-5","CAS.Checksum":true,"DTXSID":"DTXSID40159763","Formula":"C11H16","All.Compound.Names":"1,4-diethyl-2-methylbenzene|Dtxsid40159763","logHenry":-2.102,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.423,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.746,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.609,"logWSol.Reference":"EPA-CCD-OPERA","MP":-72.75,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13632-94-5"}
{"Compound":"Vinyl 4-(1,1-dimethylethyl)benzoate","CAS":"15484-80-7","CAS.Checksum":true,"DTXSID":"DTXSID40165748","Formula":"C13H16O2","All.Compound.Names":"Vinyl 4-(1,1-dimethylethyl)benzoate|Dtxsid40165748","logHenry":-4.045,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.822,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.307,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.904,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.1,"MP.Reference":"EPA-CCD-OPERA","MW":204.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15484-80-7"}
{"Compound":"Hydrazine, 1,2-diethyl-","CAS":"1615-83-4","CAS.Checksum":true,"DTXSID":"DTXSID40167161","Formula":"C6H16N2","All.Compound.Names":"Hydrazine, 1,2-diethyl-|Dtxsid40167161|1615-83-4","logHenry":-6.581,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.052,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.685,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5467,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.13,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1615-83-4"}
{"Compound":"9h-carbazole, 1,4-dimethyl-","CAS":"18028-55-2","CAS.Checksum":true,"DTXSID":"DTXSID40170938","Formula":"C14H13N","All.Compound.Names":"9h-carbazole, 1,4-dimethyl-|Dtxsid40170938|18028-55-2","logHenry":-7.105,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.922,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.151,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.029,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.4,"MP.Reference":"EPA-CCD-OPERA","MW":195.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18028-55-2"}
{"Compound":"Hydroxymethylcyclododecane","CAS":"1892-12-2","CAS.Checksum":true,"DTXSID":"DTXSID40172316","Formula":"C13H26O","All.Compound.Names":"Hydroxymethylcyclododecane|Dtxsid40172316|1892-12-2","logHenry":-4.836,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.342,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.884,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.006,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.15,"MP.Reference":"EPA-CCD-OPERA","MW":198.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1892-12-2"}
{"Compound":"Heptadecylcyclohexane","CAS":"19781-73-8","CAS.Checksum":true,"DTXSID":"DTXSID40173489","Formula":"C23H46","All.Compound.Names":"Heptadecylcyclohexane|Dtxsid40173489","logHenry":-6.445,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.446,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.473,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.253,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.5,"MP.Reference":"EPA-CCD-OPERA","MW":322.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19781-73-8"}
{"Compound":"Allylcyclohexane","CAS":"2114-42-3","CAS.Checksum":true,"DTXSID":"DTXSID40175382","Formula":"C9H16","All.Compound.Names":"Allylcyclohexane|Dtxsid40175382","logHenry":-1.211,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.572,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.131,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.665,"logWSol.Reference":"EPA-CCD-OPERA","MP":-95.94,"MP.Reference":"EPA-CCD-OPERA","MW":124.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2114-42-3"}
{"Compound":"P-tert-butylpivalophenone","CAS":"22583-66-0","CAS.Checksum":true,"DTXSID":"DTXSID40177109","Formula":"C15H22O","All.Compound.Names":"P-tert-butylpivalophenone|Dtxsid40177109","logHenry":-3.728,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.293,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.961,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.475,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.09,"MP.Reference":"EPA-CCD-OPERA","MW":218.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22583-66-0"}
{"Compound":"Dicyclohexylmethane","CAS":"3178-23-2","CAS.Checksum":true,"DTXSID":"DTXSID40185643","Formula":"C13H24","All.Compound.Names":"Dicyclohexylmethane|Dtxsid40185643","logHenry":-2.22,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.986,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.336,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.816,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.08933,"MP.Reference":"EPA-CCD-OPERA","MW":180.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3178-23-2"}
{"Compound":"3,4-octadiene, 7-methyl-","CAS":"37050-05-8","CAS.Checksum":true,"DTXSID":"DTXSID40190555","Formula":"C9H16","All.Compound.Names":"3,4-octadiene, 7-methyl-|Dtxsid40190555","logHenry":-1.125,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.395,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.216,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.192,"logWSol.Reference":"EPA-CCD-OPERA","MP":-82.76,"MP.Reference":"EPA-CCD-OPERA","MW":124.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"37050-05-8"}
{"Compound":"Urea, n-heptyl-","CAS":"42955-46-4","CAS.Checksum":true,"DTXSID":"DTXSID40195580","Formula":"C8H18N2O","All.Compound.Names":"Urea, n-heptyl-|Dtxsid40195580|42955-46-4","logHenry":-7.545,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.636,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.439,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6722,"logWSol.Reference":"EPA-CCD-OPERA","MP":115,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42955-46-4"}
{"Compound":"9h-fluorene, 9,9-dimethyl-","CAS":"4569-45-3","CAS.Checksum":true,"DTXSID":"DTXSID40196597","Formula":"C15H14","All.Compound.Names":"9h-fluorene, 9,9-dimethyl-|Dtxsid40196597","logHenry":-3.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.178,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.326,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.522,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.18,"MP.Reference":"EPA-CCD-OPERA","MW":194.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4569-45-3"}
{"Compound":"Ethylene dimethanesulfonate","CAS":"4672-49-5","CAS.Checksum":true,"DTXSID":"DTXSID40196931","Formula":"C4H10O6S2","All.Compound.Names":"Ethylene dimethanesulfonate|Dtxsid40196931","logHenry":-5.628,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.253,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.756,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.447,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.17,"MP.Reference":"EPA-CCD-OPERA","MW":218.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4672-49-5"}
{"Compound":"Vinyl decanoate","CAS":"4704-31-8","CAS.Checksum":true,"DTXSID":"DTXSID40197009","Formula":"C12H22O2","All.Compound.Names":"Vinyl decanoate|Dtxsid40197009","logHenry":-3.797,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.425,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.382,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.352,"logWSol.Reference":"EPA-CCD-OPERA","MP":-42.06,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4704-31-8"}
{"Compound":"(r)-trans-pinane","CAS":"4863-59-6","CAS.Checksum":true,"DTXSID":"DTXSID40197569","Formula":"C10H18","All.Compound.Names":"(r)-trans-pinane|Dtxsid40197569","logHenry":-1.235,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.635,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.07713,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.097,"logWSol.Reference":"EPA-CCD-OPERA","MP":-52.23,"MP.Reference":"EPA-CCD-OPERA","MW":138.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4863-59-6"}
{"Compound":"Perfluorooct-1-ene","CAS":"559-14-8","CAS.Checksum":true,"DTXSID":"DTXSID40204489","Formula":"C8F16","All.Compound.Names":"Perfluorooct-1-ene|Dtxsid40204489","logHenry":-1.702,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.284,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.84,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.471,"logWSol.Reference":"EPA-CCD-OPERA","MP":-40.41,"MP.Reference":"EPA-CCD-OPERA","MW":400.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"559-14-8"}
{"Compound":"4-undecyne","CAS":"60212-31-9","CAS.Checksum":true,"DTXSID":"DTXSID40208962","Formula":"C11H20","All.Compound.Names":"4-undecyne|Dtxsid40208962","logHenry":-1.181,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.378,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.948,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.627,"logWSol.Reference":"EPA-CCD-OPERA","MP":-60.06,"MP.Reference":"EPA-CCD-OPERA","MW":152.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60212-31-9"}
{"Compound":"Cyclopentane, heneicosyl-","CAS":"6703-82-8","CAS.Checksum":true,"DTXSID":"DTXSID40217296","Formula":"C26H52","All.Compound.Names":"Cyclopentane, heneicosyl-|Dtxsid40217296","logHenry":-6.113,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.023,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.729,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.052,"logWSol.Reference":"EPA-CCD-OPERA","MP":-153.8,"MP.Reference":"EPA-CCD-OPERA","MW":364.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6703-82-8"}
{"Compound":"1-methylpiperazine","CAS":"109-01-3","CAS.Checksum":true,"DTXSID":"DTXSID4021898","Formula":"C5H12N2","All.Compound.Names":"1-methylpiperazine|Dtxsid4021898|109-01-3","logHenry":-6.331,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3882,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.005,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9189,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.885,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.5","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-01-3"}
{"Compound":"Peroxide, dimethyl","CAS":"690-02-8","CAS.Checksum":true,"DTXSID":"DTXSID40219038","Formula":"C2H6O2","All.Compound.Names":"Peroxide, dimethyl|Dtxsid40219038","logHenry":-4.29,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2577,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.341,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5986,"logWSol.Reference":"EPA-CCD-OPERA","MP":-89.68,"MP.Reference":"EPA-CCD-OPERA","MW":62.07,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"690-02-8"}
{"Compound":"2-octanone","CAS":"111-13-7","CAS.Checksum":true,"DTXSID":"DTXSID4021927","Formula":"C8H16O","All.Compound.Names":"2-octanone|Dtxsid4021927","logHenry":-3.727,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.371,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.188,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.085,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.86,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-13-7"}
{"Compound":"Tetrachlorocatechol","CAS":"1198-55-6","CAS.Checksum":true,"DTXSID":"DTXSID4022151","Formula":"C6H2Cl4O2","All.Compound.Names":"Tetrachlorocatechol|Dtxsid4022151|1198-55-6","logHenry":-7.232,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.289,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.642,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.959,"logWSol.Reference":"EPA-CCD-OPERA","MP":202,"MP.Reference":"EPA-CCD-OPERA","MW":247.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1198-55-6"}
{"Compound":"2-dodecanone","CAS":"6175-49-1","CAS.Checksum":true,"DTXSID":"DTXSID4022236","Formula":"C12H24O","All.Compound.Names":"2-dodecanone|Dtxsid4022236","logHenry":-3.714,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.567,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.521,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.199,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.28,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6175-49-1"}
{"Compound":"Aziridine, 1-(2-methyl-1-propenyl)-","CAS":"80839-93-6","CAS.Checksum":true,"DTXSID":"DTXSID40230662","Formula":"C6H11N","All.Compound.Names":"Aziridine, 1-(2-methyl-1-propenyl)-|Dtxsid40230662|80839-93-6","logHenry":-2.713,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.207,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.452,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.06929,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.74,"MP.Reference":"EPA-CCD-OPERA","MW":97.16,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80839-93-6"}
{"Compound":"Methylsilatrane","CAS":"2288-13-3","CAS.Checksum":true,"DTXSID":"DTXSID4025660","Formula":"C7H15NO3Si","All.Compound.Names":"Methylsilatrane|Dtxsid4025660|2288-13-3","logHenry":-6.352,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6674,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.938,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.6341,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.8,"MP.Reference":"EPA-CCD-OPERA","MW":189.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.93","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2288-13-3"}
{"Compound":"Octachlorodibenzo-p-dioxin","CAS":"3268-87-9","CAS.Checksum":true,"DTXSID":"DTXSID4025799","Formula":"C12Cl8O2","All.Compound.Names":"Octachlorodibenzo-p-dioxin|Dtxsid4025799","logHenry":-2.273,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.708,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.294,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-12.42,"logWSol.Reference":"EPA-CCD-OPERA","MP":329.9,"MP.Reference":"EPA-CCD-OPERA","MW":459.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3268-87-9"}
{"Compound":"Tris(2-ethylhexyl) phosphite","CAS":"301-13-3","CAS.Checksum":true,"DTXSID":"DTXSID4026264","Formula":"C24H51O3P","All.Compound.Names":"Tris(2-ethylhexyl) phosphite|Dtxsid4026264","logHenry":-6.007,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.247,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.447,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.242,"logWSol.Reference":"EPA-CCD-OPERA","MP":-57.87,"MP.Reference":"EPA-CCD-OPERA","MW":418.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"301-13-3"}
{"Compound":"2-mercaptoethanol","CAS":"60-24-2","CAS.Checksum":true,"DTXSID":"DTXSID4026343","Formula":"C2H6OS","All.Compound.Names":"2-mercaptoethanol|Dtxsid4026343|60-24-2","logHenry":-6.013,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3904,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.267,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.105,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.83,"MP.Reference":"EPA-CCD-OPERA","MW":78.13,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60-24-2"}
{"Compound":"C.i. fluorescent brightener 220","CAS":"16470-24-9","CAS.Checksum":true,"DTXSID":"DTXSID4027781","Formula":"C40H40N12Na4O16S4","All.Compound.Names":"C.i. fluorescent brightener 220|Dtxsid4027781|16470-24-9","logHenry":-10.64,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.75,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.88,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.037,"logWSol.Reference":"EPA-CCD-OPERA","MP":177.7,"MP.Reference":"EPA-CCD-OPERA","MW":1165,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16470-24-9"}
{"Compound":"Phthalimidoacetone","CAS":"3416-57-7","CAS.Checksum":true,"DTXSID":"DTXSID40284160","Formula":"C11H9NO3","All.Compound.Names":"Phthalimidoacetone|Dtxsid40284160|3416-57-7","logHenry":-6.022,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.08,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.55,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.283,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.51,"MP.Reference":"EPA-CCD-OPERA","MW":203.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3416-57-7"}
{"Compound":"2-n-butyldecahydronaphthalene","CAS":"6305-52-8","CAS.Checksum":true,"DTXSID":"DTXSID40285238","Formula":"C14H26","All.Compound.Names":"2-n-butyldecahydronaphthalene|Dtxsid40285238","logHenry":-2.242,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.141,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5888,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.113,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.08,"MP.Reference":"EPA-CCD-OPERA","MW":194.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6305-52-8"}
{"Compound":"1,1,1-trifluoro-2-hexanone","CAS":"360-34-9","CAS.Checksum":true,"DTXSID":"DTXSID40285672","Formula":"C6H9F3O","All.Compound.Names":"1,1,1-trifluoro-2-hexanone|Dtxsid40285672","logHenry":-3.689,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.931,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2037,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.866,"logWSol.Reference":"EPA-CCD-OPERA","MP":-57.97,"MP.Reference":"EPA-CCD-OPERA","MW":154.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"360-34-9"}
{"Compound":"Jasmacyclen","CAS":"5413-60-5","CAS.Checksum":true,"DTXSID":"DTXSID4029270","Formula":"C12H16O2","All.Compound.Names":"Jasmacyclen|Dtxsid4029270","logHenry":-4.065,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.469,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.323,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.897,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.7,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5413-60-5"}
{"Compound":"11-pentan-3-ylhenicosane","CAS":"55282-11-6","CAS.Checksum":true,"DTXSID":"DTXSID40303360","Formula":"C26H54","All.Compound.Names":"11-pentan-3-ylhenicosane|Dtxsid40303360","logHenry":-6.111,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.213,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.313,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.118,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.423,"MP.Reference":"EPA-CCD-OPERA","MW":366.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55282-11-6"}
{"Compound":"1,7-dicyclopentyl-4-(2'-cyclohexylethyl)heptane","CAS":"55401-72-4","CAS.Checksum":true,"DTXSID":"DTXSID40303961","Formula":"C25H46","All.Compound.Names":"1,7-dicyclopentyl-4-(2'-cyclohexylethyl)heptane|Dtxsid40303961","logHenry":-5.397,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.443,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.148,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.04,"logWSol.Reference":"EPA-CCD-OPERA","MP":134.9,"MP.Reference":"EPA-CCD-OPERA","MW":346.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55401-72-4"}
{"Compound":"2,9-dimethyldecane","CAS":"1002-17-1","CAS.Checksum":true,"DTXSID":"DTXSID40333708","Formula":"C12H26","All.Compound.Names":"2,9-dimethyldecane|Dtxsid40333708","logHenry":-0.8327,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.175,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.12,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.102,"logWSol.Reference":"EPA-CCD-OPERA","MP":-82.61,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1002-17-1"}
{"Compound":"1-methyl-2-pentylcyclohexane","CAS":"54411-01-7","CAS.Checksum":true,"DTXSID":"DTXSID40334659","Formula":"C12H24","All.Compound.Names":"1-methyl-2-pentylcyclohexane|Dtxsid40334659","logHenry":-1.186,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.713,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.02011,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.969,"logWSol.Reference":"EPA-CCD-OPERA","MP":-84.84,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54411-01-7"}
{"Compound":"Butane, 1-(1-methylpropoxy)-","CAS":"999-65-5","CAS.Checksum":true,"DTXSID":"DTXSID40337968","Formula":"C8H18O","All.Compound.Names":"Butane, 1-(1-methylpropoxy)-|Dtxsid40337968","logHenry":-2.51,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.367,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5067,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.091,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.77,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"999-65-5"}
{"Compound":"3-methoxy-2-butanol","CAS":"53778-72-6","CAS.Checksum":true,"DTXSID":"DTXSID40338233","Formula":"C5H12O2","All.Compound.Names":"3-methoxy-2-butanol|Dtxsid40338233|53778-72-6","logHenry":-6.123,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4477,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.796,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8124,"logWSol.Reference":"EPA-CCD-OPERA","MP":-42.16,"MP.Reference":"EPA-CCD-OPERA","MW":104.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53778-72-6"}
{"Compound":"Cyclodecene, 1,2-dimethyl-, (e)-","CAS":"61349-20-0","CAS.Checksum":true,"DTXSID":"DTXSID40338415","Formula":"C12H22","All.Compound.Names":"Cyclodecene, 1,2-dimethyl-, (e)-|Dtxsid40338415","logHenry":-1.401,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.6,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1216,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.448,"logWSol.Reference":"EPA-CCD-OPERA","MP":-86.88,"MP.Reference":"EPA-CCD-OPERA","MW":166.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61349-20-0"}
{"Compound":"9-eicosyne","CAS":"71899-38-2","CAS.Checksum":true,"DTXSID":"DTXSID40339568","Formula":"C20H38","All.Compound.Names":"9-eicosyne|Dtxsid40339568","logHenry":-5.268,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3816,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.173,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.74,"MP.Reference":"EPA-CCD-OPERA","MW":278.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"71899-38-2"}
{"Compound":"Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester","CAS":"137888-35-8","CAS.Checksum":true,"DTXSID":"DTXSID40340795","Formula":"C9H18Cl3O4P","All.Compound.Names":"Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester|Dtxsid40340795","logHenry":-6.505,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.86,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.659,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.824,"logWSol.Reference":"EPA-CCD-OPERA","MP":-31.26,"MP.Reference":"EPA-CCD-OPERA","MW":327.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137888-35-8"}
{"Compound":"Benzene, 1-[(ethenyloxy)methyl]-4-methyl-","CAS":"26437-10-5","CAS.Checksum":true,"DTXSID":"DTXSID40341060","Formula":"C10H12O","All.Compound.Names":"Benzene, 1-[(ethenyloxy)methyl]-4-methyl-|Dtxsid40341060","logHenry":-5.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.716,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.263,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.234,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.374,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26437-10-5"}
{"Compound":"Benzene, (1-methylpentadecyl)-","CAS":"13419-16-4","CAS.Checksum":true,"DTXSID":"DTXSID40341146","Formula":"C22H38","All.Compound.Names":"Benzene, (1-methylpentadecyl)-|Dtxsid40341146","logHenry":-5.71,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.23,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5904,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.902,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.56,"MP.Reference":"EPA-CCD-OPERA","MW":302.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13419-16-4"}
{"Compound":"1,2-diethyl-3,4-dimethylbenzene","CAS":"28013-18-5","CAS.Checksum":true,"DTXSID":"DTXSID40343529","Formula":"C12H18","All.Compound.Names":"1,2-diethyl-3,4-dimethylbenzene|Dtxsid40343529","logHenry":-1.961,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.455,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.375,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.123,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.7,"MP.Reference":"EPA-CCD-OPERA","MW":162.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28013-18-5"}
{"Compound":"9-propylanthracene","CAS":"1498-77-7","CAS.Checksum":true,"DTXSID":"DTXSID40345609","Formula":"C17H16","All.Compound.Names":"9-propylanthracene|Dtxsid40345609","logHenry":-4.545,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.725,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.768,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.119,"logWSol.Reference":"EPA-CCD-OPERA","MP":100.1,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1498-77-7"}
{"Compound":"Trans-permethrin","CAS":"61949-77-7","CAS.Checksum":true,"DTXSID":"DTXSID4037611","Formula":"C21H20Cl2O3","All.Compound.Names":"Trans-permethrin|Dtxsid4037611","logHenry":-7.622,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.499,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.185,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.672,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.28,"MP.Reference":"EPA-CCD-OPERA","MW":391.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61949-77-7"}
{"Compound":"3-(perfluoroisopropyl)-2-propenoic acid","CAS":"243139-64-2","CAS.Checksum":true,"DTXSID":"DTXSID40380257","Formula":"C6H3F7O2","All.Compound.Names":"3-(perfluoroisopropyl)-2-propenoic acid|Dtxsid40380257|243139-64-2","logHenry":-9.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.372,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.71,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.291,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.733,"MP.Reference":"EPA-CCD-OPERA","MW":240.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"243139-64-2"}
{"Compound":"1h,1h-perfluoro-3,6,9-trioxadecan-1-ol","CAS":"147492-57-7","CAS.Checksum":true,"DTXSID":"DTXSID40380797","Formula":"C7H3F13O4","All.Compound.Names":"1h,1h-perfluoro-3,6,9-trioxadecan-1-ol|Dtxsid40380797|147492-57-7","logHenry":-10.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.328,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7679,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.661,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.48,"MP.Reference":"EPA-CCD-OPERA","MW":398.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"147492-57-7"}
{"Compound":"Butyl myristate","CAS":"110-36-1","CAS.Checksum":true,"DTXSID":"DTXSID4038716","Formula":"C18H36O2","All.Compound.Names":"Butyl myristate|Dtxsid4038716","logHenry":-6.51,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.58,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.284,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.647,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.24,"MP.Reference":"EPA-CCD-OPERA","MW":284.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"110-36-1"}
{"Compound":"Chloro(1,1-dimethylethyl)dimethylsilane","CAS":"18162-48-6","CAS.Checksum":true,"DTXSID":"DTXSID4038843","Formula":"C6H15ClSi","All.Compound.Names":"Chloro(1,1-dimethylethyl)dimethylsilane|Dtxsid4038843","logHenry":-0.6313,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.158,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.703,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.754,"logWSol.Reference":"EPA-CCD-OPERA","MP":-78.19,"MP.Reference":"EPA-CCD-OPERA","MW":150.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18162-48-6"}
{"Compound":"1,3-butylene diacrylate","CAS":"19485-03-1","CAS.Checksum":true,"DTXSID":"DTXSID4038845","Formula":"C10H14O4","All.Compound.Names":"1,3-butylene diacrylate|Dtxsid4038845","logHenry":-5.696,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.273,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.954,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7799,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.28,"MP.Reference":"EPA-CCD-OPERA","MW":198.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19485-03-1"}
{"Compound":"Ketamine hydrochloride","CAS":"1867-66-9","CAS.Checksum":true,"DTXSID":"DTXSID4040137","Formula":"C13H17Cl2NO","All.Compound.Names":"Ketamine hydrochloride|Dtxsid4040137|1867-66-9","logHenry":-8.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2311,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.777,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1492,"logWSol.Reference":"EPA-CCD-OPERA","MP":262.3,"MP.Reference":"EPA-CCD-OPERA","MW":274.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1867-66-9"}
{"Compound":"Citco","CAS":"338404-52-7","CAS.Checksum":true,"DTXSID":"DTXSID4040761","Formula":"C19H12Cl3N3OS","All.Compound.Names":"Citco|Dtxsid4040761|338404-52-7","logHenry":-5.313,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.816,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.863,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.48,"logWSol.Reference":"EPA-CCD-OPERA","MP":164.1,"MP.Reference":"EPA-CCD-OPERA","MW":436.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.65","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"338404-52-7"}
{"Compound":"L-phenylalanine","CAS":"63-91-2","CAS.Checksum":true,"DTXSID":"DTXSID4040763","Formula":"C9H11NO2","All.Compound.Names":"L-phenylalanine|Dtxsid4040763|63-91-2","logHenry":-8.153,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.381,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.22,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8734,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.8,"MP.Reference":"EPA-CCD-OPERA","MW":165.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.48","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"2.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63-91-2"}
{"Compound":"2,3,4,5-tetrachloropyridine","CAS":"2808-86-8","CAS.Checksum":true,"DTXSID":"DTXSID4041315","Formula":"C5HCl4N","All.Compound.Names":"2,3,4,5-tetrachloropyridine|Dtxsid4041315|2808-86-8","logHenry":-3.174,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.71,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.017,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.508,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.3,"MP.Reference":"EPA-CCD-OPERA","MW":216.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"1.35","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2808-86-8"}
{"Compound":"2-propanol, 1,1'-[(1-methyl-1,2-ethanediyl)bis(oxy)]bis-","CAS":"1638-16-0","CAS.Checksum":true,"DTXSID":"DTXSID4041448","Formula":"C9H20O4","All.Compound.Names":"2-propanol, 1,1'-[(1-methyl-1,2-ethanediyl)bis(oxy)]bis-|Dtxsid4041448|1638-16-0","logHenry":-7.936,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.07786,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.766,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3107,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.02,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.8","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1638-16-0"}
{"Compound":"Formothion","CAS":"2540-82-1","CAS.Checksum":true,"DTXSID":"DTXSID4041991","Formula":"C6H12NO4PS2","All.Compound.Names":"Formothion|Dtxsid4041991|2540-82-1","logHenry":-6.41,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.478,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.915,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.998,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.53,"MP.Reference":"EPA-CCD-OPERA","MW":257.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2540-82-1"}
{"Compound":"Ave3247","CAS":"1437319-46-4","CAS.Checksum":true,"DTXSID":"DTXSID4047383","Formula":"C25H23ClN5NaO4S","All.Compound.Names":"Ave3247|Dtxsid4047383|1437319-46-4","logHenry":-10.08,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.77,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.954,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.778,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.7,"MP.Reference":"EPA-CCD-OPERA","MW":548,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1437319-46-4"}
{"Compound":"2,4-decadienal","CAS":"2363-88-4","CAS.Checksum":true,"DTXSID":"DTXSID4047626","Formula":"C10H16O","All.Compound.Names":"2,4-decadienal|Dtxsid4047626","logHenry":-3.322,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.494,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.567,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.693,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.73,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2363-88-4"}
{"Compound":"Perylene","CAS":"198-55-0","CAS.Checksum":true,"DTXSID":"DTXSID4047753","Formula":"C20H12","All.Compound.Names":"Perylene|Dtxsid4047753","logHenry":-5.973,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.049,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.294,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.63,"logWSol.Reference":"EPA-CCD-OPERA","MP":225.8,"MP.Reference":"EPA-CCD-OPERA","MW":252.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"198-55-0"}
{"Compound":"Dihydrojasmone","CAS":"1128-08-1","CAS.Checksum":true,"DTXSID":"DTXSID4051584","Formula":"C11H18O","All.Compound.Names":"Dihydrojasmone|Dtxsid4051584","logHenry":-3.479,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.138,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.61,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.367,"logWSol.Reference":"EPA-CCD-OPERA","MP":23.45,"MP.Reference":"EPA-CCD-OPERA","MW":166.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1128-08-1"}
{"Compound":"Bulnesol","CAS":"22451-73-6","CAS.Checksum":true,"DTXSID":"DTXSID4051873","Formula":"C15H26O","All.Compound.Names":"Bulnesol|Dtxsid4051873|22451-73-6","logHenry":-6.277,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.004,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.982,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.733,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.66,"MP.Reference":"EPA-CCD-OPERA","MW":222.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22451-73-6"}
{"Compound":"Di-tert-butyl dicarbonate","CAS":"24424-99-5","CAS.Checksum":true,"DTXSID":"DTXSID4051904","Formula":"C10H18O5","All.Compound.Names":"Di-tert-butyl dicarbonate|Dtxsid4051904","logHenry":-4.178,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.624,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.69,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.466,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.52,"MP.Reference":"EPA-CCD-OPERA","MW":218.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24424-99-5"}
{"Compound":"N-ethylphthalimide","CAS":"5022-29-7","CAS.Checksum":true,"DTXSID":"DTXSID4052134","Formula":"C10H9NO2","All.Compound.Names":"N-ethylphthalimide|Dtxsid4052134|5022-29-7","logHenry":-5.962,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7769,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.621,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.416,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.03,"MP.Reference":"EPA-CCD-OPERA","MW":175.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.16","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5022-29-7"}
{"Compound":"Beta-phellandrene","CAS":"555-10-2","CAS.Checksum":true,"DTXSID":"DTXSID4052215","Formula":"C10H16","All.Compound.Names":"Beta-phellandrene|Dtxsid4052215","logHenry":-1.304,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.116,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3634,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.645,"logWSol.Reference":"EPA-CCD-OPERA","MP":-24.59,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"555-10-2"}
{"Compound":"1'-acetonaphthone","CAS":"941-98-0","CAS.Checksum":true,"DTXSID":"DTXSID4052635","Formula":"C12H10O","All.Compound.Names":"1'-acetonaphthone|Dtxsid4052635","logHenry":-5.762,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.055,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.851,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.358,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.82,"MP.Reference":"EPA-CCD-OPERA","MW":170.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"941-98-0"}
{"Compound":"2,4,4'-tribromodiphenyl ether","CAS":"41318-75-6","CAS.Checksum":true,"DTXSID":"DTXSID4052710","Formula":"C12H7Br3O","All.Compound.Names":"2,4,4'-tribromodiphenyl ether|Dtxsid4052710","logHenry":-3.706,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.94,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.507,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.599,"logWSol.Reference":"EPA-CCD-OPERA","MP":199.6,"MP.Reference":"EPA-CCD-OPERA","MW":406.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41318-75-6"}
{"Compound":"Tripropyl phosphate","CAS":"513-08-6","CAS.Checksum":true,"DTXSID":"DTXSID4052712","Formula":"C9H21O4P","All.Compound.Names":"Tripropyl phosphate|Dtxsid4052712","logHenry":-6.168,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.87,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.388,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.539,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.88,"MP.Reference":"EPA-CCD-OPERA","MW":224.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"513-08-6"}
{"Compound":"Octyl hydrogen phthalate","CAS":"5393-19-1","CAS.Checksum":true,"DTXSID":"DTXSID4052714","Formula":"C16H22O4","All.Compound.Names":"Octyl hydrogen phthalate|Dtxsid4052714|5393-19-1","logHenry":-8.223,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.175,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.455,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.961,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.7,"MP.Reference":"EPA-CCD-OPERA","MW":278.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5393-19-1"}
{"Compound":"M-chlorotoluene","CAS":"108-41-8","CAS.Checksum":true,"DTXSID":"DTXSID4052841","Formula":"C7H7Cl","All.Compound.Names":"M-chlorotoluene|Dtxsid4052841","logHenry":-2.804,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.281,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8615,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.355,"logWSol.Reference":"EPA-CCD-OPERA","MP":-26.63,"MP.Reference":"EPA-CCD-OPERA","MW":126.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"108-41-8"}
{"Compound":"Acetochlor oa, sodium salt","CAS":"NOCAS_52845","CAS.Checksum":false,"DTXSID":"DTXSID4052845","Formula":"C14H18NNaO4","All.Compound.Names":"Acetochlor oa, sodium salt|Dtxsid4052845|NOCAS_52845","logHenry":-8.922,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3707,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.25,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.104,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.88,"MP.Reference":"EPA-CCD-OPERA","MW":287.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"NOCAS_52845"}
{"Compound":"Butyl laurate","CAS":"106-18-3","CAS.Checksum":true,"DTXSID":"DTXSID4059336","Formula":"C16H32O2","All.Compound.Names":"Butyl laurate|Dtxsid4059336","logHenry":-6.11,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.51,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.902,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.984,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.95,"MP.Reference":"EPA-CCD-OPERA","MW":256.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-18-3"}
{"Compound":"Dodecanoic acid, 2-(2-hydroxyethoxy)ethyl ester","CAS":"141-20-8","CAS.Checksum":true,"DTXSID":"DTXSID4059702","Formula":"C16H32O4","All.Compound.Names":"Dodecanoic acid, 2-(2-hydroxyethoxy)ethyl ester|Dtxsid4059702|141-20-8","logHenry":-8.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.951,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.562,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.417,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.4,"MP.Reference":"EPA-CCD-OPERA","MW":288.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.88","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-20-8"}
{"Compound":"Perfluorohexanedioic acid","CAS":"336-08-3","CAS.Checksum":true,"DTXSID":"DTXSID4059833","Formula":"C6H2F8O4","All.Compound.Names":"Perfluorohexanedioic acid|Dtxsid4059833|336-08-3","logHenry":-10.24,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.326,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.838,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.656,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.9,"MP.Reference":"EPA-CCD-OPERA","MW":290.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.76","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"336-08-3"}
{"Compound":"Methyl perfluorobutanoate","CAS":"356-24-1","CAS.Checksum":true,"DTXSID":"DTXSID4059881","Formula":"C5H3F7O2","All.Compound.Names":"Methyl perfluorobutanoate|Dtxsid4059881","logHenry":-2.783,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.901,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3438,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.77,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.89,"MP.Reference":"EPA-CCD-OPERA","MW":228.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"356-24-1"}
{"Compound":"Heptafluorobutyl iodide","CAS":"374-98-1","CAS.Checksum":true,"DTXSID":"DTXSID4059912","Formula":"C4H2F7I","All.Compound.Names":"Heptafluorobutyl iodide|Dtxsid4059912","logHenry":-1.679,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.695,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1173,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.878,"logWSol.Reference":"EPA-CCD-OPERA","MP":-93.56,"MP.Reference":"EPA-CCD-OPERA","MW":310,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"374-98-1"}
{"Compound":"3:1 fluorotelomer alcohol","CAS":"375-01-9","CAS.Checksum":true,"DTXSID":"DTXSID4059914","Formula":"C4H3F7O","All.Compound.Names":"3:1 fluorotelomer alcohol|Dtxsid4059914|375-01-9","logHenry":-3.656,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.94,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8596,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.735,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.41,"MP.Reference":"EPA-CCD-OPERA","MW":200.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"375-01-9"}
{"Compound":"Perfluorobutanoic acid","CAS":"375-22-4","CAS.Checksum":true,"DTXSID":"DTXSID4059916","Formula":"C4HF7O2","All.Compound.Names":"Perfluorobutanoic acid|Dtxsid4059916|375-22-4","logHenry":-4.3,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.432,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.027,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.681,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.88,"MP.Reference":"EPA-CCD-OPERA","MW":214,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.21","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"375-22-4"}
{"Compound":"2-butanone, 4-hydroxy-","CAS":"590-90-9","CAS.Checksum":true,"DTXSID":"DTXSID4060442","Formula":"C4H8O2","All.Compound.Names":"2-butanone, 4-hydroxy-|Dtxsid4060442|590-90-9","logHenry":-7.034,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.3382,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.608,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3977,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.44,"MP.Reference":"EPA-CCD-OPERA","MW":88.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"590-90-9"}
{"Compound":"Dodecane, 1-(ethenyloxy)-","CAS":"765-14-0","CAS.Checksum":true,"DTXSID":"DTXSID4061098","Formula":"C14H28O","All.Compound.Names":"Dodecane, 1-(ethenyloxy)-|Dtxsid4061098","logHenry":-3.353,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.678,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.642,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.59,"MP.Reference":"EPA-CCD-OPERA","MW":212.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"765-14-0"}
{"Compound":"1-methyl-3-propylbenzene","CAS":"1074-43-7","CAS.Checksum":true,"DTXSID":"DTXSID4061468","Formula":"C10H14","All.Compound.Names":"1-methyl-3-propylbenzene|Dtxsid4061468","logHenry":-2.093,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.668,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.08224,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.609,"logWSol.Reference":"EPA-CCD-OPERA","MP":-60.15,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1074-43-7"}
{"Compound":"2-methylpyrene","CAS":"3442-78-2","CAS.Checksum":true,"DTXSID":"DTXSID4063030","Formula":"C17H12","All.Compound.Names":"2-methylpyrene|Dtxsid4063030","logHenry":-4.95,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.566,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.433,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.902,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.6,"MP.Reference":"EPA-CCD-OPERA","MW":216.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3442-78-2"}
{"Compound":"Methyl 2-({2-[(2-ethylcyclopropyl)methyl]cyclopropyl}methyl)cyclopropane-1-carboxylate","CAS":"10152-71-3","CAS.Checksum":true,"DTXSID":"DTXSID40702713","Formula":"C15H24O2","All.Compound.Names":"Methyl 2-({2-[(2-ethylcyclopropyl)methyl]cyclopropyl}methyl)cyclopropane-1-carboxylate|Dtxsid40702713","logHenry":-5.153,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.258,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.177,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.092,"logWSol.Reference":"EPA-CCD-OPERA","MP":-19.75,"MP.Reference":"EPA-CCD-OPERA","MW":236.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10152-71-3"}
{"Compound":"Benzenemethanol, .alpha.-methyl-, (.alpha.s)-","CAS":"1445-91-6","CAS.Checksum":true,"DTXSID":"DTXSID4073259","Formula":"C8H10O","All.Compound.Names":"Benzenemethanol, .alpha.-methyl-, (.alpha.s)-|Dtxsid4073259|1445-91-6","logHenry":-6.171,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.421,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.36,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.138,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.99,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1445-91-6"}
{"Compound":"2-methyl-3-hexanone","CAS":"7379-12-6","CAS.Checksum":true,"DTXSID":"DTXSID4073380","Formula":"C7H14O","All.Compound.Names":"2-methyl-3-hexanone|Dtxsid4073380","logHenry":-4.027,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.836,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.545,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.203,"logWSol.Reference":"EPA-CCD-OPERA","MP":-53.51,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7379-12-6"}
{"Compound":"1,1'-biphenyl, 3-(1-methylethyl)-","CAS":"20282-30-8","CAS.Checksum":true,"DTXSID":"DTXSID4074019","Formula":"C15H16","All.Compound.Names":"1,1'-biphenyl, 3-(1-methylethyl)-|Dtxsid4074019","logHenry":-3.28,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.328,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.107,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.372,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.32,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20282-30-8"}
{"Compound":"2-(octyloxy)ethanol","CAS":"10020-43-6","CAS.Checksum":true,"DTXSID":"DTXSID4075328","Formula":"C10H22O2","All.Compound.Names":"2-(octyloxy)ethanol|Dtxsid4075328|10020-43-6","logHenry":-4.708,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.884,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.833,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.12,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.04,"MP.Reference":"EPA-CCD-OPERA","MW":174.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10020-43-6"}
{"Compound":"(e)-2-octenal","CAS":"2548-87-0","CAS.Checksum":true,"DTXSID":"DTXSID40858789","Formula":"C8H14O","All.Compound.Names":"(e)-2-octenal|Dtxsid40858789","logHenry":-4.13,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.616,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.907,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.215,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.91,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2548-87-0"}
{"Compound":"Ecadotril","CAS":"112573-73-6","CAS.Checksum":true,"DTXSID":"DTXSID40861036","Formula":"C21H23NO4S","All.Compound.Names":"Ecadotril|Dtxsid40861036|112573-73-6","logHenry":-11.52,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.614,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.68,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.032,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.6,"MP.Reference":"EPA-CCD-OPERA","MW":385.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.04","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112573-73-6"}
{"Compound":"3-(chloromethyl)-heptane","CAS":"123-04-6","CAS.Checksum":true,"DTXSID":"DTXSID40861758","Formula":"C8H17Cl","All.Compound.Names":"3-(chloromethyl)-heptane|Dtxsid40861758","logHenry":-2.169,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.541,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.01738,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.182,"logWSol.Reference":"EPA-CCD-OPERA","MP":-36.12,"MP.Reference":"EPA-CCD-OPERA","MW":148.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-04-6"}
{"Compound":"3,6-dimethyl-3-octanol","CAS":"151-19-9","CAS.Checksum":true,"DTXSID":"DTXSID40861834","Formula":"C10H22O","All.Compound.Names":"3,6-dimethyl-3-octanol|Dtxsid40861834|151-19-9","logHenry":-4.595,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.605,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.819,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.703,"logWSol.Reference":"EPA-CCD-OPERA","MP":-65.91,"MP.Reference":"EPA-CCD-OPERA","MW":158.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.27","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"151-19-9"}
{"Compound":"2-pentadecanone, 6,10,14-trimethyl-","CAS":"502-69-2","CAS.Checksum":true,"DTXSID":"DTXSID40862063","Formula":"C18H36O","All.Compound.Names":"2-pentadecanone, 6,10,14-trimethyl-|Dtxsid40862063","logHenry":-6.237,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.239,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2367,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.853,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.89,"MP.Reference":"EPA-CCD-OPERA","MW":268.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"502-69-2"}
{"Compound":"3-cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-","CAS":"586-82-3","CAS.Checksum":true,"DTXSID":"DTXSID40862245","Formula":"C10H18O","All.Compound.Names":"3-cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-|Dtxsid40862245|1-terpinenol|586-82-3","logHenry":-5.571,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.049,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.106,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.169,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.26,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"586-82-3"}
{"Compound":"Cyclohexene, 4-(1,1-dimethylethyl)-","CAS":"2228-98-0","CAS.Checksum":true,"DTXSID":"DTXSID40862881","Formula":"C10H18","All.Compound.Names":"Cyclohexene, 4-(1,1-dimethylethyl)-|Dtxsid40862881","logHenry":-1.226,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.712,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1699,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.099,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.41,"MP.Reference":"EPA-CCD-OPERA","MW":138.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2228-98-0"}
{"Compound":"3-phenyldodecane","CAS":"2400-00-2","CAS.Checksum":true,"DTXSID":"DTXSID40862922","Formula":"C18H30","All.Compound.Names":"3-phenyldodecane|Dtxsid40862922","logHenry":-4.031,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.099,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.04215,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.981,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.003,"MP.Reference":"EPA-CCD-OPERA","MW":246.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2400-00-2"}
{"Compound":"1-isopropoxy-2-propanol","CAS":"3944-36-3","CAS.Checksum":true,"DTXSID":"DTXSID40863297","Formula":"C6H14O2","All.Compound.Names":"1-isopropoxy-2-propanol|Dtxsid40863297|3944-36-3","logHenry":-6.068,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6707,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.797,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5223,"logWSol.Reference":"EPA-CCD-OPERA","MP":-51.12,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3944-36-3"}
{"Compound":"1,2-hexanediol","CAS":"6920-22-5","CAS.Checksum":true,"DTXSID":"DTXSID40863959","Formula":"C6H14O2","All.Compound.Names":"1,2-hexanediol|Dtxsid40863959|6920-22-5","logHenry":-6.964,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8298,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.581,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.388,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.17,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6920-22-5"}
{"Compound":"Cyclohexanone, 5-methyl-2-(1-methylethenyl)-","CAS":"529-00-0","CAS.Checksum":true,"DTXSID":"DTXSID40865498","Formula":"C10H16O","All.Compound.Names":"Cyclohexanone, 5-methyl-2-(1-methylethenyl)-|Dtxsid40865498","logHenry":-4.258,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.04,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.943,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.999,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.613,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"529-00-0"}
{"Compound":"Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl ester","CAS":"74367-33-2","CAS.Checksum":true,"DTXSID":"DTXSID40868303","Formula":"C12H24O3","All.Compound.Names":"Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl ester|Dtxsid40868303|74367-33-2","logHenry":-7.695,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.939,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.819,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.068,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.388,"MP.Reference":"EPA-CCD-OPERA","MW":216.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74367-33-2"}
{"Compound":"1,1'-(3-methyl-1-propene-1,3-diyl)bis-benzene","CAS":"7614-93-9","CAS.Checksum":true,"DTXSID":"DTXSID40871195","Formula":"C16H16","All.Compound.Names":"1,1'-(3-methyl-1-propene-1,3-diyl)bis-benzene|Dtxsid40871195","logHenry":-3.993,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.792,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.722,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.869,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.65,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7614-93-9"}
{"Compound":"1-heptene, 5-methyl-","CAS":"13151-04-7","CAS.Checksum":true,"DTXSID":"DTXSID40871211","Formula":"C8H16","All.Compound.Names":"1-heptene, 5-methyl-|Dtxsid40871211","logHenry":-0.7321,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.403,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5263,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.378,"logWSol.Reference":"EPA-CCD-OPERA","MP":-124.4,"MP.Reference":"EPA-CCD-OPERA","MW":112.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13151-04-7"}
{"Compound":"Decahydro-1-methyl-2-methylenenaphthalene","CAS":"90548-09-7","CAS.Checksum":true,"DTXSID":"DTXSID40873316","Formula":"C12H20","All.Compound.Names":"Decahydro-1-methyl-2-methylenenaphthalene|Dtxsid40873316","logHenry":-1.817,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.635,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.056,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.417,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.102,"MP.Reference":"EPA-CCD-OPERA","MW":164.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90548-09-7"}
{"Compound":"Benzene, (1-butylheptyl)-","CAS":"4537-15-9","CAS.Checksum":true,"DTXSID":"DTXSID40874984","Formula":"C17H28","All.Compound.Names":"Benzene, (1-butylheptyl)-|Dtxsid40874984","logHenry":-2.686,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.455,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3537,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.953,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.966,"MP.Reference":"EPA-CCD-OPERA","MW":232.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4537-15-9"}
{"Compound":"Chlordiazepoxide hydrochloride","CAS":"438-41-5","CAS.Checksum":true,"DTXSID":"DTXSID40880060","Formula":"C16H15Cl2N3O","All.Compound.Names":"Chlordiazepoxide hydrochloride|Dtxsid40880060|438-41-5","logHenry":-9.449,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.07498,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.6,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.184,"logWSol.Reference":"EPA-CCD-OPERA","MP":195.9,"MP.Reference":"EPA-CCD-OPERA","MW":336.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"438-41-5"}
{"Compound":"Cyclooctane, 1,4-dimethyl-, trans-","CAS":"13151-98-9","CAS.Checksum":true,"DTXSID":"DTXSID40880641","Formula":"C10H20","All.Compound.Names":"Cyclooctane, 1,4-dimethyl-, trans-|Dtxsid40880641","logHenry":-1.162,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.056,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.7473,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.701,"logWSol.Reference":"EPA-CCD-OPERA","MP":-110.7,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13151-98-9"}
{"Compound":"Pentasiloxane, 1,1,3,3,5,5,7,7,9,9-decamethyl-","CAS":"995-83-5","CAS.Checksum":true,"DTXSID":"DTXSID40880646","Formula":"C10H32O4Si5","All.Compound.Names":"Pentasiloxane, 1,1,3,3,5,5,7,7,9,9-decamethyl-|Dtxsid40880646","logHenry":0.9881,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.747,"logP.Reference":"EPA-CCD-OPERA","logPwa":-3.316,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.517,"logWSol.Reference":"EPA-CCD-OPERA","MP":-37.42,"MP.Reference":"EPA-CCD-OPERA","MW":356.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"995-83-5"}
{"Compound":"1,4-pentadiene, 3-propyl-","CAS":"996-83-8","CAS.Checksum":true,"DTXSID":"DTXSID40880661","Formula":"C8H14","All.Compound.Names":"1,4-pentadiene, 3-propyl-|Dtxsid40880661","logHenry":-0.9242,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.103,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.7166,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.257,"logWSol.Reference":"EPA-CCD-OPERA","MP":-111.1,"MP.Reference":"EPA-CCD-OPERA","MW":110.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"996-83-8"}
{"Compound":"1,9-tetradecadiene","CAS":"112929-06-3","CAS.Checksum":true,"DTXSID":"DTXSID40880666","Formula":"C14H26","All.Compound.Names":"1,9-tetradecadiene|Dtxsid40880666","logHenry":-1.97,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.815,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4558,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.379,"logWSol.Reference":"EPA-CCD-OPERA","MP":-54.35,"MP.Reference":"EPA-CCD-OPERA","MW":194.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112929-06-3"}
{"Compound":"5-undecene, 7-methyl-, (e)-","CAS":"74630-66-3","CAS.Checksum":true,"DTXSID":"DTXSID40880681","Formula":"C12H24","All.Compound.Names":"5-undecene, 7-methyl-, (e)-|Dtxsid40880681","logHenry":-1.178,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.841,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6346,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.522,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.63,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74630-66-3"}
{"Compound":"2,4-diphenyl-4-methyl-2(e)-pentene","CAS":"22768-22-5","CAS.Checksum":true,"DTXSID":"DTXSID40880686","Formula":"C18H20","All.Compound.Names":"2,4-diphenyl-4-methyl-2(e)-pentene|Dtxsid40880686","logHenry":-4.577,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.297,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.906,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.451,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.54,"MP.Reference":"EPA-CCD-OPERA","MW":236.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22768-22-5"}
{"Compound":"Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1s-cis)-","CAS":"483-77-2","CAS.Checksum":true,"DTXSID":"DTXSID40880702","Formula":"C15H22","All.Compound.Names":"Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1s-cis)-|Dtxsid40880702","logHenry":-2.144,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.403,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.474,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.449,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.25,"MP.Reference":"EPA-CCD-OPERA","MW":202.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"483-77-2"}
{"Compound":"2-methyl-3-decanol","CAS":"83909-79-9","CAS.Checksum":true,"DTXSID":"DTXSID40880707","Formula":"C11H24O","All.Compound.Names":"2-methyl-3-decanol|Dtxsid40880707|83909-79-9","logHenry":-4.707,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.607,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.867,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.816,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.29,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"83909-79-9"}
{"Compound":"Cholesta-4,6-dien-3-ol, (3.beta.)-","CAS":"14214-69-8","CAS.Checksum":true,"DTXSID":"DTXSID40880722","Formula":"C27H44O","All.Compound.Names":"Cholesta-4,6-dien-3-ol, (3.beta.)-|Dtxsid40880722|14214-69-8","logHenry":-7.499,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.267,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.156,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.459,"logWSol.Reference":"EPA-CCD-OPERA","MP":138,"MP.Reference":"EPA-CCD-OPERA","MW":384.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14214-69-8"}
{"Compound":"1-(3-methylbutyl)-2,3,6-trimethylbenzene","CAS":"84651-14-9","CAS.Checksum":true,"DTXSID":"DTXSID40880727","Formula":"C14H22","All.Compound.Names":"1-(3-methylbutyl)-2,3,6-trimethylbenzene|Dtxsid40880727","logHenry":-2.246,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.85,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.712,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.767,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.48,"MP.Reference":"EPA-CCD-OPERA","MW":190.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84651-14-9"}
{"Compound":"5-methyl-1-heptanol","CAS":"7212-53-5","CAS.Checksum":true,"DTXSID":"DTXSID40880742","Formula":"C8H18O","All.Compound.Names":"5-methyl-1-heptanol|Dtxsid40880742|7212-53-5","logHenry":-4.405,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.894,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.879,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.212,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.74,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7212-53-5"}
{"Compound":"Octane, 2,3,7-trimethyl-","CAS":"62016-34-6","CAS.Checksum":true,"DTXSID":"DTXSID40880747","Formula":"C11H24","All.Compound.Names":"Octane, 2,3,7-trimethyl-|Dtxsid40880747","logHenry":-0.8121,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.239,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8137,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.426,"logWSol.Reference":"EPA-CCD-OPERA","MP":-115.1,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62016-34-6"}
{"Compound":"2-propanol, 1-(2-propenyloxy)-","CAS":"21460-36-6","CAS.Checksum":true,"DTXSID":"DTXSID40880762","Formula":"C6H12O2","All.Compound.Names":"2-propanol, 1-(2-propenyloxy)-|Dtxsid40880762|21460-36-6","logHenry":-6.045,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4167,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.255,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5897,"logWSol.Reference":"EPA-CCD-OPERA","MP":-33.85,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21460-36-6"}
{"Compound":"3-tridecene, (z)-","CAS":"41446-53-1","CAS.Checksum":true,"DTXSID":"DTXSID40880767","Formula":"C13H26","All.Compound.Names":"3-tridecene, (z)-|Dtxsid40880767","logHenry":-1.888,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.88,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.09695,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.519,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.58,"MP.Reference":"EPA-CCD-OPERA","MW":182.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41446-53-1"}
{"Compound":"Pyridine, 2,3,4,5-tetramethyl-6-phenyl-","CAS":"80206-51-5","CAS.Checksum":true,"DTXSID":"DTXSID40880782","Formula":"C15H17N","All.Compound.Names":"Pyridine, 2,3,4,5-tetramethyl-6-phenyl-|Dtxsid40880782|80206-51-5","logHenry":-3.903,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.969,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.444,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.068,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.17,"MP.Reference":"EPA-CCD-OPERA","MW":211.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.26","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80206-51-5"}
{"Compound":"1h-indene, 2,3-dihydro-1,5,7-trimethyl-","CAS":"54340-88-4","CAS.Checksum":true,"DTXSID":"DTXSID40880787","Formula":"C12H16","All.Compound.Names":"1h-indene, 2,3-dihydro-1,5,7-trimethyl-|Dtxsid40880787|1,5,7-trimethylindan","logHenry":-1.719,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.34,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.218,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.712,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.45,"MP.Reference":"EPA-CCD-OPERA","MW":160.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54340-88-4"}
{"Compound":"Anthracene, 9-ethyl-9,10-dihydro-10-methyl-","CAS":"36778-20-8","CAS.Checksum":true,"DTXSID":"DTXSID40880803","Formula":"C17H18","All.Compound.Names":"Anthracene, 9-ethyl-9,10-dihydro-10-methyl-|Dtxsid40880803","logHenry":-3.809,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.06,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.364,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.212,"logWSol.Reference":"EPA-CCD-OPERA","MP":99.19,"MP.Reference":"EPA-CCD-OPERA","MW":222.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36778-20-8"}
{"Compound":"Benzo[b]naphtho[2,3-d]thiophene, 6,8-dimethyl-","CAS":"24964-16-7","CAS.Checksum":true,"DTXSID":"DTXSID40880808","Formula":"C18H14S","All.Compound.Names":"Benzo[b]naphtho[2,3-d]thiophene, 6,8-dimethyl-|Dtxsid40880808","logHenry":-5.307,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.839,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.981,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.563,"logWSol.Reference":"EPA-CCD-OPERA","MP":140.8,"MP.Reference":"EPA-CCD-OPERA","MW":262.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24964-16-7"}
{"Compound":"Cyclopropene, 3,3-diethyl-","CAS":"78578-86-6","CAS.Checksum":true,"DTXSID":"DTXSID40880823","Formula":"C7H12","All.Compound.Names":"Cyclopropene, 3,3-diethyl-|Dtxsid40880823","logHenry":-1.2,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.261,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2964,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":-129.1,"MP.Reference":"EPA-CCD-OPERA","MW":96.17,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78578-86-6"}
{"Compound":"Bicyclo[2.2.1]heptane, 2-ethyl-","CAS":"2146-41-0","CAS.Checksum":true,"DTXSID":"DTXSID40880828","Formula":"C9H16","All.Compound.Names":"Bicyclo[2.2.1]heptane, 2-ethyl-|Dtxsid40880828","logHenry":-1.319,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.468,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.02727,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.656,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.38,"MP.Reference":"EPA-CCD-OPERA","MW":124.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2146-41-0"}
{"Compound":"Hexadecen-1-ol, trans-9-","CAS":"64437-47-4","CAS.Checksum":true,"DTXSID":"DTXSID40880843","Formula":"C16H32O","All.Compound.Names":"Hexadecen-1-ol, trans-9-|Dtxsid40880843|64437-47-4","logHenry":-4.845,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.578,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.168,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.436,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.33,"MP.Reference":"EPA-CCD-OPERA","MW":240.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64437-47-4"}
{"Compound":"7-pentadecyne","CAS":"22089-89-0","CAS.Checksum":true,"DTXSID":"DTXSID40880848","Formula":"C15H28","All.Compound.Names":"7-pentadecyne|Dtxsid40880848","logHenry":-2.867,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.832,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4721,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.976,"logWSol.Reference":"EPA-CCD-OPERA","MP":-68.45,"MP.Reference":"EPA-CCD-OPERA","MW":208.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22089-89-0"}
{"Compound":"4-hexadecen-6-yne, (z)-","CAS":"74744-54-0","CAS.Checksum":true,"DTXSID":"DTXSID40880863","Formula":"C16H28","All.Compound.Names":"4-hexadecen-6-yne, (z)-|Dtxsid40880863","logHenry":-2.908,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.054,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1767,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.224,"logWSol.Reference":"EPA-CCD-OPERA","MP":-37.95,"MP.Reference":"EPA-CCD-OPERA","MW":220.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74744-54-0"}
{"Compound":"(2e)-2-tridecen-1-ol","CAS":"74962-98-4","CAS.Checksum":true,"DTXSID":"DTXSID40880868","Formula":"C13H26O","All.Compound.Names":"(2e)-2-tridecen-1-ol|Dtxsid40880868|74962-98-4","logHenry":-4.689,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.198,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.569,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.855,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.26,"MP.Reference":"EPA-CCD-OPERA","MW":198.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74962-98-4"}
{"Compound":"1,2-cyclobutanedicarbonitrile, trans-","CAS":"3211-20-9","CAS.Checksum":true,"DTXSID":"DTXSID40880883","Formula":"C6H6N2","All.Compound.Names":"1,2-cyclobutanedicarbonitrile, trans-|Dtxsid40880883","logHenry":-7.027,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.242,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.393,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1089,"logWSol.Reference":"EPA-CCD-OPERA","MP":49.2,"MP.Reference":"EPA-CCD-OPERA","MW":106.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3211-20-9"}
{"Compound":"Hexadecanoic acid, 2,3-bis(acetyloxy)propyl ester","CAS":"55268-70-7","CAS.Checksum":true,"DTXSID":"DTXSID40880888","Formula":"C23H42O6","All.Compound.Names":"Hexadecanoic acid, 2,3-bis(acetyloxy)propyl ester|Dtxsid40880888","logHenry":-7.023,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.348,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.376,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.317,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.91,"MP.Reference":"EPA-CCD-OPERA","MW":414.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55268-70-7"}
{"Compound":"2-methoxybenzoic acid, cyclohexyl ester","CAS":"107952-97-6","CAS.Checksum":true,"DTXSID":"DTXSID40880904","Formula":"C14H18O3","All.Compound.Names":"2-methoxybenzoic acid, cyclohexyl ester|Dtxsid40880904","logHenry":-7.029,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.336,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.048,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.951,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.33,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"107952-97-6"}
{"Compound":"Oxacyclotetradecane-2,11-dione, 13-methyl-","CAS":"74685-36-2","CAS.Checksum":true,"DTXSID":"DTXSID40880909","Formula":"C14H24O3","All.Compound.Names":"Oxacyclotetradecane-2,11-dione, 13-methyl-|Dtxsid40880909","logHenry":-7.507,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.362,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.163,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.951,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.6,"MP.Reference":"EPA-CCD-OPERA","MW":240.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74685-36-2"}
{"Compound":"4a(2h)-naphthalenemethanol, octahydro-","CAS":"99992-19-5","CAS.Checksum":true,"DTXSID":"DTXSID40880924","Formula":"C11H20O","All.Compound.Names":"4a(2h)-naphthalenemethanol, octahydro-|Dtxsid40880924|99992-19-5","logHenry":-5.736,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.184,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.167,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.721,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.62,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99992-19-5"}
{"Compound":"Heptanoic acid, 2-ethyl-","CAS":"3274-29-1","CAS.Checksum":true,"DTXSID":"DTXSID40880929","Formula":"C9H18O2","All.Compound.Names":"Heptanoic acid, 2-ethyl-|Dtxsid40880929|3274-29-1","logHenry":-5.811,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.067,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.739,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.378,"logWSol.Reference":"EPA-CCD-OPERA","MP":81.74,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3274-29-1"}
{"Compound":"Cis-(+/-)-4-thujanol","CAS":"15537-55-0","CAS.Checksum":true,"DTXSID":"DTXSID40881214","Formula":"C10H18O","All.Compound.Names":"Cis-(+/-)-4-thujanol|Dtxsid40881214|Cis-sabinene hydrate|15537-55-0","logHenry":-4.87,"logHenry.Reference":"OPERA29","logP":3.08,"logP.Reference":"OPERA29","logWSol":-2.21,"logWSol.Reference":"OPERA29","MP":113,"MP.Reference":"OPERA29","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15537-55-0"}
{"Compound":"Pomalidomide","CAS":"19171-19-8","CAS.Checksum":true,"DTXSID":"DTXSID40893458","Formula":"C13H11N3O4","All.Compound.Names":"Pomalidomide|Dtxsid40893458|19171-19-8","logHenry":-9.416,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1891,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.697,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.48,"logWSol.Reference":"EPA-CCD-OPERA","MP":186.1,"MP.Reference":"EPA-CCD-OPERA","MW":273.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.09","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19171-19-8"}
{"Compound":"1,2,3-benzenetricarboxylic acid dihydrate","CAS":"36362-97-7","CAS.Checksum":true,"DTXSID":"DTXSID501018140","Formula":"C9H10O8","All.Compound.Names":"1,2,3-benzenetricarboxylic acid dihydrate|Dtxsid501018140|36362-97-7","logHenry":-9.844,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2683,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.054,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.091,"logWSol.Reference":"EPA-CCD-OPERA","MP":210.8,"MP.Reference":"EPA-CCD-OPERA","MW":246.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36362-97-7"}
{"Compound":"Atorvastatin calcium trihydrate","CAS":"344423-98-9","CAS.Checksum":true,"DTXSID":"DTXSID50110042","Formula":"C66H74CaF2N4O13","All.Compound.Names":"Atorvastatin calcium trihydrate|Dtxsid50110042|344423-98-9","logHenry":-10.96,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.982,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.534,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.172,"logWSol.Reference":"EPA-CCD-OPERA","MP":174.4,"MP.Reference":"EPA-CCD-OPERA","MW":1209,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"344423-98-9"}
{"Compound":"5-isopropyl-1,2,4-trimethylbenzene","CAS":"10222-95-4","CAS.Checksum":true,"DTXSID":"DTXSID50144802","Formula":"C12H18","All.Compound.Names":"5-isopropyl-1,2,4-trimethylbenzene|Dtxsid50144802","logHenry":-1.957,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.165,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.391,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.092,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.67,"MP.Reference":"EPA-CCD-OPERA","MW":162.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10222-95-4"}
{"Compound":"2,5,8,11,14,17,20-heptaoxahenicosane","CAS":"1072-40-8","CAS.Checksum":true,"DTXSID":"DTXSID50147939","Formula":"C14H30O7","All.Compound.Names":"2,5,8,11,14,17,20-heptaoxahenicosane|Dtxsid50147939","logHenry":-4.974,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1879,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.059,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.124,"logWSol.Reference":"EPA-CCD-OPERA","MP":-51.92,"MP.Reference":"EPA-CCD-OPERA","MW":310.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1072-40-8"}
{"Compound":"(-)-noradrenaline (+)-bitartrate","CAS":"51-40-1","CAS.Checksum":true,"DTXSID":"DTXSID50148507","Formula":"C12H17NO9","All.Compound.Names":"(-)-noradrenaline (+)-bitartrate|Dtxsid50148507|51-40-1","logHenry":-9.88,"logHenry.Reference":"OPERA29","logP":3.47,"logP.Reference":"OPERA29","logWSol":0.7,"logWSol.Reference":"OPERA29","MP":82,"MP.Reference":"OPERA29","MW":319.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.99","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"51-40-1"}
{"Compound":"Heptane, 2,5,5-trimethyl-","CAS":"1189-99-7","CAS.Checksum":true,"DTXSID":"DTXSID50152260","Formula":"C10H22","All.Compound.Names":"Heptane, 2,5,5-trimethyl-|Dtxsid50152260","logHenry":-0.6094,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.268,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.332,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.237,"logWSol.Reference":"EPA-CCD-OPERA","MP":-105.4,"MP.Reference":"EPA-CCD-OPERA","MW":142.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1189-99-7"}
{"Compound":"1-methylcyclopentanol","CAS":"1462-03-9","CAS.Checksum":true,"DTXSID":"DTXSID50163295","Formula":"C6H12O","All.Compound.Names":"1-methylcyclopentanol|Dtxsid50163295|1462-03-9","logHenry":-5.264,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.625,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4814,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.93,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1462-03-9"}
{"Compound":"Octadecane, 2-methyl-","CAS":"1560-88-9","CAS.Checksum":true,"DTXSID":"DTXSID50166024","Formula":"C19H40","All.Compound.Names":"Octadecane, 2-methyl-|Dtxsid50166024","logHenry":-5.258,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.232,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5823,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.189,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.17,"MP.Reference":"EPA-CCD-OPERA","MW":268.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1560-88-9"}
{"Compound":"Pentadecanenitrile","CAS":"18300-91-9","CAS.Checksum":true,"DTXSID":"DTXSID50171375","Formula":"C15H29N","All.Compound.Names":"Pentadecanenitrile|Dtxsid50171375","logHenry":-5.049,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.634,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7475,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.999,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.71,"MP.Reference":"EPA-CCD-OPERA","MW":223.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18300-91-9"}
{"Compound":"1,4,5-trimethylnaphthalene","CAS":"2131-41-1","CAS.Checksum":true,"DTXSID":"DTXSID50175575","Formula":"C13H14","All.Compound.Names":"1,4,5-trimethylnaphthalene|Dtxsid50175575","logHenry":-3.236,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.898,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.84,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.915,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.72,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2131-41-1"}
{"Compound":"Cyclotridecane","CAS":"295-02-3","CAS.Checksum":true,"DTXSID":"DTXSID50183695","Formula":"C13H26","All.Compound.Names":"Cyclotridecane|Dtxsid50183695","logHenry":-1.19,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.002,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5596,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.414,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61,"MP.Reference":"EPA-CCD-OPERA","MW":182.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"295-02-3"}
{"Compound":"4-methylpyrene","CAS":"3353-12-6","CAS.Checksum":true,"DTXSID":"DTXSID50187178","Formula":"C17H12","All.Compound.Names":"4-methylpyrene|Dtxsid50187178","logHenry":-4.944,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.474,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.525,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.901,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.6,"MP.Reference":"EPA-CCD-OPERA","MW":216.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3353-12-6"}
{"Compound":"17-octadecynoic acid","CAS":"34450-18-5","CAS.Checksum":true,"DTXSID":"DTXSID50188024","Formula":"C18H32O2","All.Compound.Names":"17-octadecynoic acid|Dtxsid50188024|34450-18-5","logHenry":-7.713,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.002,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.376,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.226,"logWSol.Reference":"EPA-CCD-OPERA","MP":23.25,"MP.Reference":"EPA-CCD-OPERA","MW":280.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34450-18-5"}
{"Compound":"Benzo(b)naphtho(2,1-d)thiophene, 3-methyl-","CAS":"4567-45-7","CAS.Checksum":true,"DTXSID":"DTXSID50196583","Formula":"C17H12S","All.Compound.Names":"Benzo(b)naphtho(2,1-d)thiophene, 3-methyl-|Dtxsid50196583","logHenry":-4.868,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.484,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.703,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.577,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.9,"MP.Reference":"EPA-CCD-OPERA","MW":248.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4567-45-7"}
{"Compound":"Ricinine","CAS":"524-40-3","CAS.Checksum":true,"DTXSID":"DTXSID50200412","Formula":"C8H8N2O2","All.Compound.Names":"Ricinine|Dtxsid50200412|524-40-3","logHenry":-6.972,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.5725,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.89,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7601,"logWSol.Reference":"EPA-CCD-OPERA","MP":201.2,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"524-40-3"}
{"Compound":"Undecylcyclohexane","CAS":"54105-66-7","CAS.Checksum":true,"DTXSID":"DTXSID50202451","Formula":"C17H34","All.Compound.Names":"Undecylcyclohexane|Dtxsid50202451","logHenry":-3.566,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.375,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.04079,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.341,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.5,"MP.Reference":"EPA-CCD-OPERA","MW":238.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54105-66-7"}
{"Compound":"1-chloro-2-propanol","CAS":"127-00-4","CAS.Checksum":true,"DTXSID":"DTXSID5020285","Formula":"C3H7ClO","All.Compound.Names":"1-chloro-2-propanol|Dtxsid5020285|127-00-4","logHenry":-5.203,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.7093,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.351,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.07685,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.4,"MP.Reference":"EPA-CCD-OPERA","MW":94.54,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127-00-4"}
{"Compound":"2-methyl-1-propylnaphthalene","CAS":"54774-89-9","CAS.Checksum":true,"DTXSID":"DTXSID50203241","Formula":"C14H16","All.Compound.Names":"2-methyl-1-propylnaphthalene|Dtxsid50203241","logHenry":-3.273,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.984,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.268,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.87,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.02,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54774-89-9"}
{"Compound":"2,2,4-trimethylpent-3-en-1-ol","CAS":"5842-53-5","CAS.Checksum":true,"DTXSID":"DTXSID50207128","Formula":"C8H16O","All.Compound.Names":"2,2,4-trimethylpent-3-en-1-ol|Dtxsid50207128|5842-53-5","logHenry":-5.617,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.398,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.571,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.099,"logWSol.Reference":"EPA-CCD-OPERA","MP":-63.42,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5842-53-5"}
{"Compound":"Chloroiodomethane","CAS":"593-71-5","CAS.Checksum":true,"DTXSID":"DTXSID50208034","Formula":"CH2ClI","All.Compound.Names":"Chloroiodomethane|Dtxsid50208034","logHenry":-3.059,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.993,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1775,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.043,"logWSol.Reference":"EPA-CCD-OPERA","MP":-69.37,"MP.Reference":"EPA-CCD-OPERA","MW":176.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"593-71-5"}
{"Compound":"1,3-dimethylpyrene","CAS":"64401-21-4","CAS.Checksum":true,"DTXSID":"DTXSID50214655","Formula":"C18H14","All.Compound.Names":"1,3-dimethylpyrene|Dtxsid50214655","logHenry":-4.947,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.501,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.868,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.637,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.4,"MP.Reference":"EPA-CCD-OPERA","MW":230.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"64401-21-4"}
{"Compound":"Perfluoroglutaryl difluoride","CAS":"678-78-4","CAS.Checksum":true,"DTXSID":"DTXSID50218052","Formula":"C5F8O2","All.Compound.Names":"Perfluoroglutaryl difluoride|Dtxsid50218052","logHenry":-3.901,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.198,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4461,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.486,"logWSol.Reference":"EPA-CCD-OPERA","MP":-70.42,"MP.Reference":"EPA-CCD-OPERA","MW":244,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"678-78-4"}
{"Compound":"4-phenylpyridine","CAS":"939-23-1","CAS.Checksum":true,"DTXSID":"DTXSID5022140","Formula":"C11H9N","All.Compound.Names":"4-phenylpyridine|Dtxsid5022140|939-23-1","logHenry":-3.952,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.59,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.513,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.525,"logWSol.Reference":"EPA-CCD-OPERA","MP":86.29,"MP.Reference":"EPA-CCD-OPERA","MW":155.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"939-23-1"}
{"Compound":"Dodecanamide","CAS":"1120-16-7","CAS.Checksum":true,"DTXSID":"DTXSID5022146","Formula":"C12H25NO","All.Compound.Names":"Dodecanamide|Dtxsid5022146|1120-16-7","logHenry":-6.82,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.641,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.948,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.583,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.9,"MP.Reference":"EPA-CCD-OPERA","MW":199.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1120-16-7"}
{"Compound":"Phenanthrene, 2,4,5,7-tetramethyl- (8ci)(9ci)","CAS":"7396-38-5","CAS.Checksum":true,"DTXSID":"DTXSID50224693","Formula":"C18H18","All.Compound.Names":"Phenanthrene, 2,4,5,7-tetramethyl- (8ci)(9ci)|Dtxsid50224693","logHenry":-4.584,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.018,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.576,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.62,"logWSol.Reference":"EPA-CCD-OPERA","MP":107.3,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7396-38-5"}
{"Compound":"Vinyl benzoate","CAS":"769-78-8","CAS.Checksum":true,"DTXSID":"DTXSID50227700","Formula":"C9H8O2","All.Compound.Names":"Vinyl benzoate|Dtxsid50227700","logHenry":-7.193,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.037,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.553,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.128,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.063,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"769-78-8"}
{"Compound":"Trichloro((perfluorohexyl)ethyl)silane","CAS":"78560-45-9","CAS.Checksum":true,"DTXSID":"DTXSID50229163","Formula":"C8H4Cl3F13Si","All.Compound.Names":"Trichloro((perfluorohexyl)ethyl)silane|Dtxsid50229163","logHenry":-2.955,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.5,"logP.Reference":"EPA-CCD-OPERA","logPwa":-2.566,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.652,"logWSol.Reference":"EPA-CCD-OPERA","MP":4.823,"MP.Reference":"EPA-CCD-OPERA","MW":481.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"78560-45-9"}
{"Compound":"Ammonium acetate","CAS":"631-61-8","CAS.Checksum":true,"DTXSID":"DTXSID5023873","Formula":"C2H7NO2","All.Compound.Names":"Ammonium acetate|Dtxsid5023873|631-61-8","logHenry":-6.998,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7542,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.985,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.1,"MP.Reference":"EPA-CCD-OPERA","MW":77.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"631-61-8"}
{"Compound":"Laurylethanolamide","CAS":"142-78-9","CAS.Checksum":true,"DTXSID":"DTXSID5025493","Formula":"C14H29NO2","All.Compound.Names":"Laurylethanolamide|Dtxsid5025493","logHenry":-8.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.2,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.806,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.91,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.66,"MP.Reference":"EPA-CCD-OPERA","MW":243.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142-78-9"}
{"Compound":"Perfluorooctanesulfonyl fluoride","CAS":"307-35-7","CAS.Checksum":true,"DTXSID":"DTXSID5027140","Formula":"C8F18O2S","All.Compound.Names":"Perfluorooctanesulfonyl fluoride|Dtxsid5027140","logHenry":-5.239,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.221,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.895,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.763,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.57,"MP.Reference":"EPA-CCD-OPERA","MW":502.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"307-35-7"}
{"Compound":"2-methyl-6-methylene-7-octen-2-ol","CAS":"543-39-5","CAS.Checksum":true,"DTXSID":"DTXSID5027192","Formula":"C10H18O","All.Compound.Names":"2-methyl-6-methylene-7-octen-2-ol|Dtxsid5027192|543-39-5","logHenry":-5.25,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.224,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.183,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.372,"logWSol.Reference":"EPA-CCD-OPERA","MP":-32.54,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"543-39-5"}
{"Compound":"N-tert-octylacrylamide","CAS":"4223-03-4","CAS.Checksum":true,"DTXSID":"DTXSID5027564","Formula":"C11H21NO","All.Compound.Names":"N-tert-octylacrylamide|Dtxsid5027564|4223-03-4","logHenry":-6.633,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.583,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.18,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.643,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.58,"MP.Reference":"EPA-CCD-OPERA","MW":183.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4223-03-4"}
{"Compound":"1,3-diphenylpropanetrione","CAS":"643-75-4","CAS.Checksum":true,"DTXSID":"DTXSID50279249","Formula":"C15H10O3","All.Compound.Names":"1,3-diphenylpropanetrione|Dtxsid50279249","logHenry":-7.788,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.777,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.131,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.483,"logWSol.Reference":"EPA-CCD-OPERA","MP":133.6,"MP.Reference":"EPA-CCD-OPERA","MW":238.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"643-75-4"}
{"Compound":"1-docosene","CAS":"1599-67-3","CAS.Checksum":true,"DTXSID":"DTXSID5029219","Formula":"C22H44","All.Compound.Names":"1-docosene|Dtxsid5029219","logHenry":-6.046,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.453,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3667,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.058,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.64,"MP.Reference":"EPA-CCD-OPERA","MW":308.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1599-67-3"}
{"Compound":"1,7-dicyclopentyl-4-n-octylheptane","CAS":"7225-68-5","CAS.Checksum":true,"DTXSID":"DTXSID50303932","Formula":"C25H48","All.Compound.Names":"1,7-dicyclopentyl-4-n-octylheptane|Dtxsid50303932","logHenry":-6.424,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.041,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.478,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.055,"logWSol.Reference":"EPA-CCD-OPERA","MP":-62.2,"MP.Reference":"EPA-CCD-OPERA","MW":348.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7225-68-5"}
{"Compound":"1,2-dichloro-1,1-difluoroethane","CAS":"1649-08-7","CAS.Checksum":true,"DTXSID":"DTXSID5031393","Formula":"C2H2Cl2F2","All.Compound.Names":"1,2-dichloro-1,1-difluoroethane|Dtxsid5031393","logHenry":-1.608,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.978,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.4157,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.202,"logWSol.Reference":"EPA-CCD-OPERA","MP":-101.4,"MP.Reference":"EPA-CCD-OPERA","MW":134.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1649-08-7"}
{"Compound":"2,7-dimethylundecane","CAS":"17301-24-5","CAS.Checksum":true,"DTXSID":"DTXSID50333991","Formula":"C13H28","All.Compound.Names":"2,7-dimethylundecane|Dtxsid50333991","logHenry":-0.72,"logHenry.Reference":"OPERA29","logP":6.74,"logP.Reference":"OPERA29","logWSol":-7.33,"logWSol.Reference":"OPERA29","MP":-66,"MP.Reference":"OPERA29","MW":184.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17301-24-5"}
{"Compound":"4,7-dimethylundecane","CAS":"17301-32-5","CAS.Checksum":true,"DTXSID":"DTXSID50333996","Formula":"C13H28","All.Compound.Names":"4,7-dimethylundecane|Dtxsid50333996","logHenry":-0.8378,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.508,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6344,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.862,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.77,"MP.Reference":"EPA-CCD-OPERA","MW":184.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17301-32-5"}
{"Compound":"3,3',5,5'-tetramethylbiphenyl","CAS":"25570-02-9","CAS.Checksum":true,"DTXSID":"DTXSID50334281","Formula":"C16H18","All.Compound.Names":"3,3',5,5'-tetramethylbiphenyl|Dtxsid50334281","logHenry":-3.28,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.197,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.886,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.106,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.25,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25570-02-9"}
{"Compound":"1,1,2-trimethyl-3-(2-methylpropyl)cyclopropane","CAS":"41977-43-9","CAS.Checksum":true,"DTXSID":"DTXSID50337691","Formula":"C10H20","All.Compound.Names":"1,1,2-trimethyl-3-(2-methylpropyl)cyclopropane|Dtxsid50337691","logHenry":-1.138,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.856,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.117,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.471,"logWSol.Reference":"EPA-CCD-OPERA","MP":-102.6,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41977-43-9"}
{"Compound":"Ag-g-96882","CAS":"74645-86-6","CAS.Checksum":true,"DTXSID":"DTXSID50337919","Formula":"C11H22","All.Compound.Names":"Ag-g-96882|Dtxsid50337919","logHenry":-1.172,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.709,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8936,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.939,"logWSol.Reference":"EPA-CCD-OPERA","MP":-54.14,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74645-86-6"}
{"Compound":"2,6,8-trimethyldecane","CAS":"62108-26-3","CAS.Checksum":true,"DTXSID":"DTXSID50337934","Formula":"C13H28","All.Compound.Names":"2,6,8-trimethyldecane|Dtxsid50337934","logHenry":-0.8352,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.448,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.9357,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.876,"logWSol.Reference":"EPA-CCD-OPERA","MP":-115.2,"MP.Reference":"EPA-CCD-OPERA","MW":184.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62108-26-3"}
{"Compound":"1-(2-chloroethoxy)butane","CAS":"10503-96-5","CAS.Checksum":true,"DTXSID":"DTXSID50338007","Formula":"C6H13ClO","All.Compound.Names":"1-(2-chloroethoxy)butane|Dtxsid50338007","logHenry":-4.129,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.085,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.655,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.973,"logWSol.Reference":"EPA-CCD-OPERA","MP":-86.1,"MP.Reference":"EPA-CCD-OPERA","MW":136.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10503-96-5"}
{"Compound":"1-(1,2-dimethylpropyl)-1-methyl-2-nonylcyclopropane","CAS":"41977-42-8","CAS.Checksum":true,"DTXSID":"DTXSID50338603","Formula":"C18H36","All.Compound.Names":"1-(1,2-dimethylpropyl)-1-methyl-2-nonylcyclopropane|Dtxsid50338603","logHenry":-2.904,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.491,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.109,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.24,"logWSol.Reference":"EPA-CCD-OPERA","MP":-102.6,"MP.Reference":"EPA-CCD-OPERA","MW":252.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41977-42-8"}
{"Compound":"2,5-dimethyl-3,4-hexanediol","CAS":"22607-11-0","CAS.Checksum":true,"DTXSID":"DTXSID50338966","Formula":"C8H18O2","All.Compound.Names":"2,5-dimethyl-3,4-hexanediol|Dtxsid50338966|22607-11-0","logHenry":-6.913,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.43,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.159,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.304,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.21,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22607-11-0"}
{"Compound":"Fadrozole","CAS":"102676-47-1","CAS.Checksum":true,"DTXSID":"DTXSID5034141","Formula":"C14H13N3","All.Compound.Names":"Fadrozole|Dtxsid5034141|102676-47-1","logHenry":-4.629,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.597,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.357,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.433,"logWSol.Reference":"EPA-CCD-OPERA","MP":105.1,"MP.Reference":"EPA-CCD-OPERA","MW":223.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.76","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102676-47-1"}
{"Compound":"5h-cyclopenta[b]pyridine","CAS":"270-91-7","CAS.Checksum":true,"DTXSID":"DTXSID50341819","Formula":"C8H7N","All.Compound.Names":"5h-cyclopenta[b]pyridine|Dtxsid50341819|270-91-7","logHenry":-5.031,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.649,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.787,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2927,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.69,"MP.Reference":"EPA-CCD-OPERA","MW":117.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"270-91-7"}
{"Compound":"3-ethoxy-1,1,1,5,5,5-hexamethyl-3-(trimethylsilyloxy)trisiloxane","CAS":"18030-67-6","CAS.Checksum":true,"DTXSID":"DTXSID50347674","Formula":"C11H32O4Si4","All.Compound.Names":"3-ethoxy-1,1,1,5,5,5-hexamethyl-3-(trimethylsilyloxy)trisiloxane|Dtxsid50347674","logHenry":0.9387,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.71,"logP.Reference":"EPA-CCD-OPERA","logPwa":-2.707,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.526,"logWSol.Reference":"EPA-CCD-OPERA","MP":-47.09,"MP.Reference":"EPA-CCD-OPERA","MW":340.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18030-67-6"}
{"Compound":"Glucosamine hydrochloride","CAS":"66-84-2","CAS.Checksum":true,"DTXSID":"DTXSID5037236","Formula":"C6H14ClNO5","All.Compound.Names":"Glucosamine hydrochloride|Dtxsid5037236|66-84-2","logHenry":-8.715,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.375,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.58,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1861,"logWSol.Reference":"EPA-CCD-OPERA","MP":162.2,"MP.Reference":"EPA-CCD-OPERA","MW":215.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"66-84-2"}
{"Compound":"Perfluoro-3,6,9-trioxatridecanoic acid","CAS":"330562-41-9","CAS.Checksum":true,"DTXSID":"DTXSID50375114","Formula":"C10HF19O5","All.Compound.Names":"Perfluoro-3,6,9-trioxatridecanoic acid|Dtxsid50375114|330562-41-9","logHenry":-10.75,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.627,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.141,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.766,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.8,"MP.Reference":"EPA-CCD-OPERA","MW":562.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-2.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"330562-41-9"}
{"Compound":"Methylparaoxon","CAS":"950-35-6","CAS.Checksum":true,"DTXSID":"DTXSID5037571","Formula":"C8H10NO6P","All.Compound.Names":"Methylparaoxon|Dtxsid5037571|950-35-6","logHenry":-6.541,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.332,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.066,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.421,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.6,"MP.Reference":"EPA-CCD-OPERA","MW":247.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"950-35-6"}
{"Compound":"2-vinylperfluorobutane","CAS":"239795-57-4","CAS.Checksum":true,"DTXSID":"DTXSID50379359","Formula":"C6H3F9","All.Compound.Names":"2-vinylperfluorobutane|Dtxsid50379359","logHenry":-2.364,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.009,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.636,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.035,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.57,"MP.Reference":"EPA-CCD-OPERA","MW":246.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"239795-57-4"}
{"Compound":"Bis(1h,1h-perfluoropropyl)amine","CAS":"883498-76-8","CAS.Checksum":true,"DTXSID":"DTXSID50381992","Formula":"C6H5F10N","All.Compound.Names":"Bis(1h,1h-perfluoropropyl)amine|Dtxsid50381992|883498-76-8","logHenry":-3.35,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.848,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3101,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.345,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.398,"MP.Reference":"EPA-CCD-OPERA","MW":281.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"883498-76-8"}
{"Compound":"7:3 fluorotelomer alcohol","CAS":"25600-66-2","CAS.Checksum":true,"DTXSID":"DTXSID50382621","Formula":"C10H7F15O","All.Compound.Names":"7:3 fluorotelomer alcohol|Dtxsid50382621|25600-66-2","logHenry":-9.652,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.407,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2218,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.269,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.1,"MP.Reference":"EPA-CCD-OPERA","MW":428.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"25600-66-2"}
{"Compound":"Trans-urocanic acid","CAS":"3465-72-3","CAS.Checksum":true,"DTXSID":"DTXSID5041148","Formula":"C6H6N2O2","All.Compound.Names":"Trans-urocanic acid|Dtxsid5041148|3465-72-3","logHenry":-9.343,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.01638,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.86,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.957,"logWSol.Reference":"EPA-CCD-OPERA","MP":225,"MP.Reference":"EPA-CCD-OPERA","MW":138.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.17","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"3.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3465-72-3"}
{"Compound":"(z)-9-tetradecenal","CAS":"53939-27-8","CAS.Checksum":true,"DTXSID":"DTXSID5041196","Formula":"C14H26O","All.Compound.Names":"(z)-9-tetradecenal|Dtxsid5041196","logHenry":-4.482,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.774,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.475,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.226,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.95,"MP.Reference":"EPA-CCD-OPERA","MW":210.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53939-27-8"}
{"Compound":"Bis(2-ethylhexyl) ether","CAS":"10143-60-9","CAS.Checksum":true,"DTXSID":"DTXSID5042035","Formula":"C16H34O","All.Compound.Names":"Bis(2-ethylhexyl) ether|Dtxsid5042035","logHenry":-3.366,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.602,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8545,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.203,"logWSol.Reference":"EPA-CCD-OPERA","MP":4.744,"MP.Reference":"EPA-CCD-OPERA","MW":242.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10143-60-9"}
{"Compound":"Hexadecanal","CAS":"629-80-1","CAS.Checksum":true,"DTXSID":"DTXSID5042039","Formula":"C16H32O","All.Compound.Names":"Hexadecanal|Dtxsid5042039","logHenry":-4.991,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.981,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.439,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.536,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.06,"MP.Reference":"EPA-CCD-OPERA","MW":240.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"629-80-1"}
{"Compound":"Perfluoroisobutyl methyl ether","CAS":"163702-08-7","CAS.Checksum":true,"DTXSID":"DTXSID5042326","Formula":"C5H3F9O","All.Compound.Names":"Perfluoroisobutyl methyl ether|Dtxsid5042326","logHenry":-1.983,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.579,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.9837,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.183,"logWSol.Reference":"EPA-CCD-OPERA","MP":-78.17,"MP.Reference":"EPA-CCD-OPERA","MW":250.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"163702-08-7"}
{"Compound":"Gamma-tocopherol","CAS":"7616-22-0","CAS.Checksum":true,"DTXSID":"DTXSID5044075","Formula":"C28H48O2","All.Compound.Names":"Gamma-tocopherol|Dtxsid5044075|7616-22-0","logHenry":-7.298,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.405,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9094,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.214,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.864,"MP.Reference":"EPA-CCD-OPERA","MW":416.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7616-22-0"}
{"Compound":"Methyl 2h,2h,3h,3h-perfluoroheptanoate","CAS":"132424-36-3","CAS.Checksum":true,"DTXSID":"DTXSID50441560","Formula":"C8H7F9O2","All.Compound.Names":"Methyl 2h,2h,3h,3h-perfluoroheptanoate|Dtxsid50441560","logHenry":-2.979,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.093,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.07984,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.724,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.9791,"MP.Reference":"EPA-CCD-OPERA","MW":306.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"132424-36-3"}
{"Compound":"Perfluorohexanesulfonamide","CAS":"41997-13-1","CAS.Checksum":true,"DTXSID":"DTXSID50469320","Formula":"C6H2F13NO2S","All.Compound.Names":"Perfluorohexanesulfonamide|Dtxsid50469320|41997-13-1","logHenry":-9.658,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.249,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8433,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.573,"logWSol.Reference":"EPA-CCD-OPERA","MP":95.66,"MP.Reference":"EPA-CCD-OPERA","MW":399.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.05","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"41997-13-1"}
{"Compound":"Ssr161421","CAS":"477706-73-3","CAS.Checksum":true,"DTXSID":"DTXSID5047374","Formula":"C25H20N4O2","All.Compound.Names":"Ssr161421|Dtxsid5047374|477706-73-3","logHenry":-10.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.023,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.657,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.215,"logWSol.Reference":"EPA-CCD-OPERA","MP":178.2,"MP.Reference":"EPA-CCD-OPERA","MW":408.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.11","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"477706-73-3"}
{"Compound":"Myristyl myristate","CAS":"3234-85-3","CAS.Checksum":true,"DTXSID":"DTXSID5047403","Formula":"C28H56O2","All.Compound.Names":"Myristyl myristate|Dtxsid5047403","logHenry":-6.175,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.126,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.564,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.058,"logWSol.Reference":"EPA-CCD-OPERA","MP":51.84,"MP.Reference":"EPA-CCD-OPERA","MW":424.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3234-85-3"}
{"Compound":"2-[(hydroxymethyl)amino]ethanol","CAS":"65184-12-5","CAS.Checksum":true,"DTXSID":"DTXSID5047532","Formula":"C3H9NO2","All.Compound.Names":"2-[(hydroxymethyl)amino]ethanol|Dtxsid5047532|65184-12-5","logHenry":-7.843,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.544,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.954,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9528,"logWSol.Reference":"EPA-CCD-OPERA","MP":203,"MP.Reference":"EPA-CCD-OPERA","MW":91.11,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65184-12-5"}
{"Compound":"L-dilactide","CAS":"4511-42-6","CAS.Checksum":true,"DTXSID":"DTXSID5049655","Formula":"C6H8O4","All.Compound.Names":"L-dilactide|Dtxsid5049655","logHenry":-8.734,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.743,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.926,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2813,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.4,"MP.Reference":"EPA-CCD-OPERA","MW":144.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4511-42-6"}
{"Compound":"Isopropyl octadecanoate","CAS":"112-10-7","CAS.Checksum":true,"DTXSID":"DTXSID5051579","Formula":"C21H42O2","All.Compound.Names":"Isopropyl octadecanoate|Dtxsid5051579","logHenry":-6.637,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.994,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.197,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.852,"logWSol.Reference":"EPA-CCD-OPERA","MP":28,"MP.Reference":"EPA-CCD-OPERA","MW":326.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-10-7"}
{"Compound":"1-phenyl-1,2-propanedione-2-oxime","CAS":"119-51-7","CAS.Checksum":true,"DTXSID":"DTXSID5051602","Formula":"C9H9NO2","All.Compound.Names":"1-phenyl-1,2-propanedione-2-oxime|Dtxsid5051602","logHenry":-8.671,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.609,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.895,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.323,"logWSol.Reference":"EPA-CCD-OPERA","MP":114,"MP.Reference":"EPA-CCD-OPERA","MW":163.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"119-51-7"}
{"Compound":"2,4,6-tribromoaniline","CAS":"147-82-0","CAS.Checksum":true,"DTXSID":"DTXSID5051733","Formula":"C6H4Br3N","All.Compound.Names":"2,4,6-tribromoaniline|Dtxsid5051733|147-82-0","logHenry":-7.237,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.9,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.163,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.049,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.9,"MP.Reference":"EPA-CCD-OPERA","MW":329.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"147-82-0"}
{"Compound":"3-(ethyl(3-methylphenyl)amino)propanenitrile","CAS":"148-69-6","CAS.Checksum":true,"DTXSID":"DTXSID5051735","Formula":"C12H16N2","All.Compound.Names":"3-(ethyl(3-methylphenyl)amino)propanenitrile|Dtxsid5051735|148-69-6","logHenry":-4.025,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.527,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.722,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.157,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.14,"MP.Reference":"EPA-CCD-OPERA","MW":188.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"148-69-6"}
{"Compound":"Citronellyl acetate","CAS":"150-84-5","CAS.Checksum":true,"DTXSID":"DTXSID5051739","Formula":"C12H22O2","All.Compound.Names":"Citronellyl acetate|Dtxsid5051739","logHenry":-3.699,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.251,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.474,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.014,"logWSol.Reference":"EPA-CCD-OPERA","MP":-41.48,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"150-84-5"}
{"Compound":"Alpha-pinene oxide","CAS":"1686-14-2","CAS.Checksum":true,"DTXSID":"DTXSID5051781","Formula":"C10H16O","All.Compound.Names":"Alpha-pinene oxide|Dtxsid5051781","logHenry":-3.969,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.183,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1289,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.592,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.12,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1686-14-2"}
{"Compound":"2-iodophenol","CAS":"533-58-4","CAS.Checksum":true,"DTXSID":"DTXSID5052175","Formula":"C6H5IO","All.Compound.Names":"2-iodophenol|Dtxsid5052175|533-58-4","logHenry":-6.053,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.652,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.898,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.234,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.95,"MP.Reference":"EPA-CCD-OPERA","MW":220,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.5","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"533-58-4"}
{"Compound":"(z)-hex-3-enyl 2-methylbutyrate","CAS":"53398-85-9","CAS.Checksum":true,"DTXSID":"DTXSID5052177","Formula":"C11H20O2","All.Compound.Names":"(z)-hex-3-enyl 2-methylbutyrate|Dtxsid5052177","logHenry":-3.652,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.998,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.498,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.277,"logWSol.Reference":"EPA-CCD-OPERA","MP":-54.8,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53398-85-9"}
{"Compound":"Dotriacontane","CAS":"544-85-4","CAS.Checksum":true,"DTXSID":"DTXSID5052202","Formula":"C32H66","All.Compound.Names":"Dotriacontane|Dtxsid5052202","logHenry":-6.115,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.413,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.268,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.131,"logWSol.Reference":"EPA-CCD-OPERA","MP":69.73,"MP.Reference":"EPA-CCD-OPERA","MW":450.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"544-85-4"}
{"Compound":"2-methylhexane","CAS":"591-76-4","CAS.Checksum":true,"DTXSID":"DTXSID5052256","Formula":"C7H16","All.Compound.Names":"2-methylhexane|Dtxsid5052256","logHenry":-0.3754,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.088,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.761,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.586,"logWSol.Reference":"EPA-CCD-OPERA","MP":-118.5,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"591-76-4"}
{"Compound":"1-chloro-2-butene","CAS":"591-97-9","CAS.Checksum":true,"DTXSID":"DTXSID5052258","Formula":"C4H7Cl","All.Compound.Names":"1-chloro-2-butene|Dtxsid5052258","logHenry":-2.539,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.508,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2871,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.954,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.64,"MP.Reference":"EPA-CCD-OPERA","MW":90.55,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"591-97-9"}
{"Compound":"Flurazole","CAS":"72850-64-7","CAS.Checksum":true,"DTXSID":"DTXSID5052468","Formula":"C12H7ClF3NO2S","All.Compound.Names":"Flurazole|Dtxsid5052468|72850-64-7","logHenry":-7.648,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.513,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.9,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.807,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.15,"MP.Reference":"EPA-CCD-OPERA","MW":321.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.2","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72850-64-7"}
{"Compound":"Tris(4-methylphenyl) phosphate","CAS":"78-32-0","CAS.Checksum":true,"DTXSID":"DTXSID5052676","Formula":"C21H21O4P","All.Compound.Names":"Tris(4-methylphenyl) phosphate|Dtxsid5052676","logHenry":-4.59,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.131,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.572,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.091,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.63,"MP.Reference":"EPA-CCD-OPERA","MW":368.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78-32-0"}
{"Compound":"Trans-nonachlor","CAS":"39765-80-5","CAS.Checksum":true,"DTXSID":"DTXSID5052709","Formula":"C10H5Cl9","All.Compound.Names":"Trans-nonachlor|Dtxsid5052709","logHenry":-4.127,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.199,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.98,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.665,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.8,"MP.Reference":"EPA-CCD-OPERA","MW":444.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39765-80-5"}
{"Compound":"L-arabinopyranose","CAS":"87-72-9","CAS.Checksum":true,"DTXSID":"DTXSID5052836","Formula":"C5H10O5","All.Compound.Names":"L-arabinopyranose|Dtxsid5052836|87-72-9","logHenry":-8.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.32,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.496,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3876,"logWSol.Reference":"EPA-CCD-OPERA","MP":158,"MP.Reference":"EPA-CCD-OPERA","MW":150.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-72-9"}
{"Compound":"Argatroban monohydrate","CAS":"141396-28-3","CAS.Checksum":true,"DTXSID":"DTXSID5057888","Formula":"C23H38N6O6S","All.Compound.Names":"Argatroban monohydrate|Dtxsid5057888|141396-28-3","logHenry":-10.85,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.242,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.247,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.8,"MP.Reference":"EPA-CCD-OPERA","MW":526.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.9","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141396-28-3"}
{"Compound":"2,7,10-trimethyldodecane","CAS":"74645-98-0","CAS.Checksum":true,"DTXSID":"DTXSID5058642","Formula":"C15H32","All.Compound.Names":"2,7,10-trimethyldodecane|Dtxsid5058642","logHenry":-1.729,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.51,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.159,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":-115.2,"MP.Reference":"EPA-CCD-OPERA","MW":212.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74645-98-0"}
{"Compound":"4-methyl-delta-3-tetrahydrophthalic anhydride","CAS":"19438-64-3","CAS.Checksum":true,"DTXSID":"DTXSID5058692","Formula":"C9H10O3","All.Compound.Names":"4-methyl-delta-3-tetrahydrophthalic anhydride|Dtxsid5058692","logHenry":-6.534,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.183,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.72,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.403,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.7,"MP.Reference":"EPA-CCD-OPERA","MW":166.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19438-64-3"}
{"Compound":"1-(n-pentyl)cyclopentanol","CAS":"194800-16-3","CAS.Checksum":true,"DTXSID":"DTXSID5058694","Formula":"C10H20O","All.Compound.Names":"1-(n-pentyl)cyclopentanol|Dtxsid5058694|194800-16-3","logHenry":-4.649,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.13,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.403,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.487,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.16,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.13","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"194800-16-3"}
{"Compound":"Beta-d-lactose","CAS":"5965-66-2","CAS.Checksum":true,"DTXSID":"DTXSID5058723","Formula":"C12H22O11","All.Compound.Names":"Beta-d-lactose|Dtxsid5058723|5965-66-2","logHenry":-10.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":-3.262,"logP.Reference":"EPA-CCD-OPERA","logPwa":12.83,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2343,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.1,"MP.Reference":"EPA-CCD-OPERA","MW":342.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5965-66-2"}
{"Compound":"Ethanol, 2-[methyl(phenylmethyl)amino]-","CAS":"101-98-4","CAS.Checksum":true,"DTXSID":"DTXSID5059242","Formula":"C10H15NO","All.Compound.Names":"Ethanol, 2-[methyl(phenylmethyl)amino]-|Dtxsid5059242|101-98-4","logHenry":-6.56,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.159,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.559,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.606,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.03,"MP.Reference":"EPA-CCD-OPERA","MW":165.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.14","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-98-4"}
{"Compound":"1h,1h-perfluorooctyl acrylate","CAS":"307-98-2","CAS.Checksum":true,"DTXSID":"DTXSID5059799","Formula":"C11H5F15O2","All.Compound.Names":"1h,1h-perfluorooctyl acrylate|Dtxsid5059799","logHenry":-5.222,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.968,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4962,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.08,"logWSol.Reference":"EPA-CCD-OPERA","MP":4.903,"MP.Reference":"EPA-CCD-OPERA","MW":454.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"307-98-2"}
{"Compound":"1-iodopentadecafluoroheptane","CAS":"335-58-0","CAS.Checksum":true,"DTXSID":"DTXSID5059828","Formula":"C7F15I","All.Compound.Names":"1-iodopentadecafluoroheptane|Dtxsid5059828","logHenry":-1.913,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.39,"logP.Reference":"EPA-CCD-OPERA","logPwa":-2.119,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.963,"logWSol.Reference":"EPA-CCD-OPERA","MP":-24.45,"MP.Reference":"EPA-CCD-OPERA","MW":496,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"335-58-0"}
{"Compound":"Propane, 2-ethoxy-","CAS":"625-54-7","CAS.Checksum":true,"DTXSID":"DTXSID5060805","Formula":"C5H12O","All.Compound.Names":"Propane, 2-ethoxy-|Dtxsid5060805","logHenry":-2.909,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.298,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.508,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.556,"logWSol.Reference":"EPA-CCD-OPERA","MP":-108.2,"MP.Reference":"EPA-CCD-OPERA","MW":88.15,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"625-54-7"}
{"Compound":"Tetradecanamide","CAS":"638-58-4","CAS.Checksum":true,"DTXSID":"DTXSID5060934","Formula":"C14H29NO","All.Compound.Names":"Tetradecanamide|Dtxsid5060934|638-58-4","logHenry":-8.502,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.205,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.769,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.522,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.1,"MP.Reference":"EPA-CCD-OPERA","MW":227.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"638-58-4"}
{"Compound":"Isothiocyanocyclohexane","CAS":"1122-82-3","CAS.Checksum":true,"DTXSID":"DTXSID5061532","Formula":"C7H11NS","All.Compound.Names":"Isothiocyanocyclohexane|Dtxsid5061532|1122-82-3","logHenry":-4.789,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.979,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7816,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.439,"logWSol.Reference":"EPA-CCD-OPERA","MP":37.97,"MP.Reference":"EPA-CCD-OPERA","MW":141.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1122-82-3"}
{"Compound":"Methyl 2-hydroxy-2-methylpropionate","CAS":"2110-78-3","CAS.Checksum":true,"DTXSID":"DTXSID5062184","Formula":"C5H10O3","All.Compound.Names":"Methyl 2-hydroxy-2-methylpropionate|Dtxsid5062184|2110-78-3","logHenry":-6.172,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2258,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4816,"logWSol.Reference":"EPA-CCD-OPERA","MP":-47.97,"MP.Reference":"EPA-CCD-OPERA","MW":118.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.53","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2110-78-3"}
{"Compound":"Pentadecanal","CAS":"2765-11-9","CAS.Checksum":true,"DTXSID":"DTXSID5062633","Formula":"C15H30O","All.Compound.Names":"Pentadecanal|Dtxsid5062633","logHenry":-4.943,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.586,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.786,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.202,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.07,"MP.Reference":"EPA-CCD-OPERA","MW":226.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2765-11-9"}
{"Compound":"Benzene, 1-chloro-2-isocyanato-","CAS":"3320-83-0","CAS.Checksum":true,"DTXSID":"DTXSID5062974","Formula":"C7H4ClNO","All.Compound.Names":"Benzene, 1-chloro-2-isocyanato-|Dtxsid5062974|3320-83-0","logHenry":-6.38,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.386,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.534,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.745,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.29,"MP.Reference":"EPA-CCD-OPERA","MW":153.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.24","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3320-83-0"}
{"Compound":"2-(perfluorooctyl)ethyl acrylate","CAS":"27905-45-9","CAS.Checksum":true,"DTXSID":"DTXSID5067348","Formula":"C13H7F17O2","All.Compound.Names":"2-(perfluorooctyl)ethyl acrylate|Dtxsid5067348","logHenry":-5.286,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.912,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3837,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.309,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.71,"MP.Reference":"EPA-CCD-OPERA","MW":518.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"27905-45-9"}
{"Compound":"Allyl decanoate","CAS":"57856-81-2","CAS.Checksum":true,"DTXSID":"DTXSID5069209","Formula":"C13H24O2","All.Compound.Names":"Allyl decanoate|Dtxsid5069209","logHenry":-3.818,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.043,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.646,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.872,"logWSol.Reference":"EPA-CCD-OPERA","MP":-40.01,"MP.Reference":"EPA-CCD-OPERA","MW":212.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57856-81-2"}
{"Compound":"2-(2,2-dimethylpropyl)phenyl hydrogen carbonate","CAS":"13183-19-2","CAS.Checksum":true,"DTXSID":"DTXSID50701313","Formula":"C12H16O3","All.Compound.Names":"2-(2,2-dimethylpropyl)phenyl hydrogen carbonate|Dtxsid50701313|13183-19-2","logHenry":-7.803,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.45,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.054,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.561,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.1,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13183-19-2"}
{"Compound":"1,1,1,3,3-pentafluorobutane","CAS":"406-58-6","CAS.Checksum":true,"DTXSID":"DTXSID5073901","Formula":"C4H5F5","All.Compound.Names":"1,1,1,3,3-pentafluorobutane|Dtxsid5073901","logHenry":-1.184,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.506,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5353,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.777,"logWSol.Reference":"EPA-CCD-OPERA","MP":-75.06,"MP.Reference":"EPA-CCD-OPERA","MW":148.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"406-58-6"}
{"Compound":"Propanoic acid, 2-methyl-, pentyl ester","CAS":"2445-72-9","CAS.Checksum":true,"DTXSID":"DTXSID5074341","Formula":"C9H18O2","All.Compound.Names":"Propanoic acid, 2-methyl-, pentyl ester|Dtxsid5074341","logHenry":-3.273,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.241,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.193,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.549,"logWSol.Reference":"EPA-CCD-OPERA","MP":-73.09,"MP.Reference":"EPA-CCD-OPERA","MW":158.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2445-72-9"}
{"Compound":"7-tetradecene","CAS":"10374-74-0","CAS.Checksum":true,"DTXSID":"DTXSID5074688","Formula":"C14H28","All.Compound.Names":"7-tetradecene|Dtxsid5074688","logHenry":-1.957,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.846,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2018,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.935,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.6,"MP.Reference":"EPA-CCD-OPERA","MW":196.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10374-74-0"}
{"Compound":"Cyclobutane, ethyl-","CAS":"4806-61-5","CAS.Checksum":true,"DTXSID":"DTXSID5074711","Formula":"C6H12","All.Compound.Names":"Cyclobutane, ethyl-|Dtxsid5074711","logHenry":-0.6681,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.449,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3416,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.215,"logWSol.Reference":"EPA-CCD-OPERA","MP":-153.8,"MP.Reference":"EPA-CCD-OPERA","MW":84.16,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4806-61-5"}
{"Compound":"6-phenylundecane","CAS":"4537-14-8","CAS.Checksum":true,"DTXSID":"DTXSID5075446","Formula":"C17H28","All.Compound.Names":"6-phenylundecane|Dtxsid5075446","logHenry":-2.68,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.454,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3547,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.953,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.966,"MP.Reference":"EPA-CCD-OPERA","MW":232.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4537-14-8"}
{"Compound":"Patchoulane","CAS":"25491-20-7","CAS.Checksum":true,"DTXSID":"DTXSID50858836","Formula":"C14H24","All.Compound.Names":"Patchoulane|Dtxsid50858836","logHenry":-2.222,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.682,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.28,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.458,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.9,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25491-20-7"}
{"Compound":"1-phenyl-2-butene","CAS":"1560-06-1","CAS.Checksum":true,"DTXSID":"DTXSID50862433","Formula":"C10H12","All.Compound.Names":"1-phenyl-2-butene|Dtxsid50862433","logHenry":-2.15,"logHenry.Reference":"OPERA29","logP":3.41,"logP.Reference":"OPERA29","logWSol":-3.73,"logWSol.Reference":"OPERA29","MP":-43,"MP.Reference":"OPERA29","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1560-06-1"}
{"Compound":"3-decanol","CAS":"1565-81-7","CAS.Checksum":true,"DTXSID":"DTXSID50862695","Formula":"C10H22O","All.Compound.Names":"3-decanol|Dtxsid50862695|1565-81-7","logHenry":-4.675,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.882,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.861,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.801,"logWSol.Reference":"EPA-CCD-OPERA","MP":-55.02,"MP.Reference":"EPA-CCD-OPERA","MW":158.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1565-81-7"}
{"Compound":"1,5,7-octatrien-3-ol, 3,7-dimethyl-","CAS":"29957-43-5","CAS.Checksum":true,"DTXSID":"DTXSID50864917","Formula":"C10H16O","All.Compound.Names":"1,5,7-octatrien-3-ol, 3,7-dimethyl-|Dtxsid50864917|29957-43-5","logHenry":-5.256,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.12,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.181,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.99,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.48,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.06","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29957-43-5"}
{"Compound":"Decane, 2,5,6-trimethyl-","CAS":"62108-23-0","CAS.Checksum":true,"DTXSID":"DTXSID50866911","Formula":"C13H28","All.Compound.Names":"Decane, 2,5,6-trimethyl-|Dtxsid50866911","logHenry":-0.8354,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.451,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.9389,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.878,"logWSol.Reference":"EPA-CCD-OPERA","MP":-115.2,"MP.Reference":"EPA-CCD-OPERA","MW":184.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62108-23-0"}
{"Compound":"Hexane, 2,3,4-trimethyl-","CAS":"921-47-1","CAS.Checksum":true,"DTXSID":"DTXSID50870795","Formula":"C9H20","All.Compound.Names":"Hexane, 2,3,4-trimethyl-|Dtxsid50870795|2,3,4-trimethylhexane","logHenry":-0.4408,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.407,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4797,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.245,"logWSol.Reference":"EPA-CCD-OPERA","MP":-124.3,"MP.Reference":"EPA-CCD-OPERA","MW":128.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"921-47-1"}
{"Compound":"3-methyl-2-hexene","CAS":"17618-77-8","CAS.Checksum":true,"DTXSID":"DTXSID50871207","Formula":"C7H14","All.Compound.Names":"3-methyl-2-hexene|Dtxsid50871207","logHenry":-0.6863,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.884,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3469,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.206,"logWSol.Reference":"EPA-CCD-OPERA","MP":-124.6,"MP.Reference":"EPA-CCD-OPERA","MW":98.19,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17618-77-8"}
{"Compound":"3-ethylheptane","CAS":"15869-80-4","CAS.Checksum":true,"DTXSID":"DTXSID50871242","Formula":"C9H20","All.Compound.Names":"3-ethylheptane|Dtxsid50871242","logHenry":-0.5913,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.256,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.417,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.508,"logWSol.Reference":"EPA-CCD-OPERA","MP":-104,"MP.Reference":"EPA-CCD-OPERA","MW":128.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15869-80-4"}
{"Compound":"6-methyl-1-heptanol","CAS":"1653-40-3","CAS.Checksum":true,"DTXSID":"DTXSID50872375","Formula":"C8H18O","All.Compound.Names":"6-methyl-1-heptanol|Dtxsid50872375|1653-40-3","logHenry":-4.271,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.895,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.877,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.301,"logWSol.Reference":"EPA-CCD-OPERA","MP":-103.3,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1653-40-3"}
{"Compound":"2-methylundecane","CAS":"7045-71-8","CAS.Checksum":true,"DTXSID":"DTXSID50873241","Formula":"C12H26","All.Compound.Names":"2-methylundecane|Dtxsid50873241","logHenry":-0.836,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.919,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6631,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.122,"logWSol.Reference":"EPA-CCD-OPERA","MP":-66.55,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7045-71-8"}
{"Compound":"Benzene, (1-methylundecyl)-","CAS":"2719-61-1","CAS.Checksum":true,"DTXSID":"DTXSID50875104","Formula":"C18H30","All.Compound.Names":"Benzene, (1-methylundecyl)-|Dtxsid50875104","logHenry":-4.166,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.187,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.04585,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.981,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.003,"MP.Reference":"EPA-CCD-OPERA","MW":246.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2719-61-1"}
{"Compound":"1h,1h,2h-perfluorocyclopentane","CAS":"15290-77-4","CAS.Checksum":true,"DTXSID":"DTXSID50880218","Formula":"C5H3F7","All.Compound.Names":"1h,1h,2h-perfluorocyclopentane|Dtxsid50880218","logHenry":-1.611,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.044,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.853,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.921,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.21,"MP.Reference":"EPA-CCD-OPERA","MW":196.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"15290-77-4"}
{"Compound":"1-bromoadamantane","CAS":"768-90-1","CAS.Checksum":true,"DTXSID":"DTXSID50880632","Formula":"C10H15Br","All.Compound.Names":"1-bromoadamantane|Dtxsid50880632","logHenry":-2.84,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.442,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.279,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.084,"logWSol.Reference":"EPA-CCD-OPERA","MP":142,"MP.Reference":"EPA-CCD-OPERA","MW":215.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"768-90-1"}
{"Compound":"Cyclohexane, 1-ethyl-1,3-dimethyl-, trans-","CAS":"62238-29-3","CAS.Checksum":true,"DTXSID":"DTXSID50880637","Formula":"C10H20","All.Compound.Names":"Cyclohexane, 1-ethyl-1,3-dimethyl-, trans-|Dtxsid50880637","logHenry":-1.15,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.958,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4829,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.644,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.03,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62238-29-3"}
{"Compound":"(z)-1-phenylpropene","CAS":"766-90-5","CAS.Checksum":true,"DTXSID":"DTXSID50880652","Formula":"C9H10","All.Compound.Names":"(z)-1-phenylpropene|Dtxsid50880652","logHenry":-2.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.35,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.179,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.214,"logWSol.Reference":"EPA-CCD-OPERA","MP":-28.32,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"766-90-5"}
{"Compound":"Propanedinitrile, (1-methylethenyl)(phenylmethyl)-","CAS":"69564-95-0","CAS.Checksum":true,"DTXSID":"DTXSID50880657","Formula":"C13H12N2","All.Compound.Names":"Propanedinitrile, (1-methylethenyl)(phenylmethyl)-|Dtxsid50880657","logHenry":-7.756,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.077,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.177,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.301,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.37,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"69564-95-0"}
{"Compound":"Trans-anti-trans-tetra-decahydroanthracene","CAS":"28071-99-0","CAS.Checksum":true,"DTXSID":"DTXSID50880672","Formula":"C14H24","All.Compound.Names":"Trans-anti-trans-tetra-decahydroanthracene|Dtxsid50880672","logHenry":-2.247,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.786,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.118,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.447,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.22,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28071-99-0"}
{"Compound":"Indano[2,1-d]1,3-dioxane,","CAS":"102688-70-0","CAS.Checksum":true,"DTXSID":"DTXSID50880677","Formula":"C11H12O2","All.Compound.Names":"Indano[2,1-d]1,3-dioxane,|Dtxsid50880677","logHenry":-4.006,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.223,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.858,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.127,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.85,"MP.Reference":"EPA-CCD-OPERA","MW":176.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"102688-70-0"}
{"Compound":"Maleic acid, di-t-butyl ester","CAS":"18305-60-7","CAS.Checksum":true,"DTXSID":"DTXSID50880692","Formula":"C12H20O4","All.Compound.Names":"Maleic acid, di-t-butyl ester|Dtxsid50880692","logHenry":-6.708,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.355,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.356,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.725,"logWSol.Reference":"EPA-CCD-OPERA","MP":34.34,"MP.Reference":"EPA-CCD-OPERA","MW":228.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18305-60-7"}
{"Compound":"Tridecane, 2-methyl-2-phenyl-","CAS":"27854-41-7","CAS.Checksum":true,"DTXSID":"DTXSID50880697","Formula":"C20H34","All.Compound.Names":"Tridecane, 2-methyl-2-phenyl-|Dtxsid50880697","logHenry":-5.151,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4606,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.106,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.56,"MP.Reference":"EPA-CCD-OPERA","MW":274.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27854-41-7"}
{"Compound":"1,7-dimethyl-4-(1-methylethyl)cyclodecane","CAS":"645-10-3","CAS.Checksum":true,"DTXSID":"DTXSID50880713","Formula":"C15H30","All.Compound.Names":"1,7-dimethyl-4-(1-methylethyl)cyclodecane|Dtxsid50880713","logHenry":-1.871,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.058,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.411,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.25,"logWSol.Reference":"EPA-CCD-OPERA","MP":-103,"MP.Reference":"EPA-CCD-OPERA","MW":210.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"645-10-3"}
{"Compound":"10,18-bisnorabieta-8,11,13-triene","CAS":"32624-67-2","CAS.Checksum":true,"DTXSID":"DTXSID50880718","Formula":"C18H26","All.Compound.Names":"10,18-bisnorabieta-8,11,13-triene|Dtxsid50880718","logHenry":-2.882,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.984,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.188,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.921,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.72,"MP.Reference":"EPA-CCD-OPERA","MW":242.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32624-67-2"}
{"Compound":"Cyclohexane, 1,1'-(1,2-dimethyl-1,2-ethanediyl)bis-","CAS":"74663-71-1","CAS.Checksum":true,"DTXSID":"DTXSID50880733","Formula":"C16H30","All.Compound.Names":"Cyclohexane, 1,1'-(1,2-dimethyl-1,2-ethanediyl)bis-|Dtxsid50880733","logHenry":-2.318,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.782,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6522,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.319,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.094,"MP.Reference":"EPA-CCD-OPERA","MW":222.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74663-71-1"}
{"Compound":"(2-methylbutyl)cyclohexane","CAS":"54105-77-0","CAS.Checksum":true,"DTXSID":"DTXSID50880738","Formula":"C11H22","All.Compound.Names":"(2-methylbutyl)cyclohexane|Dtxsid50880738","logHenry":-1.18,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.423,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4364,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.709,"logWSol.Reference":"EPA-CCD-OPERA","MP":-84.84,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54105-77-0"}
{"Compound":"Hexadecane, 3-methyl-","CAS":"6418-43-5","CAS.Checksum":true,"DTXSID":"DTXSID50880753","Formula":"C17H36","All.Compound.Names":"Hexadecane, 3-methyl-|Dtxsid50880753","logHenry":-3.444,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.465,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.084,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.276,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.341,"MP.Reference":"EPA-CCD-OPERA","MW":240.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6418-43-5"}
{"Compound":"1-propanol, dl-2-benzylamino-,","CAS":"6940-81-4","CAS.Checksum":true,"DTXSID":"DTXSID50880758","Formula":"C10H15NO","All.Compound.Names":"1-propanol, dl-2-benzylamino-,|Dtxsid50880758|6940-81-4","logHenry":-6.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.279,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.561,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.028,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.44,"MP.Reference":"EPA-CCD-OPERA","MW":165.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6940-81-4"}
{"Compound":"Oxazolidine, 2-ethyl-4,4-dimethyl-","CAS":"13973-28-9","CAS.Checksum":true,"DTXSID":"DTXSID50880773","Formula":"C7H15NO","All.Compound.Names":"Oxazolidine, 2-ethyl-4,4-dimethyl-|Dtxsid50880773|13973-28-9","logHenry":-6.063,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.411,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.501,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3971,"logWSol.Reference":"EPA-CCD-OPERA","MP":91.37,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.83","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13973-28-9"}
{"Compound":"Cyclohexane, 1-isopropyl-1-methyl-","CAS":"16580-26-0","CAS.Checksum":true,"DTXSID":"DTXSID50880778","Formula":"C10H20","All.Compound.Names":"Cyclohexane, 1-isopropyl-1-methyl-|Dtxsid50880778|1-methyl-1-(1-methylethyl)cyclohexane","logHenry":-1.152,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.946,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4709,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.641,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.03,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16580-26-0"}
{"Compound":"Cyclohexane, 2-ethyl-1,3-dimethyl-","CAS":"7045-67-2","CAS.Checksum":true,"DTXSID":"DTXSID50880793","Formula":"C10H20","All.Compound.Names":"Cyclohexane, 2-ethyl-1,3-dimethyl-|Dtxsid50880793","logHenry":-1.152,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.982,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4522,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.688,"logWSol.Reference":"EPA-CCD-OPERA","MP":-82.4,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7045-67-2"}
{"Compound":"1,1,3a-trimethyl-1a,3a,5,6-tetrahydro-1h-cyclopropa[c]pentalen-4-one","CAS":"91531-54-3","CAS.Checksum":true,"DTXSID":"DTXSID50880798","Formula":"C12H16O","All.Compound.Names":"1,1,3a-trimethyl-1a,3a,5,6-tetrahydro-1h-cyclopropa[c]pentalen-4-one|Dtxsid50880798","logHenry":-3.998,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.829,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.93,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.398,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.23,"MP.Reference":"EPA-CCD-OPERA","MW":176.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"91531-54-3"}
{"Compound":"Undecane, 3,8-dimethyl-","CAS":"17301-30-3","CAS.Checksum":true,"DTXSID":"DTXSID50880814","Formula":"C13H28","All.Compound.Names":"Undecane, 3,8-dimethyl-|Dtxsid50880814","logHenry":-0.8379,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.507,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6334,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.864,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.77,"MP.Reference":"EPA-CCD-OPERA","MW":184.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17301-30-3"}
{"Compound":"3-heptadecanol","CAS":"84534-30-5","CAS.Checksum":true,"DTXSID":"DTXSID50880819","Formula":"C17H36O","All.Compound.Names":"3-heptadecanol|Dtxsid50880819|84534-30-5","logHenry":-5.194,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.917,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.011,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.494,"logWSol.Reference":"EPA-CCD-OPERA","MP":33.07,"MP.Reference":"EPA-CCD-OPERA","MW":256.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84534-30-5"}
{"Compound":"9,10-tetradecenol","CAS":"52957-16-1","CAS.Checksum":true,"DTXSID":"DTXSID50880834","Formula":"C14H28O","All.Compound.Names":"9,10-tetradecenol|Dtxsid50880834|52957-16-1","logHenry":-4.684,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.581,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.501,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.953,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.2,"MP.Reference":"EPA-CCD-OPERA","MW":212.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52957-16-1"}
{"Compound":"Cyclopropane, 1-butyl-2-pentyl-, trans-","CAS":"74663-87-9","CAS.Checksum":true,"DTXSID":"DTXSID50880839","Formula":"C12H24","All.Compound.Names":"Cyclopropane, 1-butyl-2-pentyl-, trans-|Dtxsid50880839","logHenry":-1.183,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.882,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1892,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.004,"logWSol.Reference":"EPA-CCD-OPERA","MP":-110.7,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74663-87-9"}
{"Compound":"5-tetradecene, (e)-","CAS":"41446-66-6","CAS.Checksum":true,"DTXSID":"DTXSID50880854","Formula":"C14H28","All.Compound.Names":"5-tetradecene, (e)-|Dtxsid50880854","logHenry":-1.957,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.848,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2037,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.936,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.6,"MP.Reference":"EPA-CCD-OPERA","MW":196.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41446-66-6"}
{"Compound":"2-octylcyclopropene-1-heptanol","CAS":"54467-85-5","CAS.Checksum":true,"DTXSID":"DTXSID50880859","Formula":"C18H34O","All.Compound.Names":"2-octylcyclopropene-1-heptanol|Dtxsid50880859|54467-85-5","logHenry":-7.727,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.285,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.336,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.021,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.034,"MP.Reference":"EPA-CCD-OPERA","MW":266.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54467-85-5"}
{"Compound":"Cetyl glycidyl ether","CAS":"15965-99-8","CAS.Checksum":true,"DTXSID":"DTXSID50880874","Formula":"C19H38O2","All.Compound.Names":"Cetyl glycidyl ether|Dtxsid50880874","logHenry":-6.032,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.953,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.451,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.69,"logWSol.Reference":"EPA-CCD-OPERA","MP":-20.29,"MP.Reference":"EPA-CCD-OPERA","MW":298.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15965-99-8"}
{"Compound":"2-piperidinoethyl o-chlorobenzoate","CAS":"298193-76-7","CAS.Checksum":true,"DTXSID":"DTXSID50880879","Formula":"C14H18ClNO2","All.Compound.Names":"2-piperidinoethyl o-chlorobenzoate|Dtxsid50880879|298193-76-7","logHenry":-7.763,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.756,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.773,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.891,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.51,"MP.Reference":"EPA-CCD-OPERA","MW":267.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"298193-76-7"}
{"Compound":"9,15-octadecadienoic acid, methyl ester","CAS":"56630-73-0","CAS.Checksum":true,"DTXSID":"DTXSID50880894","Formula":"C19H34O2","All.Compound.Names":"9,15-octadecadienoic acid, methyl ester|Dtxsid50880894","logHenry":-6.616,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.952,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.898,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.461,"logWSol.Reference":"EPA-CCD-OPERA","MP":-34.81,"MP.Reference":"EPA-CCD-OPERA","MW":294.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56630-73-0"}
{"Compound":"2-phthalimidopropionic acid","CAS":"19506-87-7","CAS.Checksum":true,"DTXSID":"DTXSID50880899","Formula":"C11H9NO4","All.Compound.Names":"2-phthalimidopropionic acid|Dtxsid50880899|19506-87-7","logHenry":-8.565,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.176,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.005,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.38,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.9,"MP.Reference":"EPA-CCD-OPERA","MW":219.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19506-87-7"}
{"Compound":"2(3h)-furanone, 3-heptyldihydro-","CAS":"2983-21-3","CAS.Checksum":true,"DTXSID":"DTXSID50880910","Formula":"C11H20O2","All.Compound.Names":"2(3h)-furanone, 3-heptyldihydro-|Dtxsid50880910","logHenry":-6.707,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.476,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.242,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.731,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.311,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2983-21-3"}
{"Compound":"Binaphthyl sulfone","CAS":"32390-26-4","CAS.Checksum":true,"DTXSID":"DTXSID50880915","Formula":"C20H14O2S","All.Compound.Names":"Binaphthyl sulfone|Dtxsid50880915","logHenry":-5.422,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.88,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.698,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.26,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.6,"MP.Reference":"EPA-CCD-OPERA","MW":318.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32390-26-4"}
{"Compound":"(z)-5-dodecene","CAS":"7206-28-2","CAS.Checksum":true,"DTXSID":"DTXSID50880930","Formula":"C12H24","All.Compound.Names":"(z)-5-dodecene|Dtxsid50880930","logHenry":-1.18,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.862,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.0915,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.012,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.56,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7206-28-2"}
{"Compound":"3-hexene, 2,2-dimethyl-, (z)-","CAS":"690-92-6","CAS.Checksum":true,"DTXSID":"DTXSID50880935","Formula":"C8H16","All.Compound.Names":"3-hexene, 2,2-dimethyl-, (z)-|Dtxsid50880935","logHenry":-0.6261,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.066,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.713,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.321,"logWSol.Reference":"EPA-CCD-OPERA","MP":-136.9,"MP.Reference":"EPA-CCD-OPERA","MW":112.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"690-92-6"}
{"Compound":"2-furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, cis-","CAS":"5989-33-3","CAS.Checksum":true,"DTXSID":"DTXSID50881205","Formula":"C10H18O2","All.Compound.Names":"2-furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, cis-|Dtxsid50881205|Rel-(2r,5s)-5-ethenyltetrahydro-?,?,5-trimethyl-2-furanmethanol|5989-33-3","logHenry":-5.06,"logHenry.Reference":"OPERA29","logP":2.43,"logP.Reference":"OPERA29","logWSol":-1.8,"logWSol.Reference":"OPERA29","MP":-100,"MP.Reference":"OPERA29","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5989-33-3"}
{"Compound":"2,4,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate)","CAS":"74381-40-1","CAS.Checksum":true,"DTXSID":"DTXSID50881220","Formula":"C16H30O4","All.Compound.Names":"2,4,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate)|Dtxsid50881220","logHenry":-6.962,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.778,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.66,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.782,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.78,"MP.Reference":"EPA-CCD-OPERA","MW":286.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74381-40-1"}
{"Compound":"(z,z)-9,12-octadecadien-1-ol","CAS":"506-43-4","CAS.Checksum":true,"DTXSID":"DTXSID50881240","Formula":"C18H34O","All.Compound.Names":"(z,z)-9,12-octadecadien-1-ol|Dtxsid50881240|506-43-4","logHenry":-5.223,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.936,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.578,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.731,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.99,"MP.Reference":"EPA-CCD-OPERA","MW":266.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"506-43-4"}
{"Compound":"Cis-thujopsene","CAS":"470-40-6","CAS.Checksum":true,"DTXSID":"DTXSID50881245","Formula":"C15H24","All.Compound.Names":"Cis-thujopsene|Dtxsid50881245","logHenry":-2.278,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.94,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.782,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.374,"logWSol.Reference":"EPA-CCD-OPERA","MP":7.518,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"470-40-6"}
{"Compound":"4h-perfluorobutanoic acid","CAS":"679-12-9","CAS.Checksum":true,"DTXSID":"DTXSID50892417","Formula":"C4H2F6O2","All.Compound.Names":"4h-perfluorobutanoic acid|Dtxsid50892417|679-12-9","logHenry":-4.641,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.709,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.022,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.027,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.72,"MP.Reference":"EPA-CCD-OPERA","MW":196,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.67","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"679-12-9"}
{"Compound":"Tegaserod maleate","CAS":"189188-57-6","CAS.Checksum":true,"DTXSID":"DTXSID50904761","Formula":"C20H27N5O5","All.Compound.Names":"Tegaserod maleate|Dtxsid50904761|189188-57-6","logHenry":-9.26,"logHenry.Reference":"OPERA29","logP":1.89,"logP.Reference":"OPERA29","logWSol":-3.08,"logWSol.Reference":"OPERA29","MP":139,"MP.Reference":"OPERA29","MW":417.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.01","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"189188-57-6"}
{"Compound":"Esketamine hydrochloride","CAS":"33643-47-9","CAS.Checksum":true,"DTXSID":"DTXSID601027734","Formula":"C13H17Cl2NO","All.Compound.Names":"Esketamine hydrochloride|33643-47-9","logHenry":-8.36,"logHenry.Reference":"OPERA29","logP":2.18,"logP.Reference":"OPERA29","logWSol":-0.15,"logWSol.Reference":"OPERA29","MP":93,"MP.Reference":"OPERA29","MW":274.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33643-47-9"}
{"Compound":"Benzamide, n-propyl-","CAS":"10546-70-0","CAS.Checksum":true,"DTXSID":"DTXSID60147142","Formula":"C10H13NO","All.Compound.Names":"Benzamide, n-propyl-|Dtxsid60147142|10546-70-0","logHenry":-8.196,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.716,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.862,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.373,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.7,"MP.Reference":"EPA-CCD-OPERA","MW":163.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10546-70-0"}
{"Compound":"Nonanamide","CAS":"1120-07-6","CAS.Checksum":true,"DTXSID":"DTXSID60149803","Formula":"C9H19NO","All.Compound.Names":"Nonanamide|Dtxsid60149803|1120-07-6","logHenry":-7.17,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.591,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.868,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.211,"logWSol.Reference":"EPA-CCD-OPERA","MP":99.65,"MP.Reference":"EPA-CCD-OPERA","MW":157.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1120-07-6"}
{"Compound":"Di-t-butylacetylene","CAS":"17530-24-4","CAS.Checksum":true,"DTXSID":"DTXSID60169965","Formula":"C10H18","All.Compound.Names":"Di-t-butylacetylene|Dtxsid60169965","logHenry":-1.127,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.914,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2609,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.978,"logWSol.Reference":"EPA-CCD-OPERA","MP":-82.27,"MP.Reference":"EPA-CCD-OPERA","MW":138.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17530-24-4"}
{"Compound":"Congressane","CAS":"2292-79-7","CAS.Checksum":true,"DTXSID":"DTXSID60177464","Formula":"C14H20","All.Compound.Names":"Congressane|Dtxsid60177464","logHenry":-2.993,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.254,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.406,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.821,"logWSol.Reference":"EPA-CCD-OPERA","MP":228.4,"MP.Reference":"EPA-CCD-OPERA","MW":188.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2292-79-7"}
{"Compound":"Naphtho(2,3-b)thiophene","CAS":"268-77-9","CAS.Checksum":true,"DTXSID":"DTXSID60181304","Formula":"C12H8S","All.Compound.Names":"Naphtho(2,3-b)thiophene|Dtxsid60181304","logHenry":-4.065,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.499,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.005,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.081,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.13,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"268-77-9"}
{"Compound":"9-octadecyne","CAS":"35365-59-4","CAS.Checksum":true,"DTXSID":"DTXSID60188853","Formula":"C18H34","All.Compound.Names":"9-octadecyne|Dtxsid60188853","logHenry":-4.472,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.239,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8597,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.348,"logWSol.Reference":"EPA-CCD-OPERA","MP":-47.05,"MP.Reference":"EPA-CCD-OPERA","MW":250.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35365-59-4"}
{"Compound":"Phenanthrene, 2,5-dimethyl-","CAS":"3674-66-6","CAS.Checksum":true,"DTXSID":"DTXSID60190198","Formula":"C16H14","All.Compound.Names":"Phenanthrene, 2,5-dimethyl-|Dtxsid60190198|2,5-dimethylphenanthrene","logHenry":-4.486,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.332,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.539,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.495,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.9,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3674-66-6"}
{"Compound":"4-tetradecene, (4e)-","CAS":"41446-78-0","CAS.Checksum":true,"DTXSID":"DTXSID60194358","Formula":"C14H28","All.Compound.Names":"4-tetradecene, (4e)-|Dtxsid60194358","logHenry":-1.958,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.85,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2065,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.937,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.6,"MP.Reference":"EPA-CCD-OPERA","MW":196.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41446-78-0"}
{"Compound":"Perfluorooctanamide","CAS":"423-54-1","CAS.Checksum":true,"DTXSID":"DTXSID60195123","Formula":"C8H2F15NO","All.Compound.Names":"Perfluorooctanamide|Dtxsid60195123|423-54-1","logHenry":-9.752,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.034,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8624,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.734,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.5,"MP.Reference":"EPA-CCD-OPERA","MW":413.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"423-54-1"}
{"Compound":"2,2,7-trimethyl-3-octyne","CAS":"55402-13-6","CAS.Checksum":true,"DTXSID":"DTXSID60203959","Formula":"C11H20","All.Compound.Names":"2,2,7-trimethyl-3-octyne|Dtxsid60203959","logHenry":-1.166,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.641,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.7718,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.015,"logWSol.Reference":"EPA-CCD-OPERA","MP":-96.6,"MP.Reference":"EPA-CCD-OPERA","MW":152.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55402-13-6"}
{"Compound":"1,1-dibutoxybutane","CAS":"5921-80-2","CAS.Checksum":true,"DTXSID":"DTXSID60207957","Formula":"C12H26O2","All.Compound.Names":"1,1-dibutoxybutane|Dtxsid60207957","logHenry":-3.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.311,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.501,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.107,"logWSol.Reference":"EPA-CCD-OPERA","MP":-50.91,"MP.Reference":"EPA-CCD-OPERA","MW":202.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5921-80-2"}
{"Compound":"Dodecanal","CAS":"112-54-9","CAS.Checksum":true,"DTXSID":"DTXSID6021589","Formula":"C12H24O","All.Compound.Names":"Dodecanal|Dtxsid6021589","logHenry":-3.342,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.802,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.297,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.934,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.65,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"112-54-9"}
{"Compound":"1-[2-(2-methoxy-1-methylethoxy)-1-methylethoxy]-2-propanol","CAS":"20324-33-8","CAS.Checksum":true,"DTXSID":"DTXSID6021616","Formula":"C10H22O4","All.Compound.Names":"1-[2-(2-methoxy-1-methylethoxy)-1-methylethoxy]-2-propanol|Dtxsid6021616|20324-33-8","logHenry":-7.979,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8348,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.887,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.683,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.8,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.43","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20324-33-8"}
{"Compound":"1-bromobutane","CAS":"109-65-9","CAS.Checksum":true,"DTXSID":"DTXSID6021903","Formula":"C4H9Br","All.Compound.Names":"1-bromobutane|Dtxsid6021903","logHenry":-2.019,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.751,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5729,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.286,"logWSol.Reference":"EPA-CCD-OPERA","MP":-112,"MP.Reference":"EPA-CCD-OPERA","MW":137,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-65-9"}
{"Compound":"Pentylbenzene","CAS":"538-68-1","CAS.Checksum":true,"DTXSID":"DTXSID6022054","Formula":"C11H16","All.Compound.Names":"Pentylbenzene|Dtxsid6022054","logHenry":-2.101,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.899,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1845,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.639,"logWSol.Reference":"EPA-CCD-OPERA","MP":-62.07,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"538-68-1"}
{"Compound":"2,2,3,3-tetramethylpentane","CAS":"7154-79-2","CAS.Checksum":true,"DTXSID":"DTXSID60221779","Formula":"C9H20","All.Compound.Names":"2,2,3,3-tetramethylpentane|Dtxsid60221779","logHenry":-0.4396,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.165,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2668,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.197,"logWSol.Reference":"EPA-CCD-OPERA","MP":-41.35,"MP.Reference":"EPA-CCD-OPERA","MW":128.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7154-79-2"}
{"Compound":"Heptyl benzoate","CAS":"7155-12-6","CAS.Checksum":true,"DTXSID":"DTXSID60221794","Formula":"C14H20O2","All.Compound.Names":"Heptyl benzoate|Dtxsid60221794","logHenry":-5.109,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.504,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.915,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.044,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.48,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7155-12-6"}
{"Compound":"4-aminobenzenesulfonic acid","CAS":"121-57-3","CAS.Checksum":true,"DTXSID":"DTXSID6024464","Formula":"C6H7NO3S","All.Compound.Names":"4-aminobenzenesulfonic acid|Dtxsid6024464|121-57-3","logHenry":-10.41,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.159,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.09,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.204,"logWSol.Reference":"EPA-CCD-OPERA","MP":193.2,"MP.Reference":"EPA-CCD-OPERA","MW":173.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"121-57-3"}
{"Compound":"Cyclohexene oxide","CAS":"286-20-4","CAS.Checksum":true,"DTXSID":"DTXSID6024880","Formula":"C6H10O","All.Compound.Names":"Cyclohexene oxide|Dtxsid6024880","logHenry":-4.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.261,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.395,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3237,"logWSol.Reference":"EPA-CCD-OPERA","MP":-24.26,"MP.Reference":"EPA-CCD-OPERA","MW":98.14,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"286-20-4"}
{"Compound":"Octyl methacrylate","CAS":"2157-01-9","CAS.Checksum":true,"DTXSID":"DTXSID6025806","Formula":"C12H22O2","All.Compound.Names":"Octyl methacrylate|Dtxsid6025806","logHenry":-3.705,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.262,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.532,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.169,"logWSol.Reference":"EPA-CCD-OPERA","MP":-47.58,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2157-01-9"}
{"Compound":"Dodecamethylcyclohexasiloxane","CAS":"540-97-6","CAS.Checksum":true,"DTXSID":"DTXSID6027183","Formula":"C12H36O6Si6","All.Compound.Names":"Dodecamethylcyclohexasiloxane|Dtxsid6027183","logHenry":0.9809,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.059,"logP.Reference":"EPA-CCD-OPERA","logPwa":-3.309,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.939,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.044,"MP.Reference":"EPA-CCD-OPERA","MW":444.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"540-97-6"}
{"Compound":"2-amino-1-phenyl-1-propanol hydrochloride","CAS":"53631-70-2","CAS.Checksum":true,"DTXSID":"DTXSID6027185","Formula":"C6H18O3Si3","All.Compound.Names":"2-amino-1-phenyl-1-propanol hydrochloride|Dtxsid6027185|53631-70-2","logHenry":-8.91,"logHenry.Reference":"OPERA29","logP":0.67,"logP.Reference":"OPERA29","logPwa":-1.693,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.88,"logWSol.Reference":"OPERA29","MP":101,"MP.Reference":"OPERA29","MW":151.1,"MW.Reference":"OPERA29","pKa_Accept":"8.77","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"OPERA29","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53631-70-2"}
{"Compound":"N-ethyl-n-(2-hydroxyethyl)perfluorooctane sulfonamide","CAS":"1691-99-2","CAS.Checksum":true,"DTXSID":"DTXSID6027426","Formula":"C12H10F17NO3S","All.Compound.Names":"N-ethyl-n-(2-hydroxyethyl)perfluorooctane sulfonamide|Dtxsid6027426|1691-99-2","logHenry":-9.824,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.888,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.616,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.575,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.51,"MP.Reference":"EPA-CCD-OPERA","MW":571.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"1691-99-2"}
{"Compound":"1-tert-butyl-4-phenoxybenzene","CAS":"5331-28-2","CAS.Checksum":true,"DTXSID":"DTXSID60277413","Formula":"C16H18O","All.Compound.Names":"1-tert-butyl-4-phenoxybenzene|Dtxsid60277413","logHenry":-3.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.972,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.411,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.502,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.96,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5331-28-2"}
{"Compound":"N-octylformamide","CAS":"6282-06-0","CAS.Checksum":true,"DTXSID":"DTXSID60278061","Formula":"C9H19NO","All.Compound.Names":"N-octylformamide|Dtxsid60278061|6282-06-0","logHenry":-6.23,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.995,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.756,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.843,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.27,"MP.Reference":"EPA-CCD-OPERA","MW":157.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6282-06-0"}
{"Compound":"Cyclohexyl 2-chloroacetate","CAS":"6975-91-3","CAS.Checksum":true,"DTXSID":"DTXSID60281151","Formula":"C8H13ClO2","All.Compound.Names":"Cyclohexyl 2-chloroacetate|Dtxsid60281151","logHenry":-3.743,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.808,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.246,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.146,"logWSol.Reference":"EPA-CCD-OPERA","MP":4.437,"MP.Reference":"EPA-CCD-OPERA","MW":176.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6975-91-3"}
{"Compound":"Undecyl benzoate","CAS":"6316-30-9","CAS.Checksum":true,"DTXSID":"DTXSID60281712","Formula":"C18H28O2","All.Compound.Names":"Undecyl benzoate|Dtxsid60281712","logHenry":-6.638,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.564,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.199,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.175,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.64,"MP.Reference":"EPA-CCD-OPERA","MW":276.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6316-30-9"}
{"Compound":"2-methyl-1,4-benzenediamine","CAS":"95-70-5","CAS.Checksum":true,"DTXSID":"DTXSID6029123","Formula":"C7H10N2","All.Compound.Names":"2-methyl-1,4-benzenediamine|Dtxsid6029123|95-70-5","logHenry":-7.242,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3407,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.516,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5075,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.71,"MP.Reference":"EPA-CCD-OPERA","MW":122.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-70-5"}
{"Compound":"1,1-dicyclopentylethane","CAS":"4413-21-2","CAS.Checksum":true,"DTXSID":"DTXSID60306535","Formula":"C12H22","All.Compound.Names":"1,1-dicyclopentylethane|Dtxsid60306535","logHenry":-1.406,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.292,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5825,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.25,"logWSol.Reference":"EPA-CCD-OPERA","MP":-67.04,"MP.Reference":"EPA-CCD-OPERA","MW":166.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4413-21-2"}
{"Compound":"1,13-tetradecadien-3-one","CAS":"58879-40-6","CAS.Checksum":true,"DTXSID":"DTXSID60320296","Formula":"C14H24O","All.Compound.Names":"1,13-tetradecadien-3-one|Dtxsid60320296","logHenry":-3.713,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.417,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.837,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.65,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.99,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58879-40-6"}
{"Compound":"Bicyclo[7.1.0]decane","CAS":"286-76-0","CAS.Checksum":true,"DTXSID":"DTXSID60334333","Formula":"C10H18","All.Compound.Names":"Bicyclo[7.1.0]decane|Dtxsid60334333","logHenry":-1.413,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.72,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.117,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.136,"logWSol.Reference":"EPA-CCD-OPERA","MP":-68.88,"MP.Reference":"EPA-CCD-OPERA","MW":138.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"286-76-0"}
{"Compound":"7,9-di-tert-butyl-1-oxaspiro(4,5)deca-6,9-diene-2,8-dione","CAS":"82304-66-3","CAS.Checksum":true,"DTXSID":"DTXSID60337884","Formula":"C17H24O3","All.Compound.Names":"7,9-di-tert-butyl-1-oxaspiro(4,5)deca-6,9-diene-2,8-dione|Dtxsid60337884","logHenry":-4.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.386,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.131,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.493,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.6,"MP.Reference":"EPA-CCD-OPERA","MW":276.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"82304-66-3"}
{"Compound":"2,5,6-trimethyloctane","CAS":"62016-14-2","CAS.Checksum":true,"DTXSID":"DTXSID60337925","Formula":"C11H24","All.Compound.Names":"2,5,6-trimethyloctane|Dtxsid60337925","logHenry":-0.8096,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.235,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8096,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.439,"logWSol.Reference":"EPA-CCD-OPERA","MP":-115.1,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62016-14-2"}
{"Compound":"1-nonadecanamine, n,n-dimethyl-","CAS":"49859-87-2","CAS.Checksum":true,"DTXSID":"DTXSID60338159","Formula":"C21H45N","All.Compound.Names":"1-nonadecanamine, n,n-dimethyl-|Dtxsid60338159|49859-87-2","logHenry":-6.432,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.94,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.683,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.726,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.8559,"MP.Reference":"EPA-CCD-OPERA","MW":311.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"49859-87-2"}
{"Compound":"13-tetradecynoic acid, methyl ester","CAS":"56909-03-6","CAS.Checksum":true,"DTXSID":"DTXSID60339146","Formula":"C15H26O2","All.Compound.Names":"13-tetradecynoic acid, methyl ester|Dtxsid60339146","logHenry":-6.532,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.373,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.954,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.329,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.88,"MP.Reference":"EPA-CCD-OPERA","MW":238.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56909-03-6"}
{"Compound":"3-butylcyclohexanone","CAS":"39178-69-3","CAS.Checksum":true,"DTXSID":"DTXSID60340631","Formula":"C10H18O","All.Compound.Names":"3-butylcyclohexanone|Dtxsid60340631","logHenry":-3.819,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.105,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.131,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.312,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.27,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"39178-69-3"}
{"Compound":"Cyclohexene, 1,5,5-trimethyl-6-methylene-","CAS":"514-95-4","CAS.Checksum":true,"DTXSID":"DTXSID60342059","Formula":"C10H16","All.Compound.Names":"Cyclohexene, 1,5,5-trimethyl-6-methylene-|Dtxsid60342059","logHenry":-1.676,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.634,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8294,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.504,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.99,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"514-95-4"}
{"Compound":"(s)-lactic acid","CAS":"79-33-4","CAS.Checksum":true,"DTXSID":"DTXSID6034689","Formula":"C3H6O3","All.Compound.Names":"(s)-lactic acid|Dtxsid6034689|79-33-4","logHenry":-8.049,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.7207,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.442,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5083,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.93,"MP.Reference":"EPA-CCD-OPERA","MW":90.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-33-4"}
{"Compound":"(e,z)-tetradeca-9,12-dienyl acetate","CAS":"31654-77-0","CAS.Checksum":true,"DTXSID":"DTXSID6035285","Formula":"C16H28O2","All.Compound.Names":"(e,z)-tetradeca-9,12-dienyl acetate|Dtxsid6035285|9,12-tetradecadien-1-ol, 1-acetate, (9e,12z)-","logHenry":-6.163,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.066,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.348,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.49,"logWSol.Reference":"EPA-CCD-OPERA","MP":-27.82,"MP.Reference":"EPA-CCD-OPERA","MW":252.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31654-77-0"}
{"Compound":"4:4 fluorotelomer alcohol","CAS":"3792-02-7","CAS.Checksum":true,"DTXSID":"DTXSID60377821","Formula":"C8H9F9O","All.Compound.Names":"4:4 fluorotelomer alcohol|Dtxsid60377821|3792-02-7","logHenry":-8.588,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.311,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.05208,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.592,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.478,"MP.Reference":"EPA-CCD-OPERA","MW":292.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"3792-02-7"}
{"Compound":"1h,1h-perfluoropentylamine","CAS":"355-27-1","CAS.Checksum":true,"DTXSID":"DTXSID60377826","Formula":"C5H4F9N","All.Compound.Names":"1h,1h-perfluoropentylamine|Dtxsid60377826|355-27-1","logHenry":-9.439,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.199,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.532,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.727,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.973,"MP.Reference":"EPA-CCD-OPERA","MW":249.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.03","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"355-27-1"}
{"Compound":"3-(perfluoropropyl)propanol","CAS":"679-02-7","CAS.Checksum":true,"DTXSID":"DTXSID60379269","Formula":"C6H7F7O","All.Compound.Names":"3-(perfluoropropyl)propanol|Dtxsid60379269|679-02-7","logHenry":-7.584,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.313,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.771,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.637,"logWSol.Reference":"EPA-CCD-OPERA","MP":3.39,"MP.Reference":"EPA-CCD-OPERA","MW":228.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"679-02-7"}
{"Compound":"(perfluoro-5-methylhexyl)ethyl 2-methylprop-2-enoate","CAS":"50836-66-3","CAS.Checksum":true,"DTXSID":"DTXSID60379901","Formula":"C13H9F15O2","All.Compound.Names":"(perfluoro-5-methylhexyl)ethyl 2-methylprop-2-enoate|Dtxsid60379901","logHenry":-6.577,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.731,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2942,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.091,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.573,"MP.Reference":"EPA-CCD-OPERA","MW":482.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"50836-66-3"}
{"Compound":"2,2,2-trifluoroethyl perfluorobutanesulfonate","CAS":"79963-95-4","CAS.Checksum":true,"DTXSID":"DTXSID60380390","Formula":"C6H2F12O3S","All.Compound.Names":"2,2,2-trifluoroethyl perfluorobutanesulfonate|Dtxsid60380390","logHenry":-1.955,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.676,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.487,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.744,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.95,"MP.Reference":"EPA-CCD-OPERA","MW":382.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"79963-95-4"}
{"Compound":"Nonafluoropentanamide","CAS":"13485-61-5","CAS.Checksum":true,"DTXSID":"DTXSID60400587","Formula":"C5H2F9NO","All.Compound.Names":"Nonafluoropentanamide|Dtxsid60400587|13485-61-5","logHenry":-9.555,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.967,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.244,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.348,"logWSol.Reference":"EPA-CCD-OPERA","MP":10.46,"MP.Reference":"EPA-CCD-OPERA","MW":263.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"13485-61-5"}
{"Compound":"Ethyl formate","CAS":"109-94-4","CAS.Checksum":true,"DTXSID":"DTXSID6040117","Formula":"C3H6O2","All.Compound.Names":"Ethyl formate|Dtxsid6040117","logHenry":-3.418,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.2301,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.02,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1128,"logWSol.Reference":"EPA-CCD-OPERA","MP":-79.86,"MP.Reference":"EPA-CCD-OPERA","MW":74.08,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-94-4"}
{"Compound":"Trans,trans,trans-1,5,9-cyclododecatriene","CAS":"676-22-2","CAS.Checksum":true,"DTXSID":"DTXSID6040791","Formula":"C12H18","All.Compound.Names":"Trans,trans,trans-1,5,9-cyclododecatriene|Dtxsid6040791","logHenry":-1.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.5,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2499,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.106,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.15,"MP.Reference":"EPA-CCD-OPERA","MW":162.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"676-22-2"}
{"Compound":"Ambrettolide","CAS":"7779-50-2","CAS.Checksum":true,"DTXSID":"DTXSID6040799","Formula":"C16H28O2","All.Compound.Names":"Ambrettolide|Dtxsid6040799","logHenry":-7.734,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.518,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.396,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.414,"logWSol.Reference":"EPA-CCD-OPERA","MP":23.56,"MP.Reference":"EPA-CCD-OPERA","MW":252.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7779-50-2"}
{"Compound":"Fenchlorazole-ethyl","CAS":"103112-35-2","CAS.Checksum":true,"DTXSID":"DTXSID6041268","Formula":"C12H8Cl5N3O2","All.Compound.Names":"Fenchlorazole-ethyl|Dtxsid6041268|103112-35-2","logHenry":-8.191,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.683,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.779,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.649,"logWSol.Reference":"EPA-CCD-OPERA","MP":109.9,"MP.Reference":"EPA-CCD-OPERA","MW":403.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.18","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"103112-35-2"}
{"Compound":"Benzyldimethyloctylammonium chloride","CAS":"959-55-7","CAS.Checksum":true,"DTXSID":"DTXSID6041634","Formula":"C17H30ClN","All.Compound.Names":"Benzyldimethyloctylammonium chloride|Dtxsid6041634|Benzalkonium chloride c8 (bac c8)|959-55-7","logHenry":-2.912,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9195,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.3,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.721,"logWSol.Reference":"EPA-CCD-OPERA","MP":124.5,"MP.Reference":"EPA-CCD-OPERA","MW":283.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.48","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"959-55-7"}
{"Compound":"2-methoxypropionic acid","CAS":"4324-37-2","CAS.Checksum":true,"DTXSID":"DTXSID6044018","Formula":"C4H8O3","All.Compound.Names":"2-methoxypropionic acid|Dtxsid6044018|4324-37-2","logHenry":-6.609,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.02211,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.262,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.379,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.3404,"MP.Reference":"EPA-CCD-OPERA","MW":104.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4324-37-2"}
{"Compound":"2,5-dimethylbenzenesulfonic acid monohydrate","CAS":"273200-04-7","CAS.Checksum":true,"DTXSID":"DTXSID6044305","Formula":"C8H12O4S","All.Compound.Names":"2,5-dimethylbenzenesulfonic acid monohydrate|Dtxsid6044305|273200-04-7","logHenry":-7.871,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.265,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.65,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1014,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.61,"MP.Reference":"EPA-CCD-OPERA","MW":204.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"273200-04-7"}
{"Compound":"3-(4-methoxyphenyl)-2-methylpropanal","CAS":"5462-06-6","CAS.Checksum":true,"DTXSID":"DTXSID6044567","Formula":"C11H14O2","All.Compound.Names":"3-(4-methoxyphenyl)-2-methylpropanal|Dtxsid6044567","logHenry":-3.911,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.444,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.323,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.138,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.41,"MP.Reference":"EPA-CCD-OPERA","MW":178.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5462-06-6"}
{"Compound":"Selamectin","CAS":"220119-17-5","CAS.Checksum":true,"DTXSID":"DTXSID6045903","Formula":"C43H63NO11","All.Compound.Names":"Selamectin|Dtxsid6045903|220119-17-5","logHenry":-7.957,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.674,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.916,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.25,"logWSol.Reference":"EPA-CCD-OPERA","MP":205.1,"MP.Reference":"EPA-CCD-OPERA","MW":770,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"220119-17-5"}
{"Compound":"Glycolic acid sodium salt","CAS":"2836-32-0","CAS.Checksum":true,"DTXSID":"DTXSID6047153","Formula":"C2H3NaO3","All.Compound.Names":"Glycolic acid sodium salt|Dtxsid6047153|2836-32-0","logHenry":-8.27,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.877,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.399,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4829,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.21,"MP.Reference":"EPA-CCD-OPERA","MW":98.03,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2836-32-0"}
{"Compound":"2,6-nonadien-1-ol","CAS":"7786-44-9","CAS.Checksum":true,"DTXSID":"DTXSID6047232","Formula":"C9H16O","All.Compound.Names":"2,6-nonadien-1-ol|Dtxsid6047232|7786-44-9","logHenry":-5.128,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.013,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.453,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.295,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.173,"MP.Reference":"EPA-CCD-OPERA","MW":140.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7786-44-9"}
{"Compound":"3,3,4,4,5,5,6,6,6-nonafluorohexene","CAS":"19430-93-4","CAS.Checksum":true,"DTXSID":"DTXSID6047575","Formula":"C6H3F9","All.Compound.Names":"3,3,4,4,5,5,6,6,6-nonafluorohexene|Dtxsid6047575|(perfluorobutyl)ethene","logHenry":-2.361,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.003,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.406,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.041,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.51,"MP.Reference":"EPA-CCD-OPERA","MW":246.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"19430-93-4"}
{"Compound":"4-heptanone","CAS":"123-19-3","CAS.Checksum":true,"DTXSID":"DTXSID6047650","Formula":"C7H14O","All.Compound.Names":"4-heptanone|Dtxsid6047650","logHenry":-3.967,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.039,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.008,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.424,"logWSol.Reference":"EPA-CCD-OPERA","MP":-34.36,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-19-3"}
{"Compound":"2,5-dimethylpyrazine","CAS":"123-32-0","CAS.Checksum":true,"DTXSID":"DTXSID6047652","Formula":"C6H8N2","All.Compound.Names":"2,5-dimethylpyrazine|Dtxsid6047652|123-32-0","logHenry":-5.359,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6297,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.104,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.147,"logWSol.Reference":"EPA-CCD-OPERA","MP":31.08,"MP.Reference":"EPA-CCD-OPERA","MW":108.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"123-32-0"}
{"Compound":"Propoxyphene hydrochloride","CAS":"1639-60-7","CAS.Checksum":true,"DTXSID":"DTXSID6048913","Formula":"C22H30ClNO2","All.Compound.Names":"Propoxyphene hydrochloride|Dtxsid6048913|1639-60-7","logHenry":-7.414,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9805,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.598,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.985,"logWSol.Reference":"EPA-CCD-OPERA","MP":174,"MP.Reference":"EPA-CCD-OPERA","MW":375.9,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1639-60-7"}
{"Compound":"Perfluoro(4-methoxybutanoic acid)","CAS":"863090-89-5","CAS.Checksum":true,"DTXSID":"DTXSID60500450","Formula":"C5HF9O3","All.Compound.Names":"Perfluoro(4-methoxybutanoic acid)|Dtxsid60500450|863090-89-5","logHenry":-3.361,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.089,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.576,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.975,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.73,"MP.Reference":"EPA-CCD-OPERA","MW":280,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"863090-89-5"}
{"Compound":"1-methyl-4-(1-methylvinyl)cyclohexyl acetate","CAS":"10198-23-9","CAS.Checksum":true,"DTXSID":"DTXSID6051510","Formula":"C12H20O2","All.Compound.Names":"1-methyl-4-(1-methylvinyl)cyclohexyl acetate|Dtxsid6051510","logHenry":-3.818,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.08,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.67,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.367,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.952,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10198-23-9"}
{"Compound":"2,6-dimethylheptan-4-yl acetate","CAS":"10250-45-0","CAS.Checksum":true,"DTXSID":"DTXSID6051516","Formula":"C11H22O2","All.Compound.Names":"2,6-dimethylheptan-4-yl acetate|Dtxsid6051516","logHenry":-3.266,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.98,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.009,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.748,"logWSol.Reference":"EPA-CCD-OPERA","MP":-47.78,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10250-45-0"}
{"Compound":"1-(2,6,6-trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one","CAS":"127-43-5","CAS.Checksum":true,"DTXSID":"DTXSID6051643","Formula":"C14H22O","All.Compound.Names":"1-(2,6,6-trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one|Dtxsid6051643","logHenry":-3.503,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.992,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.251,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.971,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.14,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127-43-5"}
{"Compound":"4-bromophenylacetonitrile","CAS":"16532-79-9","CAS.Checksum":true,"DTXSID":"DTXSID6051774","Formula":"C8H6BrN","All.Compound.Names":"4-bromophenylacetonitrile|Dtxsid6051774","logHenry":-3.613,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.441,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.308,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.436,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.76,"MP.Reference":"EPA-CCD-OPERA","MW":196,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16532-79-9"}
{"Compound":"Toluene-2,4-dimaleimide","CAS":"6422-83-9","CAS.Checksum":true,"DTXSID":"DTXSID6052326","Formula":"C15H10N2O4","All.Compound.Names":"Toluene-2,4-dimaleimide|Dtxsid6052326|6422-83-9","logHenry":-8.68,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.442,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.25,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.869,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.5,"MP.Reference":"EPA-CCD-OPERA","MW":282.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.98","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6422-83-9"}
{"Compound":"3-methyl-1-p-tolyl-5-pyrazolone","CAS":"86-92-0","CAS.Checksum":true,"DTXSID":"DTXSID6052588","Formula":"C11H12N2O","All.Compound.Names":"3-methyl-1-p-tolyl-5-pyrazolone|Dtxsid6052588|86-92-0","logHenry":-6.32,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.915,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.225,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.223,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.3,"MP.Reference":"EPA-CCD-OPERA","MW":188.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"-0.03","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86-92-0"}
{"Compound":"2-chloroacrylonitrile","CAS":"920-37-6","CAS.Checksum":true,"DTXSID":"DTXSID6052613","Formula":"C3H2ClN","All.Compound.Names":"2-chloroacrylonitrile|Dtxsid6052613","logHenry":-5.808,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.088,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.03,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4013,"logWSol.Reference":"EPA-CCD-OPERA","MP":-64.97,"MP.Reference":"EPA-CCD-OPERA","MW":87.51,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"920-37-6"}
{"Compound":"N-cyanoethyl-hydroxyethyl aniline","CAS":"92-64-8","CAS.Checksum":true,"DTXSID":"DTXSID6052617","Formula":"C11H14N2O","All.Compound.Names":"N-cyanoethyl-hydroxyethyl aniline|Dtxsid6052617|92-64-8","logHenry":-6.849,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.075,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.861,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.485,"logWSol.Reference":"EPA-CCD-OPERA","MP":116.7,"MP.Reference":"EPA-CCD-OPERA","MW":190.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.82","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92-64-8"}
{"Compound":"Triethylene glycol monododecyl ether","CAS":"3055-94-5","CAS.Checksum":true,"DTXSID":"DTXSID6058631","Formula":"C18H38O4","All.Compound.Names":"Triethylene glycol monododecyl ether|Dtxsid6058631|3055-94-5","logHenry":-7.584,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.219,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.273,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.976,"logWSol.Reference":"EPA-CCD-OPERA","MP":-22.1,"MP.Reference":"EPA-CCD-OPERA","MW":318.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.25","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3055-94-5"}
{"Compound":"Hexaethylene glycol monododecyl ether","CAS":"3055-96-7","CAS.Checksum":true,"DTXSID":"DTXSID6058633","Formula":"C24H50O7","All.Compound.Names":"Hexaethylene glycol monododecyl ether|Dtxsid6058633|3055-96-7","logHenry":-7.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.366,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.926,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.609,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.425,"MP.Reference":"EPA-CCD-OPERA","MW":450.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.25","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3055-96-7"}
{"Compound":"Heptadecane, 2,6,10,15-tetramethyl","CAS":"54833-48-6","CAS.Checksum":true,"DTXSID":"DTXSID6058635","Formula":"C21H44","All.Compound.Names":"Heptadecane, 2,6,10,15-tetramethyl|Dtxsid6058635","logHenry":-5.261,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.479,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6154,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.978,"logWSol.Reference":"EPA-CCD-OPERA","MP":-51.7,"MP.Reference":"EPA-CCD-OPERA","MW":296.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54833-48-6"}
{"Compound":"Heptacosane","CAS":"593-49-7","CAS.Checksum":true,"DTXSID":"DTXSID6058637","Formula":"C27H56","All.Compound.Names":"Heptacosane|Dtxsid6058637","logHenry":-6.123,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.178,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.543,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.098,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.69,"MP.Reference":"EPA-CCD-OPERA","MW":380.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"593-49-7"}
{"Compound":"Octacosane","CAS":"630-02-4","CAS.Checksum":true,"DTXSID":"DTXSID6058639","Formula":"C28H58","All.Compound.Names":"Octacosane|Dtxsid6058639","logHenry":-6.128,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.196,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.503,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.085,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.5,"MP.Reference":"EPA-CCD-OPERA","MW":394.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"630-02-4"}
{"Compound":"(-)-diethyl-d-tartrate","CAS":"13811-71-7","CAS.Checksum":true,"DTXSID":"DTXSID6058689","Formula":"C8H14O6","All.Compound.Names":"(-)-diethyl-d-tartrate|Dtxsid6058689|13811-71-7","logHenry":-9.164,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2914,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.124,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9015,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.01,"MP.Reference":"EPA-CCD-OPERA","MW":206.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.18","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13811-71-7"}
{"Compound":"2,3,4-trimethylpentane","CAS":"565-75-3","CAS.Checksum":true,"DTXSID":"DTXSID6060343","Formula":"C8H18","All.Compound.Names":"2,3,4-trimethylpentane|Dtxsid6060343","logHenry":-0.4218,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.051,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6982,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.735,"logWSol.Reference":"EPA-CCD-OPERA","MP":-109.1,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"565-75-3"}
{"Compound":"P-tolyl benzoate","CAS":"614-34-6","CAS.Checksum":true,"DTXSID":"DTXSID6060632","Formula":"C14H12O2","All.Compound.Names":"P-tolyl benzoate|Dtxsid6060632","logHenry":-7.393,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.34,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.107,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.223,"logWSol.Reference":"EPA-CCD-OPERA","MP":70.75,"MP.Reference":"EPA-CCD-OPERA","MW":212.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"614-34-6"}
{"Compound":"3-ethylhexane","CAS":"619-99-8","CAS.Checksum":true,"DTXSID":"DTXSID6060713","Formula":"C8H18","All.Compound.Names":"3-ethylhexane|Dtxsid6060713","logHenry":-0.4269,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.853,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.877,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.993,"logWSol.Reference":"EPA-CCD-OPERA","MP":-110,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"619-99-8"}
{"Compound":"1,4-benzenedicarboxaldehyde","CAS":"623-27-8","CAS.Checksum":true,"DTXSID":"DTXSID6060769","Formula":"C8H6O2","All.Compound.Names":"1,4-benzenedicarboxaldehyde|Dtxsid6060769","logHenry":-6.267,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.9687,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.026,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.823,"logWSol.Reference":"EPA-CCD-OPERA","MP":96.86,"MP.Reference":"EPA-CCD-OPERA","MW":134.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"623-27-8"}
{"Compound":"1,5-hexadiyne","CAS":"628-16-0","CAS.Checksum":true,"DTXSID":"DTXSID6060848","Formula":"C6H6","All.Compound.Names":"1,5-hexadiyne|Dtxsid6060848","logHenry":-2.459,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.962,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2421,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.43,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.326,"MP.Reference":"EPA-CCD-OPERA","MW":78.11,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"628-16-0"}
{"Compound":"Perfluorosuccinic anhydride","CAS":"699-30-9","CAS.Checksum":true,"DTXSID":"DTXSID6061022","Formula":"C4F4O3","All.Compound.Names":"Perfluorosuccinic anhydride|Dtxsid6061022","logHenry":-5.103,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.01,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.948,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4989,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.56,"MP.Reference":"EPA-CCD-OPERA","MW":172,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"699-30-9"}
{"Compound":"Benzene, pentamethyl-","CAS":"700-12-9","CAS.Checksum":true,"DTXSID":"DTXSID6061024","Formula":"C11H16","All.Compound.Names":"Benzene, pentamethyl-|Dtxsid6061024","logHenry":-2.109,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.559,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.4955,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.997,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.38,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"700-12-9"}
{"Compound":"Methyl cumyl ether","CAS":"935-67-1","CAS.Checksum":true,"DTXSID":"DTXSID6061319","Formula":"C10H14O","All.Compound.Names":"Methyl cumyl ether|Dtxsid6061319","logHenry":-5.011,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.871,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.584,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.737,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.18,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"935-67-1"}
{"Compound":"Benzenebutanenitrile","CAS":"2046-18-6","CAS.Checksum":true,"DTXSID":"DTXSID6062129","Formula":"C10H11N","All.Compound.Names":"Benzenebutanenitrile|Dtxsid6062129","logHenry":-3.916,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.208,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.501,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.399,"logWSol.Reference":"EPA-CCD-OPERA","MP":4.814,"MP.Reference":"EPA-CCD-OPERA","MW":145.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2046-18-6"}
{"Compound":"Perfluoropentanoic acid","CAS":"2706-90-3","CAS.Checksum":true,"DTXSID":"DTXSID6062599","Formula":"C5HF9O2","All.Compound.Names":"Perfluoropentanoic acid|Dtxsid6062599|2706-90-3","logHenry":-9.527,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.353,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.406,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.342,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.57,"MP.Reference":"EPA-CCD-OPERA","MW":264,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.8","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"2706-90-3"}
{"Compound":"5-methylchrysene","CAS":"3697-24-3","CAS.Checksum":true,"DTXSID":"DTXSID6063143","Formula":"C19H14","All.Compound.Names":"5-methylchrysene|Dtxsid6063143","logHenry":-5.233,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.716,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.107,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.591,"logWSol.Reference":"EPA-CCD-OPERA","MP":149.6,"MP.Reference":"EPA-CCD-OPERA","MW":242.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3697-24-3"}
{"Compound":"Dodecane, 1-isocyanato-","CAS":"4202-38-4","CAS.Checksum":true,"DTXSID":"DTXSID6063351","Formula":"C13H25NO","All.Compound.Names":"Dodecane, 1-isocyanato-|Dtxsid6063351|4202-38-4","logHenry":-4.303,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.636,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.147,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.257,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.752,"MP.Reference":"EPA-CCD-OPERA","MW":211.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4202-38-4"}
{"Compound":"1,3-dimethyl-5-isopropylbenzene","CAS":"4706-90-5","CAS.Checksum":true,"DTXSID":"DTXSID6063567","Formula":"C11H16","All.Compound.Names":"1,3-dimethyl-5-isopropylbenzene|Dtxsid6063567","logHenry":-2.103,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.51,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.4672,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.513,"logWSol.Reference":"EPA-CCD-OPERA","MP":-80.09,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4706-90-5"}
{"Compound":"Lauryl 3-mercaptopropionate","CAS":"6380-71-8","CAS.Checksum":true,"DTXSID":"DTXSID6064298","Formula":"C15H30O2S","All.Compound.Names":"Lauryl 3-mercaptopropionate|Dtxsid6064298|6380-71-8","logHenry":-7.101,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.075,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.129,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.814,"logWSol.Reference":"EPA-CCD-OPERA","MP":-84.81,"MP.Reference":"EPA-CCD-OPERA","MW":274.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6380-71-8"}
{"Compound":"Perfluoro-4-isopropoxybutanoic acid","CAS":"801212-59-9","CAS.Checksum":true,"DTXSID":"DTXSID60663110","Formula":"C7HF13O3","All.Compound.Names":"Perfluoro-4-isopropoxybutanoic acid|Dtxsid60663110|801212-59-9","logHenry":-3.204,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.385,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6911,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.771,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.76,"MP.Reference":"EPA-CCD-OPERA","MW":380.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.34","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"801212-59-9"}
{"Compound":"6:2 fluorotelomer sulfonic acid","CAS":"27619-97-2","CAS.Checksum":true,"DTXSID":"DTXSID6067331","Formula":"C8H5F13O3S","All.Compound.Names":"6:2 fluorotelomer sulfonic acid|Dtxsid6067331|27619-97-2","logHenry":-9.737,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.727,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.983,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.92,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.4,"MP.Reference":"EPA-CCD-OPERA","MW":428.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"27619-97-2"}
{"Compound":"7-octadecyne, 2-methyl-","CAS":"35354-38-2","CAS.Checksum":true,"DTXSID":"DTXSID6067915","Formula":"C19H36","All.Compound.Names":"7-octadecyne, 2-methyl-|Dtxsid6067915","logHenry":-5.259,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.707,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2957,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.217,"logWSol.Reference":"EPA-CCD-OPERA","MP":-65.18,"MP.Reference":"EPA-CCD-OPERA","MW":264.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35354-38-2"}
{"Compound":"Cyclopentane, pentyl-","CAS":"3741-00-2","CAS.Checksum":true,"DTXSID":"DTXSID6074708","Formula":"C10H20","All.Compound.Names":"Cyclopentane, pentyl-|Dtxsid6074708","logHenry":-1.171,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.498,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.9142,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.077,"logWSol.Reference":"EPA-CCD-OPERA","MP":-115.8,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3741-00-2"}
{"Compound":"Bis(7-methyloctyl) phthalate","CAS":"20548-62-3","CAS.Checksum":true,"DTXSID":"DTXSID60860420","Formula":"C26H42O4","All.Compound.Names":"Bis(7-methyloctyl) phthalate|Dtxsid60860420","logHenry":-6.826,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.701,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.003,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.766,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.55,"MP.Reference":"EPA-CCD-OPERA","MW":418.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20548-62-3"}
{"Compound":"9r-paliperidone","CAS":"130049-85-3","CAS.Checksum":true,"DTXSID":"DTXSID60861376","Formula":"C23H27FN4O3","All.Compound.Names":"9r-paliperidone|Dtxsid60861376|130049-85-3","logHenry":-7.697,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.75,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.517,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.552,"logWSol.Reference":"EPA-CCD-OPERA","MP":150.1,"MP.Reference":"EPA-CCD-OPERA","MW":426.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.36","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"130049-85-3"}
{"Compound":"(+/-)-aromadendrene","CAS":"72747-25-2","CAS.Checksum":true,"DTXSID":"DTXSID60862020","Formula":"C15H24","All.Compound.Names":"(+/-)-aromadendrene|Dtxsid60862020","logHenry":-2.261,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.79,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.772,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.369,"logWSol.Reference":"EPA-CCD-OPERA","MP":7.014,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72747-25-2"}
{"Compound":"Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-","CAS":"18358-53-7","CAS.Checksum":true,"DTXSID":"DTXSID60862166","Formula":"C10H16O","All.Compound.Names":"Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-|Dtxsid60862166","logHenry":-4.057,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.991,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.837,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.048,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.641,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18358-53-7"}
{"Compound":"2h-pyran-2-one, tetrahydro-6-nonyl-","CAS":"2721-22-4","CAS.Checksum":true,"DTXSID":"DTXSID60863012","Formula":"C14H26O2","All.Compound.Names":"2h-pyran-2-one, tetrahydro-6-nonyl-|Dtxsid60863012|Delta-lactone","logHenry":-7.73,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.118,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.296,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.024,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.217,"MP.Reference":"EPA-CCD-OPERA","MW":226.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2721-22-4"}
{"Compound":"2,6-dimethyldecane","CAS":"13150-81-7","CAS.Checksum":true,"DTXSID":"DTXSID60864367","Formula":"C12H26","All.Compound.Names":"2,6-dimethyldecane|Dtxsid60864367","logHenry":-0.8321,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.181,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.126,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.098,"logWSol.Reference":"EPA-CCD-OPERA","MP":-82.61,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13150-81-7"}
{"Compound":"2,6,11-trimethyldodecane","CAS":"31295-56-4","CAS.Checksum":true,"DTXSID":"DTXSID60865591","Formula":"C15H32","All.Compound.Names":"2,6,11-trimethyldodecane|Dtxsid60865591","logHenry":-1.731,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.51,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.159,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.441,"logWSol.Reference":"EPA-CCD-OPERA","MP":-115.2,"MP.Reference":"EPA-CCD-OPERA","MW":212.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31295-56-4"}
{"Compound":"6-dodecanol","CAS":"6836-38-0","CAS.Checksum":true,"DTXSID":"DTXSID60871172","Formula":"C12H26O","All.Compound.Names":"6-dodecanol|Dtxsid60871172|6836-38-0","logHenry":-4.699,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.62,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.812,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.558,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.55,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6836-38-0"}
{"Compound":"1-hexene, 4,5-dimethyl-","CAS":"16106-59-5","CAS.Checksum":true,"DTXSID":"DTXSID60871253","Formula":"C8H16","All.Compound.Names":"1-hexene, 4,5-dimethyl-|Dtxsid60871253","logHenry":-0.6308,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.107,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3666,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.439,"logWSol.Reference":"EPA-CCD-OPERA","MP":-110.4,"MP.Reference":"EPA-CCD-OPERA","MW":112.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16106-59-5"}
{"Compound":"Dextromethorphan hydrobromide","CAS":"125-69-9","CAS.Checksum":true,"DTXSID":"DTXSID60872346","Formula":"C18H26BrNO","All.Compound.Names":"Dextromethorphan hydrobromide|Dtxsid60872346|125-69-9","logHenry":-5.09,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.024,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.748,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.99,"logWSol.Reference":"EPA-CCD-OPERA","MP":219.2,"MP.Reference":"EPA-CCD-OPERA","MW":352.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"125-69-9"}
{"Compound":"(2e,4e)-hepta-2,4-dienal","CAS":"4313-03-5","CAS.Checksum":true,"DTXSID":"DTXSID60872846","Formula":"C7H10O","All.Compound.Names":"(2e,4e)-hepta-2,4-dienal|Dtxsid60872846","logHenry":-4.25,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.751,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.005,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.241,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.81,"MP.Reference":"EPA-CCD-OPERA","MW":110.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4313-03-5"}
{"Compound":"2,4-dimethylhexane","CAS":"589-43-5","CAS.Checksum":true,"DTXSID":"DTXSID60873237","Formula":"C8H18","All.Compound.Names":"2,4-dimethylhexane|Dtxsid60873237","logHenry":-0.4243,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.837,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3448,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.87,"logWSol.Reference":"EPA-CCD-OPERA","MP":-103.6,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"589-43-5"}
{"Compound":"1,4,5,8-tetramethylnaphthalene","CAS":"2717-39-7","CAS.Checksum":true,"DTXSID":"DTXSID60873252","Formula":"C14H16","All.Compound.Names":"1,4,5,8-tetramethylnaphthalene|Dtxsid60873252","logHenry":-3.238,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.854,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.403,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.174,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.74,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2717-39-7"}
{"Compound":"7-methylpentadecane","CAS":"6165-40-8","CAS.Checksum":true,"DTXSID":"DTXSID60873318","Formula":"C16H34","All.Compound.Names":"7-methylpentadecane|Dtxsid60873318","logHenry":-2.074,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.044,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6076,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.406,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.05,"MP.Reference":"EPA-CCD-OPERA","MW":226.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6165-40-8"}
{"Compound":"Benzene, (1-methyldecyl)-","CAS":"4536-88-3","CAS.Checksum":true,"DTXSID":"DTXSID60874981","Formula":"C17H28","All.Compound.Names":"Benzene, (1-methyldecyl)-|Dtxsid60874981","logHenry":-2.882,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.627,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1822,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.952,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.966,"MP.Reference":"EPA-CCD-OPERA","MW":232.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4536-88-3"}
{"Compound":"Cyclohexane, 1-(cyclohexylmethyl)-2-methyl-, trans-","CAS":"54823-94-8","CAS.Checksum":true,"DTXSID":"DTXSID60880643","Formula":"C14H26","All.Compound.Names":"Cyclohexane, 1-(cyclohexylmethyl)-2-methyl-, trans-|Dtxsid60880643","logHenry":-2.238,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.131,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.599,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.109,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.08,"MP.Reference":"EPA-CCD-OPERA","MW":194.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54823-94-8"}
{"Compound":"2,6,10,14,18-pentamethyl-2,6,10,14,18-eicosapentaene","CAS":"75581-03-2","CAS.Checksum":true,"DTXSID":"DTXSID60880648","Formula":"C25H42","All.Compound.Names":"2,6,10,14,18-pentamethyl-2,6,10,14,18-eicosapentaene|Dtxsid60880648","logHenry":-4.731,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.227,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.873,"logWSol.Reference":"EPA-CCD-OPERA","MP":-48.54,"MP.Reference":"EPA-CCD-OPERA","MW":342.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75581-03-2"}
{"Compound":"Anthracene, 9-(2-propenyl)-","CAS":"23707-65-5","CAS.Checksum":true,"DTXSID":"DTXSID60880663","Formula":"C17H14","All.Compound.Names":"Anthracene, 9-(2-propenyl)-|Dtxsid60880663","logHenry":-4.449,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.69,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.723,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.679,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.53,"MP.Reference":"EPA-CCD-OPERA","MW":218.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23707-65-5"}
{"Compound":"4,7,10,13,16-pentaoxanonadeca-1,18-diene","CAS":"58185-54-9","CAS.Checksum":true,"DTXSID":"DTXSID60880668","Formula":"C14H26O5","All.Compound.Names":"4,7,10,13,16-pentaoxanonadeca-1,18-diene|Dtxsid60880668","logHenry":-6.065,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.187,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.225,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.835,"logWSol.Reference":"EPA-CCD-OPERA","MP":-32.61,"MP.Reference":"EPA-CCD-OPERA","MW":274.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58185-54-9"}
{"Compound":"1-pentadecene, 2-methyl-","CAS":"29833-69-0","CAS.Checksum":true,"DTXSID":"DTXSID60880683","Formula":"C16H32","All.Compound.Names":"1-pentadecene, 2-methyl-|Dtxsid60880683","logHenry":-3.431,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.689,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2438,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.448,"logWSol.Reference":"EPA-CCD-OPERA","MP":3.676,"MP.Reference":"EPA-CCD-OPERA","MW":224.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29833-69-0"}
{"Compound":"2,6-bis(1,1-dimethylethyl)-4-(1-oxopropyl)phenol","CAS":"14035-34-8","CAS.Checksum":true,"DTXSID":"DTXSID60880688","Formula":"C17H26O2","All.Compound.Names":"2,6-bis(1,1-dimethylethyl)-4-(1-oxopropyl)phenol|Dtxsid60880688|14035-34-8","logHenry":-8.831,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.964,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.046,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.868,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.08,"MP.Reference":"EPA-CCD-OPERA","MW":262.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.82","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14035-34-8"}
{"Compound":"Borane, [1,2-bis(1-methylethyl)butyl]bis(1-methylethyl)-","CAS":"74792-79-3","CAS.Checksum":true,"DTXSID":"DTXSID60880704","Formula":"C16H35B","All.Compound.Names":"Borane, [1,2-bis(1-methylethyl)butyl]bis(1-methylethyl)-|Dtxsid60880704","logHenry":-0.349,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.564,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.775,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.321,"logWSol.Reference":"EPA-CCD-OPERA","MP":-87.61,"MP.Reference":"EPA-CCD-OPERA","MW":238.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74792-79-3"}
{"Compound":"4-octene, 2,6-dimethyl-, [s-(e)]-","CAS":"62960-76-3","CAS.Checksum":true,"DTXSID":"DTXSID60880709","Formula":"C10H20","All.Compound.Names":"4-octene, 2,6-dimethyl-, [s-(e)]-|Dtxsid60880709","logHenry":-1.145,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.131,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.9865,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.454,"logWSol.Reference":"EPA-CCD-OPERA","MP":-101.6,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62960-76-3"}
{"Compound":"3-cholesteryl chloroformate","CAS":"7144-08-3","CAS.Checksum":true,"DTXSID":"DTXSID60880724","Formula":"C28H45ClO2","All.Compound.Names":"3-cholesteryl chloroformate|Dtxsid60880724","logHenry":-6.663,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.28,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.412,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.131,"logWSol.Reference":"EPA-CCD-OPERA","MP":129.7,"MP.Reference":"EPA-CCD-OPERA","MW":449.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7144-08-3"}
{"Compound":"Octane, 3,7-dimethyl-1-(2,5-xylyl)-","CAS":"19550-60-8","CAS.Checksum":true,"DTXSID":"DTXSID60880729","Formula":"C18H30","All.Compound.Names":"Octane, 3,7-dimethyl-1-(2,5-xylyl)-|Dtxsid60880729","logHenry":-3.237,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.353,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.068,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.848,"logWSol.Reference":"EPA-CCD-OPERA","MP":-31.25,"MP.Reference":"EPA-CCD-OPERA","MW":246.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19550-60-8"}
{"Compound":"Octane, 2,3,6,7-tetramethyl-","CAS":"52670-34-5","CAS.Checksum":true,"DTXSID":"DTXSID60880744","Formula":"C12H26","All.Compound.Names":"Octane, 2,3,6,7-tetramethyl-|Dtxsid60880744","logHenry":-0.8231,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.399,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.9293,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.034,"logWSol.Reference":"EPA-CCD-OPERA","MP":-60.91,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52670-34-5"}
{"Compound":"Cyclopentanone, 2-(1-methylheptyl)-","CAS":"54549-91-6","CAS.Checksum":true,"DTXSID":"DTXSID60880749","Formula":"C13H24O","All.Compound.Names":"Cyclopentanone, 2-(1-methylheptyl)-|Dtxsid60880749","logHenry":-3.728,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.734,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.989,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.703,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.794,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54549-91-6"}
{"Compound":"Cyclohexane, 1-(cyclohexylmethyl)-2-ethyl-, trans-","CAS":"54934-92-8","CAS.Checksum":true,"DTXSID":"DTXSID60880764","Formula":"C15H28","All.Compound.Names":"Cyclohexane, 1-(cyclohexylmethyl)-2-ethyl-, trans-|Dtxsid60880764","logHenry":-2.255,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.423,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8325,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.833,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.8,"MP.Reference":"EPA-CCD-OPERA","MW":208.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54934-92-8"}
{"Compound":"4-(2,6,6-trimethylcyclohexa-1,3-dienyl)but-3-en-2-one","CAS":"1203-08-3","CAS.Checksum":true,"DTXSID":"DTXSID60880769","Formula":"C13H18O","All.Compound.Names":"4-(2,6,6-trimethylcyclohexa-1,3-dienyl)but-3-en-2-one|Dtxsid60880769","logHenry":-3.527,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.827,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.535,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.388,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.8,"MP.Reference":"EPA-CCD-OPERA","MW":190.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1203-08-3"}
{"Compound":"(2s,3r,5s)-1,1,2-trimethyl-3,5-di(prop-1-en-2-yl)cyclohexane","CAS":"62337-97-7","CAS.Checksum":true,"DTXSID":"DTXSID60880784","Formula":"C15H26","All.Compound.Names":"(2s,3r,5s)-1,1,2-trimethyl-3,5-di(prop-1-en-2-yl)cyclohexane|Dtxsid60880784","logHenry":-1.49,"logHenry.Reference":"OPERA29","logP":5.71,"logP.Reference":"OPERA29","logWSol":-5.01,"logWSol.Reference":"OPERA29","MP":-25,"MP.Reference":"OPERA29","MW":206.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62337-97-7"}
{"Compound":"1h-cycloprop[e]azulene, decahydro-1,1,4,7-tetramethyl-, [1ar-(1a.alpha.,4.beta.,4a.beta.,7.beta.,7a.beta.,7b.alpha.)]-","CAS":"28580-43-0","CAS.Checksum":true,"DTXSID":"DTXSID60880789","Formula":"C15H26","All.Compound.Names":"1h-cycloprop[e]azulene, decahydro-1,1,4,7-tetramethyl-, [1ar-(1a.alpha.,4.beta.,4a.beta.,7.beta.,7a.beta.,7b.alpha.)]-|Dtxsid60880789|Ledane","logHenry":-3.04,"logHenry.Reference":"OPERA29","logP":5.59,"logP.Reference":"OPERA29","logWSol":-5.85,"logWSol.Reference":"OPERA29","MP":-28,"MP.Reference":"OPERA29","MW":206.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28580-43-0"}
{"Compound":"Anthracene, 9,10-dihydro-9,9,10-trimethyl-","CAS":"14923-29-6","CAS.Checksum":true,"DTXSID":"DTXSID60880800","Formula":"C17H18","All.Compound.Names":"Anthracene, 9,10-dihydro-9,9,10-trimethyl-|Dtxsid60880800","logHenry":-3.384,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.088,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.327,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.356,"logWSol.Reference":"EPA-CCD-OPERA","MP":99.02,"MP.Reference":"EPA-CCD-OPERA","MW":222.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14923-29-6"}
{"Compound":"4-methylnaphtho[1,2-b]thiophene","CAS":"67388-11-8","CAS.Checksum":true,"DTXSID":"DTXSID60880805","Formula":"C13H10S","All.Compound.Names":"4-methylnaphtho[1,2-b]thiophene|Dtxsid60880805","logHenry":-4.088,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.497,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.313,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.981,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.74,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67388-11-8"}
{"Compound":"2-hexen-1-ol, 2-ethyl-","CAS":"50639-00-4","CAS.Checksum":true,"DTXSID":"DTXSID60880820","Formula":"C8H16O","All.Compound.Names":"2-hexen-1-ol, 2-ethyl-|Dtxsid60880820|50639-00-4","logHenry":-5.798,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.346,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.573,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.597,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.51,"MP.Reference":"EPA-CCD-OPERA","MW":128.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50639-00-4"}
{"Compound":"Rel-(2s,4ar,8ar)-2-ethyldecahydronaphthalene","CAS":"58462-32-1","CAS.Checksum":true,"DTXSID":"DTXSID60880825","Formula":"C12H22","All.Compound.Names":"Rel-(2s,4ar,8ar)-2-ethyldecahydronaphthalene|Dtxsid60880825","logHenry":-1.23,"logHenry.Reference":"OPERA29","logP":5.52,"logP.Reference":"OPERA29","logWSol":-6.85,"logWSol.Reference":"OPERA29","MP":-11,"MP.Reference":"OPERA29","MW":166.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58462-32-1"}
{"Compound":"Cis,cis-7,10,-hexadecadienal","CAS":"56829-23-3","CAS.Checksum":true,"DTXSID":"DTXSID60880840","Formula":"C16H28O","All.Compound.Names":"Cis,cis-7,10,-hexadecadienal|Dtxsid60880840","logHenry":-5.014,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.387,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.027,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.265,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.22,"MP.Reference":"EPA-CCD-OPERA","MW":236.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56829-23-3"}
{"Compound":"7-heptadecyne, 17-chloro-","CAS":"56554-75-7","CAS.Checksum":true,"DTXSID":"DTXSID60880845","Formula":"C17H31Cl","All.Compound.Names":"7-heptadecyne, 17-chloro-|Dtxsid60880845","logHenry":-4.944,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.075,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.4178,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.306,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.332,"MP.Reference":"EPA-CCD-OPERA","MW":270.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56554-75-7"}
{"Compound":"Cyclohexene, 1-octyl-","CAS":"15232-87-8","CAS.Checksum":true,"DTXSID":"DTXSID60880860","Formula":"C14H26","All.Compound.Names":"Cyclohexene, 1-octyl-|Dtxsid60880860","logHenry":-2.277,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.438,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.4391,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.321,"logWSol.Reference":"EPA-CCD-OPERA","MP":-103.4,"MP.Reference":"EPA-CCD-OPERA","MW":194.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15232-87-8"}
{"Compound":"3-tetradecene, (z)-","CAS":"41446-67-7","CAS.Checksum":true,"DTXSID":"DTXSID60880865","Formula":"C14H28","All.Compound.Names":"3-tetradecene, (z)-|Dtxsid60880865","logHenry":-1.959,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.854,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2104,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.943,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.6,"MP.Reference":"EPA-CCD-OPERA","MW":196.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41446-67-7"}
{"Compound":"1-chloro-2-dodecyloxyethane","CAS":"29677-36-9","CAS.Checksum":true,"DTXSID":"DTXSID60880880","Formula":"C14H29ClO","All.Compound.Names":"1-chloro-2-dodecyloxyethane|Dtxsid60880880","logHenry":-4.364,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.512,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8719,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.75,"logWSol.Reference":"EPA-CCD-OPERA","MP":-82.89,"MP.Reference":"EPA-CCD-OPERA","MW":248.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29677-36-9"}
{"Compound":"Benzenepropanenitrile, .beta.-imino-","CAS":"16187-90-9","CAS.Checksum":true,"DTXSID":"DTXSID60880885","Formula":"C9H8N2","All.Compound.Names":"Benzenepropanenitrile, .beta.-imino-|Dtxsid60880885|16187-90-9","logHenry":-8.656,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.657,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.988,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.461,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.7,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.38","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16187-90-9"}
{"Compound":"Trans-13-octadecenoic acid","CAS":"693-71-0","CAS.Checksum":true,"DTXSID":"DTXSID60880901","Formula":"C18H34O2","All.Compound.Names":"Trans-13-octadecenoic acid|Dtxsid60880901|693-71-0","logHenry":-7.216,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.551,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.061,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.812,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.89,"MP.Reference":"EPA-CCD-OPERA","MW":282.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.23","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"693-71-0"}
{"Compound":"Carbonic acid, butyl phenyl ester","CAS":"4824-76-4","CAS.Checksum":true,"DTXSID":"DTXSID60880906","Formula":"C11H14O3","All.Compound.Names":"Carbonic acid, butyl phenyl ester|Dtxsid60880906","logHenry":-4.24,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.715,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.017,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.928,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.4355,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4824-76-4"}
{"Compound":"5h-dibenzo[a,c]cyclohepten-5-ol","CAS":"80636-47-1","CAS.Checksum":true,"DTXSID":"DTXSID60880921","Formula":"C15H12O","All.Compound.Names":"5h-dibenzo[a,c]cyclohepten-5-ol|Dtxsid60880921|80636-47-1","logHenry":-6.914,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.353,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.378,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.32,"logWSol.Reference":"EPA-CCD-OPERA","MP":107.9,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80636-47-1"}
{"Compound":"Cyclohexane, (2-ethyl-1-methylbutylidene)-","CAS":"74810-41-6","CAS.Checksum":true,"DTXSID":"DTXSID60880926","Formula":"C13H24","All.Compound.Names":"Cyclohexane, (2-ethyl-1-methylbutylidene)-|Dtxsid60880926","logHenry":-1.729,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.519,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3139,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.913,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.52,"MP.Reference":"EPA-CCD-OPERA","MW":180.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74810-41-6"}
{"Compound":"(-)-beta-elemene","CAS":"515-13-9","CAS.Checksum":true,"DTXSID":"DTXSID60881211","Formula":"C15H24","All.Compound.Names":"(-)-beta-elemene|Dtxsid60881211","logHenry":-1.972,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.912,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1755,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.925,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.171,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"515-13-9"}
{"Compound":"(2z)-3,7-dimethylocta-2,6-dienal","CAS":"106-26-3","CAS.Checksum":true,"DTXSID":"DTXSID60881216","Formula":"C10H16O","All.Compound.Names":"(2z)-3,7-dimethylocta-2,6-dienal|Dtxsid60881216","logHenry":-4.257,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.998,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.012,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.061,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.15,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-26-3"}
{"Compound":"11,14-eicosadienoic acid, methyl ester","CAS":"2463-02-7","CAS.Checksum":true,"DTXSID":"DTXSID60881251","Formula":"C21H38O2","All.Compound.Names":"11,14-eicosadienoic acid, methyl ester|Dtxsid60881251","logHenry":-6.648,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.953,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.875,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.703,"logWSol.Reference":"EPA-CCD-OPERA","MP":-23.43,"MP.Reference":"EPA-CCD-OPERA","MW":322.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2463-02-7"}
{"Compound":"Sodium perfluorodecanesulfonate","CAS":"2806-15-7","CAS.Checksum":true,"DTXSID":"DTXSID60892443","Formula":"C10F21NaO3S","All.Compound.Names":"Sodium perfluorodecanesulfonate|Dtxsid60892443|2806-15-7","logHenry":-9.481,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.66,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.103,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.49,"logWSol.Reference":"EPA-CCD-OPERA","MP":213.7,"MP.Reference":"EPA-CCD-OPERA","MW":622.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"2806-15-7"}
{"Compound":"Octane, 2,2,7,7-tetramethyl-","CAS":"1071-31-4","CAS.Checksum":true,"DTXSID":"DTXSID70147911","Formula":"C12H26","All.Compound.Names":"Octane, 2,2,7,7-tetramethyl-|Dtxsid70147911","logHenry":-0.8222,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.168,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4317,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.96,"logWSol.Reference":"EPA-CCD-OPERA","MP":-50.35,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1071-31-4"}
{"Compound":"Benzene, (1-ethylpropyl)- (8ci)(9ci)","CAS":"1196-58-3","CAS.Checksum":true,"DTXSID":"DTXSID70152520","Formula":"C11H16","All.Compound.Names":"Benzene, (1-ethylpropyl)- (8ci)(9ci)|Dtxsid70152520","logHenry":-2.101,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.696,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3013,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.275,"logWSol.Reference":"EPA-CCD-OPERA","MP":-70.05,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1196-58-3"}
{"Compound":"Ethylcyclooctane","CAS":"13152-02-8","CAS.Checksum":true,"DTXSID":"DTXSID70157095","Formula":"C10H20","All.Compound.Names":"Ethylcyclooctane|Dtxsid70157095","logHenry":-1.175,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.462,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8778,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.652,"logWSol.Reference":"EPA-CCD-OPERA","MP":-115.8,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13152-02-8"}
{"Compound":"6-chloro-1h-indole","CAS":"17422-33-2","CAS.Checksum":true,"DTXSID":"DTXSID70169794","Formula":"C8H6ClN","All.Compound.Names":"6-chloro-1h-indole|Dtxsid70169794|17422-33-2","logHenry":-6.771,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.248,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.237,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.646,"logWSol.Reference":"EPA-CCD-OPERA","MP":89.89,"MP.Reference":"EPA-CCD-OPERA","MW":151.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.15","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17422-33-2"}
{"Compound":"2,2'-dipyridyl disulfide","CAS":"2127-03-9","CAS.Checksum":true,"DTXSID":"DTXSID70175517","Formula":"C10H8N2S2","All.Compound.Names":"2,2'-dipyridyl disulfide|Dtxsid70175517|2127-03-9","logHenry":-4.331,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.483,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.542,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.949,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.81,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.73","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2127-03-9"}
{"Compound":"(3z,6e)-3,7,11-trimethyl-1,3,6,10-dodecatetraene","CAS":"26560-14-5","CAS.Checksum":true,"DTXSID":"DTXSID70181138","Formula":"C15H24","All.Compound.Names":"(3z,6e)-3,7,11-trimethyl-1,3,6,10-dodecatetraene|Dtxsid70181138","logHenry":-2.206,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.517,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3873,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.432,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.64,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26560-14-5"}
{"Compound":"Cyclotetradecane","CAS":"295-17-0","CAS.Checksum":true,"DTXSID":"DTXSID70183697","Formula":"C14H28","All.Compound.Names":"Cyclotetradecane|Dtxsid70183697","logHenry":-1.876,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.004,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.05329,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.854,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.9,"MP.Reference":"EPA-CCD-OPERA","MW":196.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"295-17-0"}
{"Compound":"2,3,5-trimethylphenanthrene","CAS":"3674-73-5","CAS.Checksum":true,"DTXSID":"DTXSID70190200","Formula":"C17H16","All.Compound.Names":"2,3,5-trimethylphenanthrene|Dtxsid70190200","logHenry":-4.576,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.308,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.647,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.192,"logWSol.Reference":"EPA-CCD-OPERA","MP":113.7,"MP.Reference":"EPA-CCD-OPERA","MW":220.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3674-73-5"}
{"Compound":"Perfluoro-3-methoxypropanoic acid","CAS":"377-73-1","CAS.Checksum":true,"DTXSID":"DTXSID70191136","Formula":"C4HF7O3","All.Compound.Names":"Perfluoro-3-methoxypropanoic acid|Dtxsid70191136|377-73-1","logHenry":-9.519,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.745,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.958,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8591,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.663,"MP.Reference":"EPA-CCD-OPERA","MW":230,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"377-73-1"}
{"Compound":"1,2-(methylenedioxy)-4-propylbenzene","CAS":"94-58-6","CAS.Checksum":true,"DTXSID":"DTXSID7020475","Formula":"C10H12O2","All.Compound.Names":"1,2-(methylenedioxy)-4-propylbenzene|Dtxsid7020475","logHenry":-3.913,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.582,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.23,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.899,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.06,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94-58-6"}
{"Compound":"Dibenzyl sulphone","CAS":"620-32-6","CAS.Checksum":true,"DTXSID":"DTXSID70211040","Formula":"C14H14O2S","All.Compound.Names":"Dibenzyl sulphone|Dtxsid70211040","logHenry":-5.692,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.761,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.447,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.046,"logWSol.Reference":"EPA-CCD-OPERA","MP":152,"MP.Reference":"EPA-CCD-OPERA","MW":246.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"620-32-6"}
{"Compound":"Octane, 2,2,4,4-tetramethyl-","CAS":"62183-79-3","CAS.Checksum":true,"DTXSID":"DTXSID70211227","Formula":"C12H26","All.Compound.Names":"Octane, 2,2,4,4-tetramethyl-|Dtxsid70211227","logHenry":-0.8182,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.056,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3197,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.942,"logWSol.Reference":"EPA-CCD-OPERA","MP":-50.35,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62183-79-3"}
{"Compound":"Octanoic anhydride","CAS":"623-66-5","CAS.Checksum":true,"DTXSID":"DTXSID70211363","Formula":"C16H30O3","All.Compound.Names":"Octanoic anhydride|Dtxsid70211363","logHenry":-6.951,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.463,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.741,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.946,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.9373,"MP.Reference":"EPA-CCD-OPERA","MW":270.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"623-66-5"}
{"Compound":"Nonadecan-2-one","CAS":"629-66-3","CAS.Checksum":true,"DTXSID":"DTXSID70212077","Formula":"C19H38O","All.Compound.Names":"Nonadecan-2-one|Dtxsid70212077","logHenry":-6.509,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.433,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.006,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.445,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.9,"MP.Reference":"EPA-CCD-OPERA","MW":282.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"629-66-3"}
{"Compound":"1,1,2,2-tetrachloroethane","CAS":"79-34-5","CAS.Checksum":true,"DTXSID":"DTXSID7021318","Formula":"C2H2Cl4","All.Compound.Names":"1,1,2,2-tetrachloroethane|Dtxsid7021318","logHenry":-3.433,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.505,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9595,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.756,"logWSol.Reference":"EPA-CCD-OPERA","MP":-43.78,"MP.Reference":"EPA-CCD-OPERA","MW":167.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79-34-5"}
{"Compound":"11-hexadecyn-1-ol","CAS":"65686-49-9","CAS.Checksum":true,"DTXSID":"DTXSID70215907","Formula":"C16H30O","All.Compound.Names":"11-hexadecyn-1-ol|Dtxsid70215907|65686-49-9","logHenry":-4.672,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.208,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.376,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.826,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.82,"MP.Reference":"EPA-CCD-OPERA","MW":238.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"65686-49-9"}
{"Compound":"3,4-dichloroaniline","CAS":"95-76-1","CAS.Checksum":true,"DTXSID":"DTXSID7021815","Formula":"C6H5Cl2N","All.Compound.Names":"3,4-dichloroaniline|Dtxsid7021815|95-76-1","logHenry":-6.759,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.693,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.818,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.024,"logWSol.Reference":"EPA-CCD-OPERA","MP":71.54,"MP.Reference":"EPA-CCD-OPERA","MW":162,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"3.47","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95-76-1"}
{"Compound":"Dibutyl (2e)-but-2-enedioate","CAS":"105-75-9","CAS.Checksum":true,"DTXSID":"DTXSID7021865","Formula":"C12H20O4","All.Compound.Names":"Dibutyl (2e)-but-2-enedioate|Dtxsid7021865","logHenry":-6.944,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.494,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.41,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.661,"logWSol.Reference":"EPA-CCD-OPERA","MP":-83.78,"MP.Reference":"EPA-CCD-OPERA","MW":228.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"105-75-9"}
{"Compound":"2-methyl-1-nonene-3-yne","CAS":"70058-00-3","CAS.Checksum":true,"DTXSID":"DTXSID70220339","Formula":"C10H16","All.Compound.Names":"2-methyl-1-nonene-3-yne|Dtxsid70220339","logHenry":-1.409,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.35,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4809,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.856,"logWSol.Reference":"EPA-CCD-OPERA","MP":-123.7,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"70058-00-3"}
{"Compound":"Lauryl acrylate","CAS":"2156-97-0","CAS.Checksum":true,"DTXSID":"DTXSID7022178","Formula":"C15H28O2","All.Compound.Names":"Lauryl acrylate|Dtxsid7022178","logHenry":-5.585,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.055,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.457,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.476,"logWSol.Reference":"EPA-CCD-OPERA","MP":-20.86,"MP.Reference":"EPA-CCD-OPERA","MW":240.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2156-97-0"}
{"Compound":"1,6-dioxacyclododecane-7,12-dione","CAS":"777-95-7","CAS.Checksum":true,"DTXSID":"DTXSID70228330","Formula":"C10H16O4","All.Compound.Names":"1,6-dioxacyclododecane-7,12-dione|Dtxsid70228330","logHenry":-8.723,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.29,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.079,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.177,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.07,"MP.Reference":"EPA-CCD-OPERA","MW":200.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"777-95-7"}
{"Compound":"Nandrolone decanoate","CAS":"360-70-3","CAS.Checksum":true,"DTXSID":"DTXSID7023352","Formula":"C28H44O3","All.Compound.Names":"Nandrolone decanoate|Dtxsid7023352","logHenry":-6.966,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.418,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.268,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.993,"logWSol.Reference":"EPA-CCD-OPERA","MP":137.8,"MP.Reference":"EPA-CCD-OPERA","MW":428.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"360-70-3"}
{"Compound":"Tramadol hydrochloride","CAS":"36282-47-0","CAS.Checksum":true,"DTXSID":"DTXSID7023691","Formula":"C16H26ClNO2","All.Compound.Names":"Tramadol hydrochloride|Dtxsid7023691|36282-47-0","logHenry":-5.952,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4588,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.477,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.053,"logWSol.Reference":"EPA-CCD-OPERA","MP":175.2,"MP.Reference":"EPA-CCD-OPERA","MW":299.8,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"36282-47-0"}
{"Compound":"N-(2-(dimethylamino)ethyl)acrylamide","CAS":"925-76-8","CAS.Checksum":true,"DTXSID":"DTXSID70239022","Formula":"C7H14N2O","All.Compound.Names":"N-(2-(dimethylamino)ethyl)acrylamide|Dtxsid70239022|925-76-8","logHenry":-8.006,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2499,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.362,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.0657,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.12,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.08","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"925-76-8"}
{"Compound":"Bis(2-ethylhexyl) isophthalate","CAS":"137-89-3","CAS.Checksum":true,"DTXSID":"DTXSID7024619","Formula":"C24H38O4","All.Compound.Names":"Bis(2-ethylhexyl) isophthalate|Dtxsid7024619","logHenry":-6.613,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.527,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.159,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.008,"logWSol.Reference":"EPA-CCD-OPERA","MP":-26.98,"MP.Reference":"EPA-CCD-OPERA","MW":390.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"137-89-3"}
{"Compound":"2-(methylthio)benzothiazole","CAS":"615-22-5","CAS.Checksum":true,"DTXSID":"DTXSID70274236","Formula":"C8H7NS2","All.Compound.Names":"2-(methylthio)benzothiazole|Dtxsid70274236|615-22-5","logHenry":-4.886,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.15,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.91,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.163,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.01,"MP.Reference":"EPA-CCD-OPERA","MW":181.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.74","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"8.86","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"615-22-5"}
{"Compound":"Sodium thiomethoxide","CAS":"5188-07-8","CAS.Checksum":true,"DTXSID":"DTXSID7027592","Formula":"CH3NaS","All.Compound.Names":"Sodium thiomethoxide|Dtxsid7027592|5188-07-8","logHenry":-2.329,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1524,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.507,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4369,"logWSol.Reference":"EPA-CCD-OPERA","MP":-126.2,"MP.Reference":"EPA-CCD-OPERA","MW":70.08,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.02","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5188-07-8"}
{"Compound":"Perfluoro-(2,5,8-trimethyl-3,6,9-trioxadodecanoic) acid","CAS":"65294-16-8","CAS.Checksum":true,"DTXSID":"DTXSID70276659","Formula":"C12HF23O5","All.Compound.Names":"Perfluoro-(2,5,8-trimethyl-3,6,9-trioxadodecanoic) acid|Dtxsid70276659|65294-16-8","logHenry":-9.468,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.885,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.538,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.419,"logWSol.Reference":"EPA-CCD-OPERA","MP":112.4,"MP.Reference":"EPA-CCD-OPERA","MW":662.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"65294-16-8"}
{"Compound":"N-methyl-n-(2-hydroxyethyl)perfluorooctanesulfonamide","CAS":"24448-09-7","CAS.Checksum":true,"DTXSID":"DTXSID7027831","Formula":"C11H8F17NO3S","All.Compound.Names":"N-methyl-n-(2-hydroxyethyl)perfluorooctanesulfonamide|Dtxsid7027831|24448-09-7","logHenry":-9.819,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.576,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.134,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.835,"logWSol.Reference":"EPA-CCD-OPERA","MP":66.78,"MP.Reference":"EPA-CCD-OPERA","MW":557.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"24448-09-7"}
{"Compound":"2,3,4,7,8-pentachlorodibenzofuran","CAS":"57117-31-4","CAS.Checksum":true,"DTXSID":"DTXSID7030066","Formula":"C12H3Cl5O","All.Compound.Names":"2,3,4,7,8-pentachlorodibenzofuran|Dtxsid7030066|57117-31-4","logHenry":-3.654,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.91,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.48,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-9.163,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.4,"MP.Reference":"EPA-CCD-OPERA","MW":340.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.52","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57117-31-4"}
{"Compound":"Anthracene, 9-dodecyltetradecahydro-","CAS":"55401-75-7","CAS.Checksum":true,"DTXSID":"DTXSID70303959","Formula":"C26H48","All.Compound.Names":"Anthracene, 9-dodecyltetradecahydro-|Dtxsid70303959","logHenry":-6.439,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.017,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.681,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.027,"logWSol.Reference":"EPA-CCD-OPERA","MP":59.77,"MP.Reference":"EPA-CCD-OPERA","MW":360.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55401-75-7"}
{"Compound":"1,19-eicosadiene","CAS":"14811-95-1","CAS.Checksum":true,"DTXSID":"DTXSID70333872","Formula":"C20H38","All.Compound.Names":"1,19-eicosadiene|Dtxsid70333872","logHenry":-5.271,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.23,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.7091,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.23,"logWSol.Reference":"EPA-CCD-OPERA","MP":-73.38,"MP.Reference":"EPA-CCD-OPERA","MW":278.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14811-95-1"}
{"Compound":"2,9-dimethylundecane","CAS":"17301-26-7","CAS.Checksum":true,"DTXSID":"DTXSID70333993","Formula":"C13H28","All.Compound.Names":"2,9-dimethylundecane|Dtxsid70333993","logHenry":-0.8374,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.503,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6291,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.876,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.77,"MP.Reference":"EPA-CCD-OPERA","MW":184.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17301-26-7"}
{"Compound":"1-ethyl-2-heptylcyclopropane","CAS":"74663-86-8","CAS.Checksum":true,"DTXSID":"DTXSID70335331","Formula":"C12H24","All.Compound.Names":"1-ethyl-2-heptylcyclopropane|Dtxsid70335331","logHenry":-1.183,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.881,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1881,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7,"logWSol.Reference":"EPA-CCD-OPERA","MP":-110.7,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74663-86-8"}
{"Compound":"Isobutyl phenyl carbonate","CAS":"13183-18-1","CAS.Checksum":true,"DTXSID":"DTXSID70335770","Formula":"C11H14O3","All.Compound.Names":"Isobutyl phenyl carbonate|Dtxsid70335770","logHenry":-4.265,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.722,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.136,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.905,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.908,"MP.Reference":"EPA-CCD-OPERA","MW":194.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13183-18-1"}
{"Compound":"7-octadecanone","CAS":"18277-00-4","CAS.Checksum":true,"DTXSID":"DTXSID70336803","Formula":"C18H36O","All.Compound.Names":"7-octadecanone|Dtxsid70336803","logHenry":-6.283,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.681,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.318,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.385,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.92,"MP.Reference":"EPA-CCD-OPERA","MW":268.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18277-00-4"}
{"Compound":"1-isopropyl-2,3-dimethylcyclopentane","CAS":"489-20-3","CAS.Checksum":true,"DTXSID":"DTXSID70337714","Formula":"C10H20","All.Compound.Names":"1-isopropyl-2,3-dimethylcyclopentane|Dtxsid70337714","logHenry":-1.142,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.637,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.514,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.678,"logWSol.Reference":"EPA-CCD-OPERA","MP":-103,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"489-20-3"}
{"Compound":"2-butyl-1,1,3-trimethyl-cyclohexane","CAS":"54676-39-0","CAS.Checksum":true,"DTXSID":"DTXSID70338564","Formula":"C13H26","All.Compound.Names":"2-butyl-1,1,3-trimethyl-cyclohexane|Dtxsid70338564","logHenry":-1.185,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.388,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.4704,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.256,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.51,"MP.Reference":"EPA-CCD-OPERA","MW":182.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54676-39-0"}
{"Compound":"1-pentyl-2-propylcyclopentane","CAS":"62199-51-3","CAS.Checksum":true,"DTXSID":"DTXSID70338569","Formula":"C13H26","All.Compound.Names":"1-pentyl-2-propylcyclopentane|Dtxsid70338569","logHenry":-1.185,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.288,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5252,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.518,"logWSol.Reference":"EPA-CCD-OPERA","MP":-110.7,"MP.Reference":"EPA-CCD-OPERA","MW":182.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62199-51-3"}
{"Compound":"3-octene, 2,2-dimethyl-, (e)-","CAS":"62187-13-7","CAS.Checksum":true,"DTXSID":"DTXSID70338605","Formula":"C10H20","All.Compound.Names":"3-octene, 2,2-dimethyl-, (e)-|Dtxsid70338605","logHenry":-1.144,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.907,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4122,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.267,"logWSol.Reference":"EPA-CCD-OPERA","MP":-129.8,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62187-13-7"}
{"Compound":"Methyl 10-undecynoate","CAS":"2777-66-4","CAS.Checksum":true,"DTXSID":"DTXSID70339157","Formula":"C12H20O2","All.Compound.Names":"Methyl 10-undecynoate|Dtxsid70339157","logHenry":-3.807,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.158,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.654,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.974,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.62,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2777-66-4"}
{"Compound":"Propane, 2-(tetramethylcyclopropylidene)-","CAS":"24519-04-8","CAS.Checksum":true,"DTXSID":"DTXSID70339612","Formula":"C10H18","All.Compound.Names":"Propane, 2-(tetramethylcyclopropylidene)-|Dtxsid70339612","logHenry":-1.401,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.934,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.05662,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.288,"logWSol.Reference":"EPA-CCD-OPERA","MP":-104.6,"MP.Reference":"EPA-CCD-OPERA","MW":138.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24519-04-8"}
{"Compound":"4-(benzyloxy)-2-hydroxybenzaldehyde","CAS":"52085-14-0","CAS.Checksum":true,"DTXSID":"DTXSID70340061","Formula":"C14H12O3","All.Compound.Names":"4-(benzyloxy)-2-hydroxybenzaldehyde|Dtxsid70340061|52085-14-0","logHenry":-6.196,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.28,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.463,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.65,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.44,"MP.Reference":"EPA-CCD-OPERA","MW":228.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.07","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52085-14-0"}
{"Compound":"2-(4-tert-butylphenyl)acetaldehyde","CAS":"109347-45-7","CAS.Checksum":true,"DTXSID":"DTXSID70344246","Formula":"C12H16O","All.Compound.Names":"2-(4-tert-butylphenyl)acetaldehyde|Dtxsid70344246","logHenry":-3.469,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.339,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.405,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.194,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.903,"MP.Reference":"EPA-CCD-OPERA","MW":176.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109347-45-7"}
{"Compound":"Phenol, 2-methoxy(2-propenyl)-","CAS":"1941-12-4","CAS.Checksum":true,"DTXSID":"DTXSID70344382","Formula":"C10H12O2","All.Compound.Names":"Phenol, 2-methoxy(2-propenyl)-|Dtxsid70344382|1941-12-4","logHenry":-6.642,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.482,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.234,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.08,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.28,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1941-12-4"}
{"Compound":"Benzene, 1,1'-[(methylthio)ethenylidene]bis-","CAS":"15096-10-3","CAS.Checksum":true,"DTXSID":"DTXSID70346760","Formula":"C15H14S","All.Compound.Names":"Benzene, 1,1'-[(methylthio)ethenylidene]bis-|Dtxsid70346760","logHenry":-4.606,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.891,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.984,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.257,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.9,"MP.Reference":"EPA-CCD-OPERA","MW":226.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15096-10-3"}
{"Compound":"Perfluoropentanamide","CAS":"355-81-7","CAS.Checksum":true,"DTXSID":"DTXSID70366226","Formula":"C5H3F8NO","All.Compound.Names":"Perfluoropentanamide|Dtxsid70366226|355-81-7","logHenry":-8.662,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.11,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.392,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.345,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.05,"MP.Reference":"EPA-CCD-OPERA","MW":245.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"355-81-7"}
{"Compound":"1-propenylperfluoropropane","CAS":"355-95-3","CAS.Checksum":true,"DTXSID":"DTXSID70379270","Formula":"C6H5F7","All.Compound.Names":"1-propenylperfluoropropane|Dtxsid70379270","logHenry":-1.701,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.953,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.767,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.99,"logWSol.Reference":"EPA-CCD-OPERA","MP":-31.35,"MP.Reference":"EPA-CCD-OPERA","MW":210.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"355-95-3"}
{"Compound":"3h-perfluoro-2,2,4,4-tetrahydroxypentane","CAS":"77953-71-0","CAS.Checksum":true,"DTXSID":"DTXSID70379295","Formula":"C5H5F7O4","All.Compound.Names":"3h-perfluoro-2,2,4,4-tetrahydroxypentane|Dtxsid70379295|77953-71-0","logHenry":-5.778,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.489,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.711,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4397,"logWSol.Reference":"EPA-CCD-OPERA","MP":132.4,"MP.Reference":"EPA-CCD-OPERA","MW":262.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"77953-71-0"}
{"Compound":"5h-octafluoropentanoyl fluoride","CAS":"813-03-6","CAS.Checksum":true,"DTXSID":"DTXSID70379730","Formula":"C5HF9O","All.Compound.Names":"5h-octafluoropentanoyl fluoride|Dtxsid70379730","logHenry":-2.819,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.308,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1338,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.971,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.45,"MP.Reference":"EPA-CCD-OPERA","MW":248,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"813-03-6"}
{"Compound":"1h,1h,8h,8h-perfluoro-3,6-dioxaoctane-1,8-diol","CAS":"129301-42-4","CAS.Checksum":true,"DTXSID":"DTXSID70381090","Formula":"C6H6F8O4","All.Compound.Names":"1h,1h,8h,8h-perfluoro-3,6-dioxaoctane-1,8-diol|Dtxsid70381090|129301-42-4","logHenry":-9.802,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.132,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.851,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.217,"logWSol.Reference":"EPA-CCD-OPERA","MP":93.27,"MP.Reference":"EPA-CCD-OPERA","MW":294.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"129301-42-4"}
{"Compound":"Perfluorooctanamidine","CAS":"307-31-3","CAS.Checksum":true,"DTXSID":"DTXSID70381151","Formula":"C8H3F15N2","All.Compound.Names":"Perfluorooctanamidine|Dtxsid70381151|307-31-3","logHenry":-10.23,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.176,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.536,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.026,"logWSol.Reference":"EPA-CCD-OPERA","MP":60.81,"MP.Reference":"EPA-CCD-OPERA","MW":412.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.59","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"307-31-3"}
{"Compound":"2-[2-(dodecyloxy)ethoxy]ethanol","CAS":"3055-93-4","CAS.Checksum":true,"DTXSID":"DTXSID7038816","Formula":"C16H34O3","All.Compound.Names":"2-[2-(dodecyloxy)ethoxy]ethanol|Dtxsid7038816|3055-93-4","logHenry":-8.115,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.707,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.551,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.933,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.15,"MP.Reference":"EPA-CCD-OPERA","MW":274.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3055-93-4"}
{"Compound":"(heptafluoropropyl)trimethylsilane","CAS":"3834-42-2","CAS.Checksum":true,"DTXSID":"DTXSID70400078","Formula":"C6H9F7Si","All.Compound.Names":"(heptafluoropropyl)trimethylsilane|Dtxsid70400078","logHenry":-1.711,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.076,"logP.Reference":"EPA-CCD-OPERA","logPwa":-2.482,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.941,"logWSol.Reference":"EPA-CCD-OPERA","MP":-80.03,"MP.Reference":"EPA-CCD-OPERA","MW":242.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"3834-42-2"}
{"Compound":"1-phenylnonane","CAS":"1081-77-2","CAS.Checksum":true,"DTXSID":"DTXSID7040786","Formula":"C15H24","All.Compound.Names":"1-phenylnonane|Dtxsid7040786","logHenry":-2.681,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.109,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.4568,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.791,"logWSol.Reference":"EPA-CCD-OPERA","MP":-24.01,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1081-77-2"}
{"Compound":"Alpha-cypermethrin","CAS":"67375-30-8","CAS.Checksum":true,"DTXSID":"DTXSID7041201","Formula":"C22H19Cl2NO3","All.Compound.Names":"Alpha-cypermethrin|Dtxsid7041201","logHenry":-8.683,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.598,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.105,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.447,"logWSol.Reference":"EPA-CCD-OPERA","MP":81.39,"MP.Reference":"EPA-CCD-OPERA","MW":416.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"67375-30-8"}
{"Compound":"Butyric acid n-butyl ester","CAS":"109-21-7","CAS.Checksum":true,"DTXSID":"DTXSID7041702","Formula":"C8H16O2","All.Compound.Names":"Butyric acid n-butyl ester|Dtxsid7041702","logHenry":-3.325,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.599,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.984,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.446,"logWSol.Reference":"EPA-CCD-OPERA","MP":-86.19,"MP.Reference":"EPA-CCD-OPERA","MW":144.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"109-21-7"}
{"Compound":"Methyl gorlate","CAS":"24828-60-2","CAS.Checksum":true,"DTXSID":"DTXSID70422290","Formula":"C19H32O2","All.Compound.Names":"Methyl gorlate|Dtxsid70422290","logHenry":-6.519,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.826,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.589,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.524,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.376,"MP.Reference":"EPA-CCD-OPERA","MW":292.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24828-60-2"}
{"Compound":"1-(4-tert-butylphenyl)propan-2-one","CAS":"81561-77-5","CAS.Checksum":true,"DTXSID":"DTXSID70423681","Formula":"C13H18O","All.Compound.Names":"1-(4-tert-butylphenyl)propan-2-one|Dtxsid70423681","logHenry":-4.187,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.924,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.438,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.898,"logWSol.Reference":"EPA-CCD-OPERA","MP":14.8,"MP.Reference":"EPA-CCD-OPERA","MW":190.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81561-77-5"}
{"Compound":"(z)-mevinphos","CAS":"338-45-4","CAS.Checksum":true,"DTXSID":"DTXSID7042481","Formula":"C7H13O6P","All.Compound.Names":"(z)-mevinphos|Dtxsid7042481","logHenry":-8.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1298,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.554,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5017,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.37,"MP.Reference":"EPA-CCD-OPERA","MW":224.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"338-45-4"}
{"Compound":"Perfluoro-1-iodohexane","CAS":"355-43-1","CAS.Checksum":true,"DTXSID":"DTXSID7047566","Formula":"C6F13I","All.Compound.Names":"Perfluoro-1-iodohexane|Dtxsid7047566","logHenry":-1.898,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.693,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.945,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.325,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.05,"MP.Reference":"EPA-CCD-OPERA","MW":446,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"355-43-1"}
{"Compound":"2-amino-2h-perfluoropropane","CAS":"1619-92-7","CAS.Checksum":true,"DTXSID":"DTXSID70481246","Formula":"C3H3F6N","All.Compound.Names":"2-amino-2h-perfluoropropane|Dtxsid70481246|1619-92-7","logHenry":-4.334,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.613,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.049,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.144,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.529,"MP.Reference":"EPA-CCD-OPERA","MW":167.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"1619-92-7"}
{"Compound":"L-menthyl acetate","CAS":"2623-23-6","CAS.Checksum":true,"DTXSID":"DTXSID7051472","Formula":"C12H22O2","All.Compound.Names":"L-menthyl acetate|Dtxsid7051472","logHenry":-3.383,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.002,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.876,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.923,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.084,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2623-23-6"}
{"Compound":"Cyclohexyl methacrylate","CAS":"101-43-9","CAS.Checksum":true,"DTXSID":"DTXSID7051507","Formula":"C10H16O2","All.Compound.Names":"Cyclohexyl methacrylate|Dtxsid7051507","logHenry":-3.66,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.071,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.991,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.704,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.19,"MP.Reference":"EPA-CCD-OPERA","MW":168.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-43-9"}
{"Compound":"Lactic acid, calcium salt, hydrate (2:1:5)","CAS":"5743-47-5","CAS.Checksum":true,"DTXSID":"DTXSID7052236","Formula":"C6H20CaO11","All.Compound.Names":"Lactic acid, calcium salt, hydrate (2:1:5)|Dtxsid7052236|5743-47-5","logHenry":-8.049,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.434,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.155,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5083,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.35,"MP.Reference":"EPA-CCD-OPERA","MW":308.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5743-47-5"}
{"Compound":"1-isocyanato-2-methylbenzene","CAS":"614-68-6","CAS.Checksum":true,"DTXSID":"DTXSID7052286","Formula":"C8H7NO","All.Compound.Names":"1-isocyanato-2-methylbenzene|Dtxsid7052286|614-68-6","logHenry":-6.365,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.322,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.68,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.63,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.69,"MP.Reference":"EPA-CCD-OPERA","MW":133.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.49","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"614-68-6"}
{"Compound":"2-(4-methylphenyl)-1,3-benzoxazole","CAS":"835-71-2","CAS.Checksum":true,"DTXSID":"DTXSID7052575","Formula":"C14H11NO","All.Compound.Names":"2-(4-methylphenyl)-1,3-benzoxazole|Dtxsid7052575|835-71-2","logHenry":-4.059,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.601,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.579,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.66,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.7,"MP.Reference":"EPA-CCD-OPERA","MW":209.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"0.69","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"835-71-2"}
{"Compound":"Piperitone","CAS":"89-81-6","CAS.Checksum":true,"DTXSID":"DTXSID7052604","Formula":"C10H16O","All.Compound.Names":"Piperitone|Dtxsid7052604","logHenry":-4.269,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.849,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.153,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.963,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.782,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89-81-6"}
{"Compound":"Sumilizer ga 80","CAS":"90498-90-1","CAS.Checksum":true,"DTXSID":"DTXSID7052606","Formula":"C43H64O10","All.Compound.Names":"Sumilizer ga 80|Dtxsid7052606|90498-90-1","logHenry":-7.871,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.753,"logP.Reference":"EPA-CCD-OPERA","logPwa":1,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.837,"logWSol.Reference":"EPA-CCD-OPERA","MP":197.3,"MP.Reference":"EPA-CCD-OPERA","MW":741,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.28","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"90498-90-1"}
{"Compound":"1-(2-bromo-4-hydroxyphenyl)ethanone","CAS":"61791-99-9","CAS.Checksum":true,"DTXSID":"DTXSID7057573","Formula":"C8H7BrO2","All.Compound.Names":"1-(2-bromo-4-hydroxyphenyl)ethanone|Dtxsid7057573|61791-99-9","logHenry":-8.692,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.589,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.935,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.601,"logWSol.Reference":"EPA-CCD-OPERA","MP":80.35,"MP.Reference":"EPA-CCD-OPERA","MW":215,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.2","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61791-99-9"}
{"Compound":"Tetratriacontane","CAS":"14167-59-0","CAS.Checksum":true,"DTXSID":"DTXSID7058622","Formula":"C34H70","All.Compound.Names":"Tetratriacontane|Dtxsid7058622","logHenry":-6.103,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.726,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.953,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.232,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.95,"MP.Reference":"EPA-CCD-OPERA","MW":478.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14167-59-0"}
{"Compound":"3,6-dimethylundecane","CAS":"17301-28-9","CAS.Checksum":true,"DTXSID":"DTXSID7058624","Formula":"C13H28","All.Compound.Names":"3,6-dimethylundecane|Dtxsid7058624","logHenry":-0.8379,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.507,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6332,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.866,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.77,"MP.Reference":"EPA-CCD-OPERA","MW":184.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17301-28-9"}
{"Compound":"18-crown-6","CAS":"17455-13-9","CAS.Checksum":true,"DTXSID":"DTXSID7058626","Formula":"C12H24O6","All.Compound.Names":"18-crown-6|Dtxsid7058626","logHenry":-5.769,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6789,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.093,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8214,"logWSol.Reference":"EPA-CCD-OPERA","MP":-60.06,"MP.Reference":"EPA-CCD-OPERA","MW":264.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17455-13-9"}
{"Compound":"2,6-dimethyloctane","CAS":"2051-30-1","CAS.Checksum":true,"DTXSID":"DTXSID7058628","Formula":"C10H22","All.Compound.Names":"2,6-dimethyloctane|Dtxsid7058628","logHenry":-0.7912,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.383,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8756,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.606,"logWSol.Reference":"EPA-CCD-OPERA","MP":-57.98,"MP.Reference":"EPA-CCD-OPERA","MW":142.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2051-30-1"}
{"Compound":"Retene","CAS":"483-65-8","CAS.Checksum":true,"DTXSID":"DTXSID7058701","Formula":"C18H18","All.Compound.Names":"Retene|Dtxsid7058701","logHenry":-5.068,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.542,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.988,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.824,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.3,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"483-65-8"}
{"Compound":"(r,s)-equol","CAS":"94105-90-5","CAS.Checksum":true,"DTXSID":"DTXSID7058705","Formula":"C15H14O3","All.Compound.Names":"(r,s)-equol|Dtxsid7058705|94105-90-5","logHenry":-6.841,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.135,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.916,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.711,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.6,"MP.Reference":"EPA-CCD-OPERA","MW":242.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"94105-90-5"}
{"Compound":"Ethanol, 2-[bis(phenylmethyl)amino]-","CAS":"101-06-4","CAS.Checksum":true,"DTXSID":"DTXSID7059224","Formula":"C16H19NO","All.Compound.Names":"Ethanol, 2-[bis(phenylmethyl)amino]-|Dtxsid7059224|101-06-4","logHenry":-6.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.86,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.216,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.168,"logWSol.Reference":"EPA-CCD-OPERA","MP":91.54,"MP.Reference":"EPA-CCD-OPERA","MW":241.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.84","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"10.84","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"101-06-4"}
{"Compound":"Cyclodecane","CAS":"293-96-9","CAS.Checksum":true,"DTXSID":"DTXSID7059779","Formula":"C10H20","All.Compound.Names":"Cyclodecane|Dtxsid7059779","logHenry":-1.177,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.448,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4788,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.731,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"293-96-9"}
{"Compound":"Perfluoro(n-methylmorpholine)","CAS":"382-28-5","CAS.Checksum":true,"DTXSID":"DTXSID7059933","Formula":"C5F11NO","All.Compound.Names":"Perfluoro(n-methylmorpholine)|Dtxsid7059933|382-28-5","logHenry":-1.901,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.205,"logP.Reference":"EPA-CCD-OPERA","logPwa":-2.582,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.369,"logWSol.Reference":"EPA-CCD-OPERA","MP":-79.99,"MP.Reference":"EPA-CCD-OPERA","MW":299,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.41","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"382-28-5"}
{"Compound":"10-nonadecanone","CAS":"504-57-4","CAS.Checksum":true,"DTXSID":"DTXSID7060126","Formula":"C19H38O","All.Compound.Names":"10-nonadecanone|Dtxsid7060126","logHenry":-6.693,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.127,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.312,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.4,"logWSol.Reference":"EPA-CCD-OPERA","MP":64.54,"MP.Reference":"EPA-CCD-OPERA","MW":282.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"504-57-4"}
{"Compound":"(perfluorobutyryl)-2-thenoylmethane","CAS":"559-94-4","CAS.Checksum":true,"DTXSID":"DTXSID7060332","Formula":"C10H5F7O2S","All.Compound.Names":"(perfluorobutyryl)-2-thenoylmethane|Dtxsid7060332","logHenry":-5.391,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.977,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6689,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.808,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.49,"MP.Reference":"EPA-CCD-OPERA","MW":322.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"559-94-4"}
{"Compound":"1,1'-biphenyl, 2,2'-dimethyl-","CAS":"605-39-0","CAS.Checksum":true,"DTXSID":"DTXSID7060540","Formula":"C14H14","All.Compound.Names":"1,1'-biphenyl, 2,2'-dimethyl-|Dtxsid7060540","logHenry":-3.276,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.862,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.397,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.619,"logWSol.Reference":"EPA-CCD-OPERA","MP":19,"MP.Reference":"EPA-CCD-OPERA","MW":182.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"605-39-0"}
{"Compound":"2-naphthalenecarbonitrile","CAS":"613-46-7","CAS.Checksum":true,"DTXSID":"DTXSID7060621","Formula":"C11H7N","All.Compound.Names":"2-naphthalenecarbonitrile|Dtxsid7060621","logHenry":-3.557,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.032,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.325,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.005,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.86,"MP.Reference":"EPA-CCD-OPERA","MW":153.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"613-46-7"}
{"Compound":"Propane, 1-(1-methylethoxy)-","CAS":"627-08-7","CAS.Checksum":true,"DTXSID":"DTXSID7060831","Formula":"C6H14O","All.Compound.Names":"Propane, 1-(1-methylethoxy)-|Dtxsid7060831","logHenry":-2.775,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.473,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.632,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.335,"logWSol.Reference":"EPA-CCD-OPERA","MP":-105.9,"MP.Reference":"EPA-CCD-OPERA","MW":102.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"627-08-7"}
{"Compound":"Perfluoromethylcyclopentane","CAS":"1805-22-7","CAS.Checksum":true,"DTXSID":"DTXSID7061982","Formula":"C6F12","All.Compound.Names":"Perfluoromethylcyclopentane|Dtxsid7061982","logHenry":-1.894,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.685,"logP.Reference":"EPA-CCD-OPERA","logPwa":-2.882,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.004,"logWSol.Reference":"EPA-CCD-OPERA","MP":-65.09,"MP.Reference":"EPA-CCD-OPERA","MW":300,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"1805-22-7"}
{"Compound":"1,3-benzenediol, 5-pentadecyl-","CAS":"3158-56-3","CAS.Checksum":true,"DTXSID":"DTXSID7062875","Formula":"C21H36O2","All.Compound.Names":"1,3-benzenediol, 5-pentadecyl-|Dtxsid7062875|3158-56-3","logHenry":-6.787,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.192,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.171,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.285,"logWSol.Reference":"EPA-CCD-OPERA","MP":108,"MP.Reference":"EPA-CCD-OPERA","MW":320.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.88","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3158-56-3"}
{"Compound":"Hexylcyclohexane","CAS":"4292-75-5","CAS.Checksum":true,"DTXSID":"DTXSID7063398","Formula":"C12H24","All.Compound.Names":"Hexylcyclohexane|Dtxsid7063398","logHenry":-1.186,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.149,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3601,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.001,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.5,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4292-75-5"}
{"Compound":"5-nitro-2-mercaptobenzimidazole","CAS":"6325-91-3","CAS.Checksum":true,"DTXSID":"DTXSID7064235","Formula":"C7H5N3O2S","All.Compound.Names":"5-nitro-2-mercaptobenzimidazole|Dtxsid7064235|6325-91-3","logHenry":-8.651,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.318,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.862,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.316,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.3,"MP.Reference":"EPA-CCD-OPERA","MW":195.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.6","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"6.79","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6325-91-3"}
{"Compound":"1,16-hexadecanediol","CAS":"7735-42-4","CAS.Checksum":true,"DTXSID":"DTXSID7064788","Formula":"C16H34O2","All.Compound.Names":"1,16-hexadecanediol|Dtxsid7064788|7735-42-4","logHenry":-6.851,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.448,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.57,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.481,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.13,"MP.Reference":"EPA-CCD-OPERA","MW":258.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.7","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7735-42-4"}
{"Compound":"4-methylphenanthrene","CAS":"832-64-4","CAS.Checksum":true,"DTXSID":"DTXSID7073933","Formula":"C15H12","All.Compound.Names":"4-methylphenanthrene|Dtxsid7073933","logHenry":-4.291,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.054,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.499,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.789,"logWSol.Reference":"EPA-CCD-OPERA","MP":86,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"832-64-4"}
{"Compound":"Butyl methyl phthalate","CAS":"34006-76-3","CAS.Checksum":true,"DTXSID":"DTXSID7074325","Formula":"C13H16O4","All.Compound.Names":"Butyl methyl phthalate|Dtxsid7074325","logHenry":-7.382,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.704,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.73,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.908,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.72,"MP.Reference":"EPA-CCD-OPERA","MW":236.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34006-76-3"}
{"Compound":"1h,1h,2h-perfluoro-1-decene","CAS":"21652-58-4","CAS.Checksum":true,"DTXSID":"DTXSID7074616","Formula":"C10H3F17","All.Compound.Names":"1h,1h,2h-perfluoro-1-decene|Dtxsid7074616","logHenry":-3.348,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.723,"logP.Reference":"EPA-CCD-OPERA","logPwa":-2.022,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.608,"logWSol.Reference":"EPA-CCD-OPERA","MP":-24.54,"MP.Reference":"EPA-CCD-OPERA","MW":446.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"21652-58-4"}
{"Compound":"Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide","CAS":"43100-38-5","CAS.Checksum":true,"DTXSID":"DTXSID7074747","Formula":"C11H16N2O","All.Compound.Names":"Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide|Dtxsid7074747|43100-38-5","logHenry":-8.716,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.558,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.368,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.787,"logWSol.Reference":"EPA-CCD-OPERA","MP":107.6,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.85","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"11.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"43100-38-5"}
{"Compound":"Dodecanoic acid, ethenyl ester","CAS":"2146-71-6","CAS.Checksum":true,"DTXSID":"DTXSID7074953","Formula":"C14H26O2","All.Compound.Names":"Dodecanoic acid, ethenyl ester|Dtxsid7074953","logHenry":-5.08,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.758,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.502,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.318,"logWSol.Reference":"EPA-CCD-OPERA","MP":-26.02,"MP.Reference":"EPA-CCD-OPERA","MW":226.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2146-71-6"}
{"Compound":"2(5h)-furanone","CAS":"497-23-4","CAS.Checksum":true,"DTXSID":"DTXSID7075422","Formula":"C4H4O2","All.Compound.Names":"2(5h)-furanone|Dtxsid7075422","logHenry":-7.528,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.6002,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.521,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1923,"logWSol.Reference":"EPA-CCD-OPERA","MP":4.35,"MP.Reference":"EPA-CCD-OPERA","MW":84.07,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"497-23-4"}
{"Compound":"(+)-d-cadinene","CAS":"483-76-1","CAS.Checksum":true,"DTXSID":"DTXSID70858792","Formula":"C15H24","All.Compound.Names":"(+)-d-cadinene|Dtxsid70858792","logHenry":-1.53,"logHenry.Reference":"OPERA29","logP":5.33,"logP.Reference":"OPERA29","logWSol":-5.18,"logWSol.Reference":"OPERA29","MP":30,"MP.Reference":"OPERA29","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"483-76-1"}
{"Compound":"(s)-bicalutamide","CAS":"113299-38-0","CAS.Checksum":true,"DTXSID":"DTXSID70861120","Formula":"C18H14F4N2O4S","All.Compound.Names":"(s)-bicalutamide|Dtxsid70861120|113299-38-0","logHenry":-9.645,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.477,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.964,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.319,"logWSol.Reference":"EPA-CCD-OPERA","MP":189.7,"MP.Reference":"EPA-CCD-OPERA","MW":430.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"113299-38-0"}
{"Compound":"3-?cyclohexene-?1-?carbonitrile","CAS":"100-45-8","CAS.Checksum":true,"DTXSID":"DTXSID70861706","Formula":"C7H9N","All.Compound.Names":"3-?cyclohexene-?1-?carbonitrile|Dtxsid70861706","logHenry":-4.457,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.645,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.276,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8868,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.3015,"MP.Reference":"EPA-CCD-OPERA","MW":107.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"100-45-8"}
{"Compound":"2,6,10,14-tetramethylhexadecane","CAS":"638-36-8","CAS.Checksum":true,"DTXSID":"DTXSID70862339","Formula":"C20H42","All.Compound.Names":"2,6,10,14-tetramethylhexadecane|Dtxsid70862339","logHenry":-4.474,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.261,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.041,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.006,"logWSol.Reference":"EPA-CCD-OPERA","MP":-51.68,"MP.Reference":"EPA-CCD-OPERA","MW":282.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"638-36-8"}
{"Compound":"Sabinen","CAS":"3387-41-5","CAS.Checksum":true,"DTXSID":"DTXSID70863164","Formula":"C10H16","All.Compound.Names":"Sabinen|Dtxsid70863164","logHenry":-1.238,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.374,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1023,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.605,"logWSol.Reference":"EPA-CCD-OPERA","MP":52.2,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3387-41-5"}
{"Compound":"3-methylnonane","CAS":"5911-04-6","CAS.Checksum":true,"DTXSID":"DTXSID70863649","Formula":"C10H22","All.Compound.Names":"3-methylnonane|Dtxsid70863649","logHenry":-0.8025,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.503,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.064,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.677,"logWSol.Reference":"EPA-CCD-OPERA","MP":-86.46,"MP.Reference":"EPA-CCD-OPERA","MW":142.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5911-04-6"}
{"Compound":"Dodecan-2-ol","CAS":"10203-28-8","CAS.Checksum":true,"DTXSID":"DTXSID70864232","Formula":"C12H26O","All.Compound.Names":"Dodecan-2-ol|Dtxsid70864232|10203-28-8","logHenry":-4.681,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.65,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.782,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.107,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.32,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10203-28-8"}
{"Compound":"Pentafluoropropanoic anhydride","CAS":"356-42-3","CAS.Checksum":true,"DTXSID":"DTXSID70870515","Formula":"C6F10O3","All.Compound.Names":"Pentafluoropropanoic anhydride|Dtxsid70870515","logHenry":-1.724,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.734,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5445,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.837,"logWSol.Reference":"EPA-CCD-OPERA","MP":-38.04,"MP.Reference":"EPA-CCD-OPERA","MW":310,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"356-42-3"}
{"Compound":"Valeric anhydride","CAS":"2082-59-9","CAS.Checksum":true,"DTXSID":"DTXSID70870934","Formula":"C10H18O3","All.Compound.Names":"Valeric anhydride|Dtxsid70870934","logHenry":-3.987,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.514,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.008,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.109,"logWSol.Reference":"EPA-CCD-OPERA","MP":-56.02,"MP.Reference":"EPA-CCD-OPERA","MW":186.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2082-59-9"}
{"Compound":"1-methyl-2-propyl-cyclohexane","CAS":"4291-79-6","CAS.Checksum":true,"DTXSID":"DTXSID70871067","Formula":"C10H20","All.Compound.Names":"1-methyl-2-propyl-cyclohexane|Dtxsid70871067","logHenry":-1.163,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.107,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.798,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.684,"logWSol.Reference":"EPA-CCD-OPERA","MP":-87.01,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4291-79-6"}
{"Compound":"(e)-1,2,3-trimethyl-4-propenylnaphthalene","CAS":"26137-53-1","CAS.Checksum":true,"DTXSID":"DTXSID70872519","Formula":"C16H18","All.Compound.Names":"(e)-1,2,3-trimethyl-4-propenylnaphthalene|Dtxsid70872519","logHenry":-3.28,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.693,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.39,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.578,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.25,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26137-53-1"}
{"Compound":"1,2,3,4-tetramethylnaphthalene","CAS":"3031-15-0","CAS.Checksum":true,"DTXSID":"DTXSID70873248","Formula":"C14H16","All.Compound.Names":"1,2,3,4-tetramethylnaphthalene|Dtxsid70873248","logHenry":-3.238,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.829,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.428,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.12,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.74,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3031-15-0"}
{"Compound":"Perhydropyrene","CAS":"2435-85-0","CAS.Checksum":true,"DTXSID":"DTXSID70873304","Formula":"C16H26","All.Compound.Names":"Perhydropyrene|Dtxsid70873304","logHenry":-2.613,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.165,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.594,"logWSol.Reference":"EPA-CCD-OPERA","MP":114.2,"MP.Reference":"EPA-CCD-OPERA","MW":218.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2435-85-0"}
{"Compound":"Hexyl decyl phthalate","CAS":"25724-58-7","CAS.Checksum":true,"DTXSID":"DTXSID70874013","Formula":"C24H38O4","All.Compound.Names":"Hexyl decyl phthalate|Dtxsid70874013","logHenry":-6.578,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.824,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.916,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.724,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.993,"MP.Reference":"EPA-CCD-OPERA","MW":390.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"25724-58-7"}
{"Compound":"Benzene, (1-ethyloctyl)-","CAS":"4621-36-7","CAS.Checksum":true,"DTXSID":"DTXSID70874871","Formula":"C16H26","All.Compound.Names":"Benzene, (1-ethyloctyl)-|Dtxsid70874871","logHenry":-2.677,"logHenry.Reference":"EPA-CCD-OPERA","logP":7,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5047,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.63,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.11,"MP.Reference":"EPA-CCD-OPERA","MW":218.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4621-36-7"}
{"Compound":"Benzene, (1-pentylheptyl)-","CAS":"2719-62-2","CAS.Checksum":true,"DTXSID":"DTXSID70875106","Formula":"C18H30","All.Compound.Names":"Benzene, (1-pentylheptyl)-|Dtxsid70875106","logHenry":-3.238,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.013,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1282,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.981,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.003,"MP.Reference":"EPA-CCD-OPERA","MW":246.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2719-62-2"}
{"Compound":"Benzene, (1-propyldecyl)-","CAS":"4534-51-4","CAS.Checksum":true,"DTXSID":"DTXSID70875202","Formula":"C19H32","All.Compound.Names":"Benzene, (1-propyldecyl)-|Dtxsid70875202","logHenry":-4.888,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.619,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3347,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.246,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.56,"MP.Reference":"EPA-CCD-OPERA","MW":260.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4534-51-4"}
{"Compound":"4-undecene, (z)-","CAS":"821-98-7","CAS.Checksum":true,"DTXSID":"DTXSID70876613","Formula":"C11H22","All.Compound.Names":"4-undecene, (z)-|Dtxsid70876613|(4z)-4-undecene","logHenry":-1.176,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.587,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.584,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.249,"logWSol.Reference":"EPA-CCD-OPERA","MP":-73.87,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"821-98-7"}
{"Compound":"1-pentafluoroethylethanol","CAS":"374-40-3","CAS.Checksum":true,"DTXSID":"DTXSID70880134","Formula":"C4H5F5O","All.Compound.Names":"1-pentafluoroethylethanol|Dtxsid70880134|374-40-3","logHenry":-4.769,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.293,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.719,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.64,"MP.Reference":"EPA-CCD-OPERA","MW":164.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"374-40-3"}
{"Compound":"Perfluoro-2-methyl-3-oxahexanoic acid","CAS":"13252-13-6","CAS.Checksum":true,"DTXSID":"DTXSID70880215","Formula":"C6HF11O3","All.Compound.Names":"Perfluoro-2-methyl-3-oxahexanoic acid|Dtxsid70880215|13252-13-6","logHenry":-9.654,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.003,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7415,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.954,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.77,"MP.Reference":"EPA-CCD-OPERA","MW":330.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-0.73","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"13252-13-6"}
{"Compound":"((2,2,3,3-tetrafluoropropoxy)methyl)oxirane","CAS":"19932-26-4","CAS.Checksum":true,"DTXSID":"DTXSID70880230","Formula":"C6H8F4O2","All.Compound.Names":"((2,2,3,3-tetrafluoropropoxy)methyl)oxirane|Dtxsid70880230","logHenry":-3.682,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.688,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.779,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5779,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.991,"MP.Reference":"EPA-CCD-OPERA","MW":188.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"19932-26-4"}
{"Compound":"Cyclohexane, (2-ethyl-1-methyl-1-butenyl)-","CAS":"74810-42-7","CAS.Checksum":true,"DTXSID":"DTXSID70880634","Formula":"C13H24","All.Compound.Names":"Cyclohexane, (2-ethyl-1-methyl-1-butenyl)-|Dtxsid70880634","logHenry":-1.729,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.5,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3329,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.935,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.52,"MP.Reference":"EPA-CCD-OPERA","MW":180.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74810-42-7"}
{"Compound":"Cyclohexane, 1,1,3,5-tetramethyl-, trans-","CAS":"50876-31-8","CAS.Checksum":true,"DTXSID":"DTXSID70880639","Formula":"C10H20","All.Compound.Names":"Cyclohexane, 1,1,3,5-tetramethyl-, trans-|Dtxsid70880639","logHenry":-1.136,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.87,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.7227,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.468,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.51,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50876-31-8"}
{"Compound":"1,4-methanobenzocyclodecene, 1,2,3,4,4a,5,8,9,12,12a-decahydro-","CAS":"74708-73-9","CAS.Checksum":true,"DTXSID":"DTXSID70880654","Formula":"C15H22","All.Compound.Names":"1,4-methanobenzocyclodecene, 1,2,3,4,4a,5,8,9,12,12a-decahydro-|Dtxsid70880654","logHenry":-2.983,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.872,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.382,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.264,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.64,"MP.Reference":"EPA-CCD-OPERA","MW":202.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74708-73-9"}
{"Compound":"1,4-nonadiene, 2-nitro-, (z)-","CAS":"80255-19-2","CAS.Checksum":true,"DTXSID":"DTXSID70880659","Formula":"C9H15NO2","All.Compound.Names":"1,4-nonadiene, 2-nitro-, (z)-|Dtxsid70880659","logHenry":-4.391,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.403,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.436,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.297,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.782,"MP.Reference":"EPA-CCD-OPERA","MW":169.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80255-19-2"}
{"Compound":"1,2,3,3a,8,9,9a,9b-octahydrocyclopenta[def]phenanthrene","CAS":"148145-44-2","CAS.Checksum":true,"DTXSID":"DTXSID70880674","Formula":"C15H18","All.Compound.Names":"1,2,3,3a,8,9,9a,9b-octahydrocyclopenta[def]phenanthrene|Dtxsid70880674","logHenry":-3.277,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.069,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.315,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.341,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.22,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"148145-44-2"}
{"Compound":"Dispiro[4.2.4.2]tetradecane","CAS":"79273-13-5","CAS.Checksum":true,"DTXSID":"DTXSID70880679","Formula":"C14H24","All.Compound.Names":"Dispiro[4.2.4.2]tetradecane|Dtxsid70880679","logHenry":-2.252,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.345,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.564,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.423,"logWSol.Reference":"EPA-CCD-OPERA","MP":153.3,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"79273-13-5"}
{"Compound":"Methane, tert-butoxymethoxy-","CAS":"24209-75-4","CAS.Checksum":true,"DTXSID":"DTXSID70880694","Formula":"C6H14O2","All.Compound.Names":"Methane, tert-butoxymethoxy-|Dtxsid70880694","logHenry":-4.025,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.042,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.191,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9246,"logWSol.Reference":"EPA-CCD-OPERA","MP":-80,"MP.Reference":"EPA-CCD-OPERA","MW":118.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24209-75-4"}
{"Compound":"Cyclopropane, 1-methyl-2-(1-methylethyl)-3-(1-methylethylidene)-, cis-","CAS":"24524-52-5","CAS.Checksum":true,"DTXSID":"DTXSID70880699","Formula":"C10H18","All.Compound.Names":"Cyclopropane, 1-methyl-2-(1-methylethyl)-3-(1-methylethylidene)-, cis-|Dtxsid70880699","logHenry":-1.413,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.73,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7947,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.426,"logWSol.Reference":"EPA-CCD-OPERA","MP":-112.6,"MP.Reference":"EPA-CCD-OPERA","MW":138.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"24524-52-5"}
{"Compound":"Oxirane, 2-methyl-2-(1-methylethyl)-","CAS":"72221-03-5","CAS.Checksum":true,"DTXSID":"DTXSID70880710","Formula":"C6H12O","All.Compound.Names":"Oxirane, 2-methyl-2-(1-methylethyl)-|Dtxsid70880710","logHenry":-2.987,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.181,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.092,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1653,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.5,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"72221-03-5"}
{"Compound":"1-phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1r-(1.alpha.,4a.beta.,10a.alpha.)]-","CAS":"13601-88-2","CAS.Checksum":true,"DTXSID":"DTXSID70880715","Formula":"C20H28O","All.Compound.Names":"1-phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1r-(1.alpha.,4a.beta.,10a.alpha.)]-|Dtxsid70880715","logHenry":-4.769,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.317,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.454,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.018,"logWSol.Reference":"EPA-CCD-OPERA","MP":87.42,"MP.Reference":"EPA-CCD-OPERA","MW":284.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13601-88-2"}
{"Compound":"1-dodecanol, 3,7,11-trimethyl-","CAS":"6750-34-1","CAS.Checksum":true,"DTXSID":"DTXSID70880730","Formula":"C15H32O","All.Compound.Names":"1-dodecanol, 3,7,11-trimethyl-|Dtxsid70880730|6750-34-1","logHenry":-4.68,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.925,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.325,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.013,"logWSol.Reference":"EPA-CCD-OPERA","MP":68.27,"MP.Reference":"EPA-CCD-OPERA","MW":228.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6750-34-1"}
{"Compound":"Butane, 2-cyclopropyl-","CAS":"5750-02-7","CAS.Checksum":true,"DTXSID":"DTXSID70880735","Formula":"C7H14","All.Compound.Names":"Butane, 2-cyclopropyl-|Dtxsid70880735","logHenry":-0.5771,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.729,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.124,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.746,"logWSol.Reference":"EPA-CCD-OPERA","MP":-110.7,"MP.Reference":"EPA-CCD-OPERA","MW":98.19,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5750-02-7"}
{"Compound":"Tridecane, 3-methyl-","CAS":"6418-41-3","CAS.Checksum":true,"DTXSID":"DTXSID70880750","Formula":"C14H30","All.Compound.Names":"Tridecane, 3-methyl-|Dtxsid70880750","logHenry":-1.725,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.943,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6133,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.149,"logWSol.Reference":"EPA-CCD-OPERA","MP":-37.65,"MP.Reference":"EPA-CCD-OPERA","MW":198.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6418-41-3"}
{"Compound":"Benzene, (1-methylheptadecyl)-","CAS":"6583-67-1","CAS.Checksum":true,"DTXSID":"DTXSID70880755","Formula":"C24H42","All.Compound.Names":"Benzene, (1-methylheptadecyl)-|Dtxsid70880755","logHenry":-6.459,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.23,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.086,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.026,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.56,"MP.Reference":"EPA-CCD-OPERA","MW":330.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6583-67-1"}
{"Compound":"Cyclopentene, 1,2,3,3,4-pentamethyl-","CAS":"197390-29-7","CAS.Checksum":true,"DTXSID":"DTXSID70880770","Formula":"C10H18","All.Compound.Names":"Cyclopentene, 1,2,3,3,4-pentamethyl-|Dtxsid70880770","logHenry":-1.409,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.064,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.4725,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.293,"logWSol.Reference":"EPA-CCD-OPERA","MP":-112.6,"MP.Reference":"EPA-CCD-OPERA","MW":138.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"197390-29-7"}
{"Compound":"Cyclopropane, 2-chloro-1-ethyl-1-methyl-","CAS":"343926-09-0","CAS.Checksum":true,"DTXSID":"DTXSID70880775","Formula":"C6H11Cl","All.Compound.Names":"Cyclopropane, 2-chloro-1-ethyl-1-methyl-|Dtxsid70880775","logHenry":-2.267,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.11,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2819,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.532,"logWSol.Reference":"EPA-CCD-OPERA","MP":-87.04,"MP.Reference":"EPA-CCD-OPERA","MW":118.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"343926-09-0"}
{"Compound":"Bicyclo[4.1.0]heptane, 3-methyl-7-pentyl-","CAS":"41977-48-4","CAS.Checksum":true,"DTXSID":"DTXSID70880790","Formula":"C13H24","All.Compound.Names":"Bicyclo[4.1.0]heptane, 3-methyl-7-pentyl-|Dtxsid70880790","logHenry":-1.946,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.527,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1851,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.855,"logWSol.Reference":"EPA-CCD-OPERA","MP":75.68,"MP.Reference":"EPA-CCD-OPERA","MW":180.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41977-48-4"}
{"Compound":"Decahydro-1-methylnaphthalene","CAS":"2958-75-0","CAS.Checksum":true,"DTXSID":"DTXSID70880795","Formula":"C11H20","All.Compound.Names":"Decahydro-1-methylnaphthalene|Dtxsid70880795","logHenry":-1.404,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.884,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1753,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.472,"logWSol.Reference":"EPA-CCD-OPERA","MP":-10.7,"MP.Reference":"EPA-CCD-OPERA","MW":152.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2958-75-0"}
{"Compound":"Carbazole, 2,3,5-trimethyl-","CAS":"78787-85-6","CAS.Checksum":true,"DTXSID":"DTXSID70880811","Formula":"C15H15N","All.Compound.Names":"Carbazole, 2,3,5-trimethyl-|Dtxsid70880811|78787-85-6","logHenry":-7.227,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.128,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.415,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.256,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.75,"MP.Reference":"EPA-CCD-OPERA","MW":209.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.1","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"78787-85-6"}
{"Compound":"Benzene, 1,1'-(1-ethyl-1,3-propanediyl)bis-","CAS":"838-45-9","CAS.Checksum":true,"DTXSID":"DTXSID70880816","Formula":"C17H20","All.Compound.Names":"Benzene, 1,1'-(1-ethyl-1,3-propanediyl)bis-|Dtxsid70880816","logHenry":-4.138,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.87,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.543,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.474,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.95,"MP.Reference":"EPA-CCD-OPERA","MW":224.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"838-45-9"}
{"Compound":"5,7-dodecadiene, (e,z)-","CAS":"21293-04-9","CAS.Checksum":true,"DTXSID":"DTXSID70880831","Formula":"C12H22","All.Compound.Names":"5,7-dodecadiene, (e,z)-|Dtxsid70880831","logHenry":-1.919,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.671,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.0098,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.269,"logWSol.Reference":"EPA-CCD-OPERA","MP":-59.82,"MP.Reference":"EPA-CCD-OPERA","MW":166.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21293-04-9"}
{"Compound":"11-hexadecynal","CAS":"86426-73-5","CAS.Checksum":true,"DTXSID":"DTXSID70880836","Formula":"C16H28O","All.Compound.Names":"11-hexadecynal|Dtxsid70880836","logHenry":-4.981,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.291,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.221,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.286,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.83,"MP.Reference":"EPA-CCD-OPERA","MW":236.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86426-73-5"}
{"Compound":"(z)-3-dodecene","CAS":"7239-23-8","CAS.Checksum":true,"DTXSID":"DTXSID70880851","Formula":"C12H24","All.Compound.Names":"(z)-3-dodecene|Dtxsid70880851","logHenry":-1.18,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.866,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.0951,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.977,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.56,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7239-23-8"}
{"Compound":"Trans-2-undecen-1-ol","CAS":"75039-84-8","CAS.Checksum":true,"DTXSID":"DTXSID70880856","Formula":"C11H22O","All.Compound.Names":"Trans-2-undecen-1-ol|Dtxsid70880856|75039-84-8","logHenry":-4.76,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.046,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.698,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.695,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.684,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.4","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75039-84-8"}
{"Compound":"5-octadecene, (e)-","CAS":"7206-21-5","CAS.Checksum":true,"DTXSID":"DTXSID70880871","Formula":"C18H36","All.Compound.Names":"5-octadecene, (e)-|Dtxsid70880871","logHenry":-4.477,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.812,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8102,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.198,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.64,"MP.Reference":"EPA-CCD-OPERA","MW":252.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7206-21-5"}
{"Compound":"1-propene, 1,2,3-trichloro-, (z)-","CAS":"13116-57-9","CAS.Checksum":true,"DTXSID":"DTXSID70880876","Formula":"C3H3Cl3","All.Compound.Names":"1-propene, 1,2,3-trichloro-, (z)-|Dtxsid70880876","logHenry":-3.257,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.666,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.816,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.881,"logWSol.Reference":"EPA-CCD-OPERA","MP":-30.35,"MP.Reference":"EPA-CCD-OPERA","MW":145.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13116-57-9"}
{"Compound":"Butanoic acid, (3e)-3-hexen-1-yl ester","CAS":"53398-84-8","CAS.Checksum":true,"DTXSID":"DTXSID70880891","Formula":"C10H18O2","All.Compound.Names":"Butanoic acid, (3e)-3-hexen-1-yl ester|Dtxsid70880891","logHenry":-3.474,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.328,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.73,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.986,"logWSol.Reference":"EPA-CCD-OPERA","MP":-54.22,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53398-84-8"}
{"Compound":"12-tridecynoic acid, methyl ester","CAS":"56909-01-4","CAS.Checksum":true,"DTXSID":"DTXSID70880896","Formula":"C14H24O2","All.Compound.Names":"12-tridecynoic acid, methyl ester|Dtxsid70880896","logHenry":-5.157,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.943,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.96,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.939,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.359,"MP.Reference":"EPA-CCD-OPERA","MW":224.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56909-01-4"}
{"Compound":"Levoglucosenone","CAS":"37112-31-5","CAS.Checksum":true,"DTXSID":"DTXSID70880912","Formula":"C6H6O3","All.Compound.Names":"Levoglucosenone|Dtxsid70880912","logHenry":-6.77,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1605,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.664,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4183,"logWSol.Reference":"EPA-CCD-OPERA","MP":85.98,"MP.Reference":"EPA-CCD-OPERA","MW":126.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"37112-31-5"}
{"Compound":"(2,3-diphenylcyclopropyl)methyl phenyl sulfoxide, trans-","CAS":"131758-71-9","CAS.Checksum":true,"DTXSID":"DTXSID70880917","Formula":"C22H20OS","All.Compound.Names":"(2,3-diphenylcyclopropyl)methyl phenyl sulfoxide, trans-|Dtxsid70880917","logHenry":-5.798,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.296,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.408,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.959,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.2,"MP.Reference":"EPA-CCD-OPERA","MW":332.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"131758-71-9"}
{"Compound":"(z)-hexadec-9-en-1-ol","CAS":"10378-01-5","CAS.Checksum":true,"DTXSID":"DTXSID70880932","Formula":"C16H32O","All.Compound.Names":"(z)-hexadec-9-en-1-ol|Dtxsid70880932|10378-01-5","logHenry":-4.845,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.578,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.168,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.436,"logWSol.Reference":"EPA-CCD-OPERA","MP":44.33,"MP.Reference":"EPA-CCD-OPERA","MW":240.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.55","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10378-01-5"}
{"Compound":"E-2-octenyl tiglate","CAS":"84271-97-6","CAS.Checksum":true,"DTXSID":"DTXSID70880937","Formula":"C13H22O2","All.Compound.Names":"E-2-octenyl tiglate|Dtxsid70880937","logHenry":-4.204,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.384,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.268,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.143,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.32,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"84271-97-6"}
{"Compound":"3-hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate","CAS":"74367-34-3","CAS.Checksum":true,"DTXSID":"DTXSID70881202","Formula":"C12H24O3","All.Compound.Names":"3-hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate|Dtxsid70881202|74367-34-3","logHenry":-7.688,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.932,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.826,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9033,"logWSol.Reference":"EPA-CCD-OPERA","MP":-28.48,"MP.Reference":"EPA-CCD-OPERA","MW":216.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74367-34-3"}
{"Compound":"Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1alpha,2alpha,5alpha)-","CAS":"547-60-4","CAS.Checksum":true,"DTXSID":"DTXSID70881207","Formula":"C10H16O","All.Compound.Names":"Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1alpha,2alpha,5alpha)-|Dtxsid70881207","logHenry":-4.057,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.991,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.837,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.048,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.641,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"547-60-4"}
{"Compound":"Cis-vaccenic acid","CAS":"506-17-2","CAS.Checksum":true,"DTXSID":"DTXSID70881242","Formula":"C18H34O2","All.Compound.Names":"Cis-vaccenic acid|Dtxsid70881242|506-17-2","logHenry":-7.218,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.557,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.055,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.834,"logWSol.Reference":"EPA-CCD-OPERA","MP":25.91,"MP.Reference":"EPA-CCD-OPERA","MW":282.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.26","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"506-17-2"}
{"Compound":"(-)-germacrene d","CAS":"23986-74-5","CAS.Checksum":true,"DTXSID":"DTXSID70881247","Formula":"C15H24","All.Compound.Names":"(-)-germacrene d|Dtxsid70881247","logHenry":-2.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.862,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.042,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.078,"logWSol.Reference":"EPA-CCD-OPERA","MP":-109.5,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23986-74-5"}
{"Compound":"Perfluorooctanesulfonate","CAS":"45298-90-6","CAS.Checksum":true,"DTXSID":"DTXSID80108992","Formula":"C8F17O3S","All.Compound.Names":"Perfluorooctanesulfonate|Dtxsid80108992|45298-90-6","logHenry":-10.74,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.609,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8616,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.088,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.2,"MP.Reference":"EPA-CCD-OPERA","MW":499.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"45298-90-6"}
{"Compound":"Benzene, 1,3-bis(1,1-dimethylethyl)-","CAS":"1014-60-4","CAS.Checksum":true,"DTXSID":"DTXSID80143904","Formula":"C14H22","All.Compound.Names":"Benzene, 1,3-bis(1,1-dimethylethyl)-|Dtxsid80143904|1,3-di-tert-butyl benzene","logHenry":-1.789,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.236,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.4786,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.798,"logWSol.Reference":"EPA-CCD-OPERA","MP":77.68,"MP.Reference":"EPA-CCD-OPERA","MW":190.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1014-60-4"}
{"Compound":"Butyl isobutyl phthalate","CAS":"17851-53-5","CAS.Checksum":true,"DTXSID":"DTXSID80170497","Formula":"C16H22O4","All.Compound.Names":"Butyl isobutyl phthalate|Dtxsid80170497","logHenry":-6.262,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.446,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.773,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.55,"logWSol.Reference":"EPA-CCD-OPERA","MP":4.425,"MP.Reference":"EPA-CCD-OPERA","MW":278.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17851-53-5"}
{"Compound":"Ethyl methylphenylglycidate, (e)-","CAS":"19464-92-7","CAS.Checksum":true,"DTXSID":"DTXSID80173105","Formula":"C12H14O3","All.Compound.Names":"Ethyl methylphenylglycidate, (e)-|Dtxsid80173105","logHenry":-6.752,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.526,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.828,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.904,"logWSol.Reference":"EPA-CCD-OPERA","MP":39.17,"MP.Reference":"EPA-CCD-OPERA","MW":206.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19464-92-7"}
{"Compound":"2-hexyl-1-octene","CAS":"19780-80-4","CAS.Checksum":true,"DTXSID":"DTXSID80173483","Formula":"C14H28","All.Compound.Names":"2-hexyl-1-octene|Dtxsid80173483","logHenry":-2.229,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.797,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2361,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.897,"logWSol.Reference":"EPA-CCD-OPERA","MP":-20.16,"MP.Reference":"EPA-CCD-OPERA","MW":196.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19780-80-4"}
{"Compound":"Benzene, (1-methylenepropyl)-","CAS":"2039-93-2","CAS.Checksum":true,"DTXSID":"DTXSID80174334","Formula":"C10H12","All.Compound.Names":"Benzene, (1-methylenepropyl)-|Dtxsid80174334","logHenry":-2.41,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.771,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.6615,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.499,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.72,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2039-93-2"}
{"Compound":"Laureth-2 acetate","CAS":"22606-46-8","CAS.Checksum":true,"DTXSID":"DTXSID80177128","Formula":"C18H36O4","All.Compound.Names":"Laureth-2 acetate|Dtxsid80177128","logHenry":-6.572,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.579,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.82,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.686,"logWSol.Reference":"EPA-CCD-OPERA","MP":-46.83,"MP.Reference":"EPA-CCD-OPERA","MW":316.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22606-46-8"}
{"Compound":"6-aminoundecane","CAS":"33788-00-0","CAS.Checksum":true,"DTXSID":"DTXSID80187449","Formula":"C11H25N","All.Compound.Names":"6-aminoundecane|Dtxsid80187449|33788-00-0","logHenry":-4.359,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.043,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.688,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.886,"logWSol.Reference":"EPA-CCD-OPERA","MP":21.81,"MP.Reference":"EPA-CCD-OPERA","MW":171.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.54","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33788-00-0"}
{"Compound":"Ethyl pentadecanoate","CAS":"41114-00-5","CAS.Checksum":true,"DTXSID":"DTXSID80194057","Formula":"C17H34O2","All.Compound.Names":"Ethyl pentadecanoate|Dtxsid80194057","logHenry":-6.584,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.993,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.396,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.585,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.58,"MP.Reference":"EPA-CCD-OPERA","MW":270.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41114-00-5"}
{"Compound":"Pentadecanoic acid, 14-methyl-, methyl ester","CAS":"5129-60-2","CAS.Checksum":true,"DTXSID":"DTXSID80199289","Formula":"C17H34O2","All.Compound.Names":"Pentadecanoic acid, 14-methyl-, methyl ester|Dtxsid80199289","logHenry":-6.123,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.035,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.173,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.383,"logWSol.Reference":"EPA-CCD-OPERA","MP":17.73,"MP.Reference":"EPA-CCD-OPERA","MW":270.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5129-60-2"}
{"Compound":"Tert-butyl alcohol","CAS":"75-65-0","CAS.Checksum":true,"DTXSID":"DTXSID8020204","Formula":"C4H10O","All.Compound.Names":"Tert-butyl alcohol|Dtxsid8020204|75-65-0","logHenry":-5.043,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.3529,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.163,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9586,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.74,"MP.Reference":"EPA-CCD-OPERA","MW":74.12,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"75-65-0"}
{"Compound":"Ticlopidine hydrochloride","CAS":"53885-35-1","CAS.Checksum":true,"DTXSID":"DTXSID80202141","Formula":"C14H15Cl2NS","All.Compound.Names":"Ticlopidine hydrochloride|Dtxsid80202141|53885-35-1","logHenry":-3.815,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5656,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.298,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.765,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.5,"MP.Reference":"EPA-CCD-OPERA","MW":300.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.93","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53885-35-1"}
{"Compound":"Phenylglyoxylic acid","CAS":"611-73-4","CAS.Checksum":true,"DTXSID":"DTXSID80209993","Formula":"C8H6O3","All.Compound.Names":"Phenylglyoxylic acid|Dtxsid80209993|611-73-4","logHenry":-7.902,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.764,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.612,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.328,"logWSol.Reference":"EPA-CCD-OPERA","MP":66.64,"MP.Reference":"EPA-CCD-OPERA","MW":150.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.42","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"611-73-4"}
{"Compound":"Alpha-tocopherol","CAS":"10191-41-0","CAS.Checksum":true,"DTXSID":"DTXSID8021355","Formula":"C29H50O2","All.Compound.Names":"Alpha-tocopherol|Dtxsid8021355|10191-41-0","logHenry":-7.283,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.409,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8797,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.554,"logWSol.Reference":"EPA-CCD-OPERA","MP":33.1,"MP.Reference":"EPA-CCD-OPERA","MW":430.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10191-41-0"}
{"Compound":"Vinyl bromide","CAS":"593-60-2","CAS.Checksum":true,"DTXSID":"DTXSID8021432","Formula":"C2H3Br","All.Compound.Names":"Vinyl bromide|Dtxsid8021432","logHenry":-2.139,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.571,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8719,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9773,"logWSol.Reference":"EPA-CCD-OPERA","MP":-137.3,"MP.Reference":"EPA-CCD-OPERA","MW":107,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"593-60-2"}
{"Compound":"Phenanthrene, 3,4,5,6-tetramethyl-","CAS":"7343-06-8","CAS.Checksum":true,"DTXSID":"DTXSID80223659","Formula":"C18H18","All.Compound.Names":"Phenanthrene, 3,4,5,6-tetramethyl-|Dtxsid80223659","logHenry":-4.579,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.003,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.592,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.618,"logWSol.Reference":"EPA-CCD-OPERA","MP":107.3,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7343-06-8"}
{"Compound":"Estradiol valerate","CAS":"979-32-8","CAS.Checksum":true,"DTXSID":"DTXSID8023004","Formula":"C23H32O3","All.Compound.Names":"Estradiol valerate|979-32-8|Dtxsid8023004","logHenry":-7.977,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.278,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.199,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.457,"logWSol.Reference":"EPA-CCD-OPERA","MP":230.4,"MP.Reference":"EPA-CCD-OPERA","MW":356.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.27","pKa_Accept.Reference":"OPERAv2.9","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.03,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"979-32-8"}
{"Compound":"L-tartaric acid","CAS":"87-69-4","CAS.Checksum":true,"DTXSID":"DTXSID8023632","Formula":"C4H6O6","All.Compound.Names":"L-tartaric acid|Dtxsid8023632|87-69-4","logHenry":-8.455,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.9,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.509,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4713,"logWSol.Reference":"EPA-CCD-OPERA","MP":173.6,"MP.Reference":"EPA-CCD-OPERA","MW":150.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87-69-4"}
{"Compound":"1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyran","CAS":"1222-05-5","CAS.Checksum":true,"DTXSID":"DTXSID8027373","Formula":"C18H26O","All.Compound.Names":"1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyran|Dtxsid8027373","logHenry":-3.516,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.898,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.286,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.173,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.982,"MP.Reference":"EPA-CCD-OPERA","MW":258.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1222-05-5"}
{"Compound":"Sec-butyl 3-methylbenzoate","CAS":"5448-57-7","CAS.Checksum":true,"DTXSID":"DTXSID80280666","Formula":"C12H16O2","All.Compound.Names":"Sec-butyl 3-methylbenzoate|Dtxsid80280666","logHenry":-4.056,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.397,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.415,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.021,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.35,"MP.Reference":"EPA-CCD-OPERA","MW":192.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5448-57-7"}
{"Compound":"Alpha-amyl cinnamaldehyde","CAS":"122-40-7","CAS.Checksum":true,"DTXSID":"DTXSID8029157","Formula":"C14H18O","All.Compound.Names":"Alpha-amyl cinnamaldehyde|Dtxsid8029157","logHenry":-4.692,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.99,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.429,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.091,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.12,"MP.Reference":"EPA-CCD-OPERA","MW":202.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"122-40-7"}
{"Compound":"1,1,2,2-(4,4',4'',4'''-tetraglycidyloxyphenyl)ethane","CAS":"7328-97-4","CAS.Checksum":true,"DTXSID":"DTXSID8029286","Formula":"C38H38O8","All.Compound.Names":"1,1,2,2-(4,4',4'',4'''-tetraglycidyloxyphenyl)ethane|Dtxsid8029286","logHenry":-6.426,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.431,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.243,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.775,"logWSol.Reference":"EPA-CCD-OPERA","MP":200.8,"MP.Reference":"EPA-CCD-OPERA","MW":622.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7328-97-4"}
{"Compound":"4,5-dimethyltetradecahydrophenanthrene","CAS":"56292-68-3","CAS.Checksum":true,"DTXSID":"DTXSID80299293","Formula":"C16H28","All.Compound.Names":"4,5-dimethyltetradecahydrophenanthrene|Dtxsid80299293","logHenry":-2.261,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.215,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.33,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.838,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.64,"MP.Reference":"EPA-CCD-OPERA","MW":220.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56292-68-3"}
{"Compound":"Octafluoroadipamide","CAS":"355-66-8","CAS.Checksum":true,"DTXSID":"DTXSID80310730","Formula":"C6H4F8N2O2","All.Compound.Names":"Octafluoroadipamide|Dtxsid80310730|355-66-8","logHenry":-10.32,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.853,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.988,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":167.1,"MP.Reference":"EPA-CCD-OPERA","MW":288.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"355-66-8"}
{"Compound":"Perfluorododecanoic acid","CAS":"307-55-1","CAS.Checksum":true,"DTXSID":"DTXSID8031861","Formula":"C12HF23O2","All.Compound.Names":"Perfluorododecanoic acid|Dtxsid8031861|307-55-1","logHenry":-9.468,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.241,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4897,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.869,"logWSol.Reference":"EPA-CCD-OPERA","MP":110.5,"MP.Reference":"EPA-CCD-OPERA","MW":614.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"307-55-1"}
{"Compound":"Beta-cyfluthrin","CAS":"1820573-27-0","CAS.Checksum":true,"DTXSID":"DTXSID8032330","Formula":"C22H18Cl2FNO3","All.Compound.Names":"Beta-cyfluthrin|Dtxsid8032330","logHenry":-7.4,"logHenry.Reference":"OPERA29","logP":5.95,"logP.Reference":"OPERA29","logWSol":-8.17,"logWSol.Reference":"OPERA29","MP":60,"MP.Reference":"OPERA29","MW":434.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1820573-27-0"}
{"Compound":"Primisulfuron-methyl","CAS":"86209-51-0","CAS.Checksum":true,"DTXSID":"DTXSID8032463","Formula":"C15H12F4N4O7S","All.Compound.Names":"Primisulfuron-methyl|Dtxsid8032463|86209-51-0","logHenry":-10.86,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.128,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.397,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.457,"logWSol.Reference":"EPA-CCD-OPERA","MP":196,"MP.Reference":"EPA-CCD-OPERA","MW":468.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"2.83","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86209-51-0"}
{"Compound":"Methylcyclodecane","CAS":"13151-43-4","CAS.Checksum":true,"DTXSID":"DTXSID80333808","Formula":"C11H22","All.Compound.Names":"Methylcyclodecane|Dtxsid80333808","logHenry":-1.185,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.664,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5873,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.239,"logWSol.Reference":"EPA-CCD-OPERA","MP":-129.7,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13151-43-4"}
{"Compound":"N-ethylvaleramide","CAS":"54007-33-9","CAS.Checksum":true,"DTXSID":"DTXSID80334653","Formula":"C7H15NO","All.Compound.Names":"N-ethylvaleramide|Dtxsid80334653|54007-33-9","logHenry":-6.886,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1431,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.745,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.425,"logWSol.Reference":"EPA-CCD-OPERA","MP":61.06,"MP.Reference":"EPA-CCD-OPERA","MW":129.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.96","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54007-33-9"}
{"Compound":"Methyl pristanate","CAS":"1001-80-5","CAS.Checksum":true,"DTXSID":"DTXSID80336819","Formula":"C20H40O2","All.Compound.Names":"Methyl pristanate|Dtxsid80336819","logHenry":-6.495,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.168,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.7425,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.226,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.53,"MP.Reference":"EPA-CCD-OPERA","MW":312.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1001-80-5"}
{"Compound":"3-dodecanoyloxypropyl dodecanoate","CAS":"26719-54-0","CAS.Checksum":true,"DTXSID":"DTXSID80336930","Formula":"C27H52O4","All.Compound.Names":"3-dodecanoyloxypropyl dodecanoate|Dtxsid80336930","logHenry":-6.569,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.288,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.401,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.771,"logWSol.Reference":"EPA-CCD-OPERA","MP":0.8652,"MP.Reference":"EPA-CCD-OPERA","MW":440.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26719-54-0"}
{"Compound":"1-hexyl-3-methylcyclopentane","CAS":"61142-68-5","CAS.Checksum":true,"DTXSID":"DTXSID80337689","Formula":"C12H24","All.Compound.Names":"1-hexyl-3-methylcyclopentane|Dtxsid80337689","logHenry":-1.183,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.719,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.02565,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.971,"logWSol.Reference":"EPA-CCD-OPERA","MP":-110.7,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61142-68-5"}
{"Compound":"Vinyl myristate","CAS":"5809-91-6","CAS.Checksum":true,"DTXSID":"DTXSID80337947","Formula":"C16H30O2","All.Compound.Names":"Vinyl myristate|Dtxsid80337947","logHenry":-6.122,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.578,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.836,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.899,"logWSol.Reference":"EPA-CCD-OPERA","MP":-9.348,"MP.Reference":"EPA-CCD-OPERA","MW":254.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5809-91-6"}
{"Compound":"3-hexadecyne","CAS":"61886-62-2","CAS.Checksum":true,"DTXSID":"DTXSID80338393","Formula":"C16H30","All.Compound.Names":"3-hexadecyne|Dtxsid80338393","logHenry":-2.887,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.423,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3752,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.296,"logWSol.Reference":"EPA-CCD-OPERA","MP":-68.53,"MP.Reference":"EPA-CCD-OPERA","MW":222.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61886-62-2"}
{"Compound":"3-octyne, 5-methyl-","CAS":"62108-33-2","CAS.Checksum":true,"DTXSID":"DTXSID80338398","Formula":"C9H16","All.Compound.Names":"3-octyne, 5-methyl-|Dtxsid80338398","logHenry":-1.128,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.233,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5795,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.482,"logWSol.Reference":"EPA-CCD-OPERA","MP":-93.03,"MP.Reference":"EPA-CCD-OPERA","MW":124.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62108-33-2"}
{"Compound":"1h-pyrazole, 4,5-dihydro-5,5-dimethyl-4-(1-methylethylidene)-","CAS":"106251-09-6","CAS.Checksum":true,"DTXSID":"DTXSID80339663","Formula":"C8H14N2","All.Compound.Names":"1h-pyrazole, 4,5-dihydro-5,5-dimethyl-4-(1-methylethylidene)-|Dtxsid80339663|106251-09-6","logHenry":-3.8,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.01,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.642,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8846,"logWSol.Reference":"EPA-CCD-OPERA","MP":35.24,"MP.Reference":"EPA-CCD-OPERA","MW":138.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.12","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106251-09-6"}
{"Compound":"2-octylcyclopentanone","CAS":"40566-23-2","CAS.Checksum":true,"DTXSID":"DTXSID80339784","Formula":"C13H24O","All.Compound.Names":"2-octylcyclopentanone|Dtxsid80339784","logHenry":-3.682,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.391,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.514,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.703,"logWSol.Reference":"EPA-CCD-OPERA","MP":22.26,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"40566-23-2"}
{"Compound":"5-butyl-3-methoxy-2-cyclopenten-1-one","CAS":"53690-89-4","CAS.Checksum":true,"DTXSID":"DTXSID80341600","Formula":"C10H16O2","All.Compound.Names":"5-butyl-3-methoxy-2-cyclopenten-1-one|Dtxsid80341600","logHenry":-4.311,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.029,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.846,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.455,"logWSol.Reference":"EPA-CCD-OPERA","MP":3.775,"MP.Reference":"EPA-CCD-OPERA","MW":168.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"53690-89-4"}
{"Compound":"(z)-1-ethylidene-1h-indene","CAS":"62933-90-8","CAS.Checksum":true,"DTXSID":"DTXSID80343200","Formula":"C11H10","All.Compound.Names":"(z)-1-ethylidene-1h-indene|Dtxsid80343200","logHenry":-3.429,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.237,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.313,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.923,"logWSol.Reference":"EPA-CCD-OPERA","MP":5.125,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62933-90-8"}
{"Compound":"Pyridalyl","CAS":"179101-81-6","CAS.Checksum":true,"DTXSID":"DTXSID8034875","Formula":"C18H14Cl4F3NO3","All.Compound.Names":"Pyridalyl|Dtxsid8034875|179101-81-6","logHenry":-7.347,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.796,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.941,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.082,"logWSol.Reference":"EPA-CCD-OPERA","MP":58.39,"MP.Reference":"EPA-CCD-OPERA","MW":491.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"179101-81-6"}
{"Compound":"2-ethylhexyl dihydrogen phosphate","CAS":"1070-03-7","CAS.Checksum":true,"DTXSID":"DTXSID8035184","Formula":"C8H19O4P","All.Compound.Names":"2-ethylhexyl dihydrogen phosphate|Dtxsid8035184|1070-03-7","logHenry":-6.935,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.133,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.977,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8475,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.21,"MP.Reference":"EPA-CCD-OPERA","MW":210.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.56","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1070-03-7"}
{"Compound":"Sulforaphane","CAS":"4478-93-7","CAS.Checksum":true,"DTXSID":"DTXSID8036732","Formula":"C6H11NOS2","All.Compound.Names":"Sulforaphane|Dtxsid8036732|4478-93-7","logHenry":-5.527,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.876,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.943,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.471,"logWSol.Reference":"EPA-CCD-OPERA","MP":91.15,"MP.Reference":"EPA-CCD-OPERA","MW":177.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.21","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4478-93-7"}
{"Compound":"11:1 fluorotelomer alcohol","CAS":"423-65-4","CAS.Checksum":true,"DTXSID":"DTXSID80375107","Formula":"C12H3F23O","All.Compound.Names":"11:1 fluorotelomer alcohol|Dtxsid80375107|423-65-4","logHenry":-9.431,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.131,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4154,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.466,"logWSol.Reference":"EPA-CCD-OPERA","MP":101.3,"MP.Reference":"EPA-CCD-OPERA","MW":600.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"423-65-4"}
{"Compound":"Endosulfan ii","CAS":"33213-65-9","CAS.Checksum":true,"DTXSID":"DTXSID8037540","Formula":"C9H6Cl6O3S","All.Compound.Names":"Endosulfan ii|Dtxsid8037540","logHenry":-4.89,"logHenry.Reference":"OPERA29","logP":3.83,"logP.Reference":"OPERA29","logWSol":-5.99,"logWSol.Reference":"OPERA29","MP":108,"MP.Reference":"OPERA29","MW":406.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"33213-65-9"}
{"Compound":"1h,1h,6h,6h-perfluorohexane-1,6-diol diacrylate","CAS":"2264-01-9","CAS.Checksum":true,"DTXSID":"DTXSID80379721","Formula":"C12H10F8O4","All.Compound.Names":"1h,1h,6h,6h-perfluorohexane-1,6-diol diacrylate|Dtxsid80379721","logHenry":-7.749,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.665,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.829,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.634,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.42,"MP.Reference":"EPA-CCD-OPERA","MW":370.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"2264-01-9"}
{"Compound":"Perfluorocyclohexanecarbonyl fluoride","CAS":"6588-63-2","CAS.Checksum":true,"DTXSID":"DTXSID80379781","Formula":"C7F12O","All.Compound.Names":"Perfluorocyclohexanecarbonyl fluoride|Dtxsid80379781","logHenry":-1.718,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.659,"logP.Reference":"EPA-CCD-OPERA","logPwa":-2.634,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.379,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.32,"MP.Reference":"EPA-CCD-OPERA","MW":328.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"6588-63-2"}
{"Compound":"2-aminohexafluoropropan-2-ol","CAS":"31253-34-6","CAS.Checksum":true,"DTXSID":"DTXSID80382093","Formula":"C3H3F6NO","All.Compound.Names":"2-aminohexafluoropropan-2-ol|Dtxsid80382093|31253-34-6","logHenry":-5.097,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.071,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.065,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8727,"logWSol.Reference":"EPA-CCD-OPERA","MP":79.12,"MP.Reference":"EPA-CCD-OPERA","MW":183.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"31253-34-6"}
{"Compound":"Methyl perfluoro(3-(1-ethenyloxypropan-2-yloxy)propanoate)","CAS":"63863-43-4","CAS.Checksum":true,"DTXSID":"DTXSID8044969","Formula":"C9H3F13O4","All.Compound.Names":"Methyl perfluoro(3-(1-ethenyloxypropan-2-yloxy)propanoate)|Dtxsid8044969","logHenry":-6.634,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.48,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.009,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.343,"logWSol.Reference":"EPA-CCD-OPERA","MP":-40.52,"MP.Reference":"EPA-CCD-OPERA","MW":422.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"63863-43-4"}
{"Compound":"Methyl 2-nonenoate","CAS":"111-79-5","CAS.Checksum":true,"DTXSID":"DTXSID8047638","Formula":"C10H18O2","All.Compound.Names":"Methyl 2-nonenoate|Dtxsid8047638","logHenry":-3.594,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.577,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.482,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.301,"logWSol.Reference":"EPA-CCD-OPERA","MP":-54,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"111-79-5"}
{"Compound":"N-[(perfluorooctylsulfonamido)propyl]-n,n,n-trimethylammonium iodide","CAS":"1652-63-7","CAS.Checksum":true,"DTXSID":"DTXSID8051419","Formula":"C14H16F17IN2O2S","All.Compound.Names":"N-[(perfluorooctylsulfonamido)propyl]-n,n,n-trimethylammonium iodide|Dtxsid8051419|1652-63-7","logHenry":-9.482,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.722,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.759,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.085,"logWSol.Reference":"EPA-CCD-OPERA","MP":165.6,"MP.Reference":"EPA-CCD-OPERA","MW":726.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.22","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"1652-63-7"}
{"Compound":"1,3,3-trimethyl-2-methyleneindoline","CAS":"118-12-7","CAS.Checksum":true,"DTXSID":"DTXSID8051596","Formula":"C12H15N","All.Compound.Names":"1,3,3-trimethyl-2-methyleneindoline|Dtxsid8051596|118-12-7","logHenry":-3.046,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.396,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.118,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.681,"logWSol.Reference":"EPA-CCD-OPERA","MP":65.41,"MP.Reference":"EPA-CCD-OPERA","MW":173.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.23","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"118-12-7"}
{"Compound":"(cis-4-isopropylcyclohexyl)methanol","CAS":"13828-37-0","CAS.Checksum":true,"DTXSID":"DTXSID8051700","Formula":"C10H20O","All.Compound.Names":"(cis-4-isopropylcyclohexyl)methanol|Dtxsid8051700|13828-37-0","logHenry":-4.43,"logHenry.Reference":"OPERA29","logP":3.48,"logP.Reference":"OPERA29","logWSol":-2.87,"logWSol.Reference":"OPERA29","MP":-20,"MP.Reference":"OPERA29","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.46","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13828-37-0"}
{"Compound":"Perfluoro-3-(1h-perfluoroethoxy)propane","CAS":"3330-15-2","CAS.Checksum":true,"DTXSID":"DTXSID8052017","Formula":"C5HF11O","All.Compound.Names":"Perfluoro-3-(1h-perfluoroethoxy)propane|Dtxsid8052017","logHenry":-1.896,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.893,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.929,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.367,"logWSol.Reference":"EPA-CCD-OPERA","MP":-48.16,"MP.Reference":"EPA-CCD-OPERA","MW":286,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"3330-15-2"}
{"Compound":"2-pentanyl acetate","CAS":"626-38-0","CAS.Checksum":true,"DTXSID":"DTXSID8052306","Formula":"C7H14O2","All.Compound.Names":"2-pentanyl acetate|Dtxsid8052306","logHenry":-3.395,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.272,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.616,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.837,"logWSol.Reference":"EPA-CCD-OPERA","MP":-96.23,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"626-38-0"}
{"Compound":"2-amino-4,6-dimethylpyrimidine","CAS":"767-15-7","CAS.Checksum":true,"DTXSID":"DTXSID8052510","Formula":"C6H9N3","All.Compound.Names":"2-amino-4,6-dimethylpyrimidine|Dtxsid8052510|767-15-7","logHenry":-6.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.07839,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.618,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4933,"logWSol.Reference":"EPA-CCD-OPERA","MP":152.1,"MP.Reference":"EPA-CCD-OPERA","MW":123.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.28","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"767-15-7"}
{"Compound":"Hexahydro-1,3,5-tris(1-oxoallyl)-1,3,5-triazine","CAS":"959-52-4","CAS.Checksum":true,"DTXSID":"DTXSID8052645","Formula":"C12H15N3O3","All.Compound.Names":"Hexahydro-1,3,5-tris(1-oxoallyl)-1,3,5-triazine|Dtxsid8052645|959-52-4","logHenry":-8.887,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.4907,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.904,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.746,"logWSol.Reference":"EPA-CCD-OPERA","MP":92.59,"MP.Reference":"EPA-CCD-OPERA","MW":249.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"6.62","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"959-52-4"}
{"Compound":"3-methylpentane","CAS":"96-14-0","CAS.Checksum":true,"DTXSID":"DTXSID8052647","Formula":"C6H14","All.Compound.Names":"3-methylpentane|Dtxsid8052647","logHenry":-0.3307,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.6,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8422,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.682,"logWSol.Reference":"EPA-CCD-OPERA","MP":-160.9,"MP.Reference":"EPA-CCD-OPERA","MW":86.18,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-14-0"}
{"Compound":"4-bromobutyric acid","CAS":"2623-87-2","CAS.Checksum":true,"DTXSID":"DTXSID8052699","Formula":"C4H7BrO2","All.Compound.Names":"4-bromobutyric acid|Dtxsid8052699|2623-87-2","logHenry":-6.176,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.474,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.509,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8849,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.42,"MP.Reference":"EPA-CCD-OPERA","MW":167,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.38","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2623-87-2"}
{"Compound":"Acridine","CAS":"260-94-6","CAS.Checksum":true,"DTXSID":"DTXSID8059766","Formula":"C13H9N","All.Compound.Names":"Acridine|Dtxsid8059766|260-94-6","logHenry":-3.909,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.401,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.971,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.641,"logWSol.Reference":"EPA-CCD-OPERA","MP":106.3,"MP.Reference":"EPA-CCD-OPERA","MW":179.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.7","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"260-94-6"}
{"Compound":"Perfluoroheptanesulfonic acid","CAS":"375-92-8","CAS.Checksum":true,"DTXSID":"DTXSID8059920","Formula":"C7HF15O3S","All.Compound.Names":"Perfluoroheptanesulfonic acid|Dtxsid8059920|375-92-8","logHenry":-9.747,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.314,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3965,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.987,"logWSol.Reference":"EPA-CCD-OPERA","MP":182,"MP.Reference":"EPA-CCD-OPERA","MW":450.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"375-92-8"}
{"Compound":"Perfluoropropanoic acid","CAS":"422-64-0","CAS.Checksum":true,"DTXSID":"DTXSID8059970","Formula":"C3HF5O2","All.Compound.Names":"Perfluoropropanoic acid|Dtxsid8059970|422-64-0","logHenry":-5.438,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.416,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.171,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8325,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.93,"MP.Reference":"EPA-CCD-OPERA","MW":164,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"422-64-0"}
{"Compound":"Azetidine","CAS":"503-29-7","CAS.Checksum":true,"DTXSID":"DTXSID8060117","Formula":"C3H7N","All.Compound.Names":"Azetidine|Dtxsid8060117|503-29-7","logHenry":-5.353,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.06645,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.845,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.025,"logWSol.Reference":"EPA-CCD-OPERA","MP":-71.76,"MP.Reference":"EPA-CCD-OPERA","MW":57.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"9.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"503-29-7"}
{"Compound":"1-phenylnaphthalene","CAS":"605-02-7","CAS.Checksum":true,"DTXSID":"DTXSID8060539","Formula":"C16H12","All.Compound.Names":"1-phenylnaphthalene|Dtxsid8060539","logHenry":-4.753,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.114,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.761,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.442,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.8,"MP.Reference":"EPA-CCD-OPERA","MW":204.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"605-02-7"}
{"Compound":"2-phenylnaphthalene","CAS":"612-94-2","CAS.Checksum":true,"DTXSID":"DTXSID8060614","Formula":"C16H12","All.Compound.Names":"2-phenylnaphthalene|Dtxsid8060614","logHenry":-4.423,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.938,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.604,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.482,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.3,"MP.Reference":"EPA-CCD-OPERA","MW":204.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"612-94-2"}
{"Compound":"Heptane, 1,1'-oxybis-","CAS":"629-64-1","CAS.Checksum":true,"DTXSID":"DTXSID8060878","Formula":"C14H30O","All.Compound.Names":"Heptane, 1,1'-oxybis-|Dtxsid8060878","logHenry":-3.354,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.844,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.217,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.099,"logWSol.Reference":"EPA-CCD-OPERA","MP":-13.01,"MP.Reference":"EPA-CCD-OPERA","MW":214.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"629-64-1"}
{"Compound":"N-tetracosane","CAS":"646-31-1","CAS.Checksum":true,"DTXSID":"DTXSID8060955","Formula":"C24H50","All.Compound.Names":"N-tetracosane|Dtxsid8060955","logHenry":-6.068,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.051,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.322,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.036,"logWSol.Reference":"EPA-CCD-OPERA","MP":53.11,"MP.Reference":"EPA-CCD-OPERA","MW":338.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"646-31-1"}
{"Compound":"2,3,6-trimethylnaphthalene","CAS":"829-26-5","CAS.Checksum":true,"DTXSID":"DTXSID8061189","Formula":"C13H14","All.Compound.Names":"2,3,6-trimethylnaphthalene|Dtxsid8061189","logHenry":-3.235,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.729,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.009,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.998,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.72,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"829-26-5"}
{"Compound":"Benzene, hexyl-","CAS":"1077-16-3","CAS.Checksum":true,"DTXSID":"DTXSID8061476","Formula":"C12H18","All.Compound.Names":"Benzene, hexyl-|Dtxsid8061476","logHenry":-1.909,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.52,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.248,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.229,"logWSol.Reference":"EPA-CCD-OPERA","MP":-60.22,"MP.Reference":"EPA-CCD-OPERA","MW":162.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1077-16-3"}
{"Compound":"Acetic acid, 2-(dimethylamino)ethyl ester","CAS":"1421-89-2","CAS.Checksum":true,"DTXSID":"DTXSID8061684","Formula":"C6H13NO2","All.Compound.Names":"Acetic acid, 2-(dimethylamino)ethyl ester|Dtxsid8061684|1421-89-2","logHenry":-4.756,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.197,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.732,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.01948,"logWSol.Reference":"EPA-CCD-OPERA","MP":-39.45,"MP.Reference":"EPA-CCD-OPERA","MW":131.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1421-89-2"}
{"Compound":"1-propene, 3-propoxy-","CAS":"1471-03-0","CAS.Checksum":true,"DTXSID":"DTXSID8061715","Formula":"C6H12O","All.Compound.Names":"1-propene, 3-propoxy-|Dtxsid8061715","logHenry":-2.783,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.527,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.659,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4871,"logWSol.Reference":"EPA-CCD-OPERA","MP":-107.5,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1471-03-0"}
{"Compound":"Methyl n-nonanoate","CAS":"1731-84-6","CAS.Checksum":true,"DTXSID":"DTXSID8061921","Formula":"C10H20O2","All.Compound.Names":"Methyl n-nonanoate|Dtxsid8061921","logHenry":-3.621,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.095,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9681,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.711,"logWSol.Reference":"EPA-CCD-OPERA","MP":-53.46,"MP.Reference":"EPA-CCD-OPERA","MW":172.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1731-84-6"}
{"Compound":"Methyl tridecanoate","CAS":"1731-88-0","CAS.Checksum":true,"DTXSID":"DTXSID8061923","Formula":"C14H28O2","All.Compound.Names":"Methyl tridecanoate|Dtxsid8061923","logHenry":-5.11,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.798,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.45,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.053,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.165,"MP.Reference":"EPA-CCD-OPERA","MW":228.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1731-88-0"}
{"Compound":"Undecane, 1-chloro-","CAS":"2473-03-2","CAS.Checksum":true,"DTXSID":"DTXSID8062448","Formula":"C11H23Cl","All.Compound.Names":"Undecane, 1-chloro-|Dtxsid8062448","logHenry":-3.075,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.843,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1067,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.712,"logWSol.Reference":"EPA-CCD-OPERA","MP":-17.73,"MP.Reference":"EPA-CCD-OPERA","MW":190.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2473-03-2"}
{"Compound":"P-di-tert-amylbenzene","CAS":"3373-10-2","CAS.Checksum":true,"DTXSID":"DTXSID8062999","Formula":"C16H26","All.Compound.Names":"P-di-tert-amylbenzene|Dtxsid8062999","logHenry":-2.267,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.508,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3659,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.062,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.58,"MP.Reference":"EPA-CCD-OPERA","MW":218.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3373-10-2"}
{"Compound":".beta.-methoxystyrene","CAS":"4747-15-3","CAS.Checksum":true,"DTXSID":"DTXSID8063595","Formula":"C9H10O","All.Compound.Names":".beta.-methoxystyrene|Dtxsid8063595","logHenry":-5.009,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.635,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.682,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.055,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.298,"MP.Reference":"EPA-CCD-OPERA","MW":134.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4747-15-3"}
{"Compound":"Thiophene, 2-pentyl-","CAS":"4861-58-9","CAS.Checksum":true,"DTXSID":"DTXSID8063628","Formula":"C9H14S","All.Compound.Names":"Thiophene, 2-pentyl-|Dtxsid8063628","logHenry":-2.475,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.072,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9822,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.289,"logWSol.Reference":"EPA-CCD-OPERA","MP":-61.83,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4861-58-9"}
{"Compound":"Boron, [[2,2',2''-(nitrilo-.kappa.n)tris[ethanolato-.kappa.o]](3-)]-, (t-4)-","CAS":"15277-97-1","CAS.Checksum":true,"DTXSID":"DTXSID8065874","Formula":"C6H12BNO3","All.Compound.Names":"Boron, [[2,2',2''-(nitrilo-.kappa.n)tris[ethanolato-.kappa.o]](3-)]-, (t-4)-|Dtxsid8065874|15277-97-1","logHenry":-7.08,"logHenry.Reference":"OPERA29","logP":-0.23,"logP.Reference":"OPERA29","logWSol":-0.12,"logWSol.Reference":"OPERA29","MP":22,"MP.Reference":"OPERA29","MW":157,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.92","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15277-97-1"}
{"Compound":"Ethyl tridecanoate","CAS":"28267-29-0","CAS.Checksum":true,"DTXSID":"DTXSID8067369","Formula":"C15H30O2","All.Compound.Names":"Ethyl tridecanoate|Dtxsid8067369","logHenry":-5.574,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.23,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.214,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.512,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.596,"MP.Reference":"EPA-CCD-OPERA","MW":242.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28267-29-0"}
{"Compound":"2-nonenenitrile","CAS":"29127-83-1","CAS.Checksum":true,"DTXSID":"DTXSID8067444","Formula":"C9H15N","All.Compound.Names":"2-nonenenitrile|Dtxsid8067444","logHenry":-3.97,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.33,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.485,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.947,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.06,"MP.Reference":"EPA-CCD-OPERA","MW":137.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29127-83-1"}
{"Compound":"Propane, 1-(chloromethoxy)-2-methyl-","CAS":"34180-11-5","CAS.Checksum":true,"DTXSID":"DTXSID8067818","Formula":"C5H11ClO","All.Compound.Names":"Propane, 1-(chloromethoxy)-2-methyl-|Dtxsid8067818","logHenry":-3.603,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.374,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.311,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.227,"logWSol.Reference":"EPA-CCD-OPERA","MP":-92.66,"MP.Reference":"EPA-CCD-OPERA","MW":122.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34180-11-5"}
{"Compound":"Pentane, 3-ethyl-","CAS":"617-78-7","CAS.Checksum":true,"DTXSID":"DTXSID8073211","Formula":"C7H16","All.Compound.Names":"Pentane, 3-ethyl-|Dtxsid8073211|3-ethylpentane","logHenry":-0.3712,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.105,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.778,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.398,"logWSol.Reference":"EPA-CCD-OPERA","MP":-118.5,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"617-78-7"}
{"Compound":"9,10-dimethylanthracene","CAS":"781-43-1","CAS.Checksum":true,"DTXSID":"DTXSID8073928","Formula":"C16H14","All.Compound.Names":"9,10-dimethylanthracene|Dtxsid8073928","logHenry":-4.482,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.688,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.183,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.568,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.9,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"781-43-1"}
{"Compound":"11-tricosene","CAS":"52078-56-5","CAS.Checksum":true,"DTXSID":"DTXSID8074314","Formula":"C23H46","All.Compound.Names":"11-tricosene|Dtxsid8074314","logHenry":-6.452,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.451,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8096,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.364,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.67,"MP.Reference":"EPA-CCD-OPERA","MW":322.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"52078-56-5"}
{"Compound":"Benzo[b]naphtho[2,1-d]thiophene","CAS":"239-35-0","CAS.Checksum":true,"DTXSID":"DTXSID8075205","Formula":"C16H10S","All.Compound.Names":"Benzo[b]naphtho[2,1-d]thiophene|Dtxsid8075205","logHenry":-4.848,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.513,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.348,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.211,"logWSol.Reference":"EPA-CCD-OPERA","MP":188.8,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"239-35-0"}
{"Compound":"Acetic acid, 1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl ester","CAS":"92618-89-8","CAS.Checksum":true,"DTXSID":"DTXSID80859098","Formula":"C12H20O2","All.Compound.Names":"Acetic acid, 1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl ester|Dtxsid80859098","logHenry":-3.287,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.299,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.573,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.72,"logWSol.Reference":"EPA-CCD-OPERA","MP":29.15,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"92618-89-8"}
{"Compound":"Cyclohexanone, 5-methyl-2-(1-methylethyl)-","CAS":"10458-14-7","CAS.Checksum":true,"DTXSID":"DTXSID80859154","Formula":"C10H18O","All.Compound.Names":"Cyclohexanone, 5-methyl-2-(1-methylethyl)-|Dtxsid80859154|5-methyl-2-(1-methylethyl)cyclohexanone","logHenry":-3.951,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.052,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.799,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.447,"logWSol.Reference":"EPA-CCD-OPERA","MP":-3.483,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10458-14-7"}
{"Compound":"1-(diphenylmethyl)-4-[(2e)-3-phenylprop-2-en-1-yl]piperazine","CAS":"16699-20-0","CAS.Checksum":true,"DTXSID":"DTXSID80859311","Formula":"C26H28N2","All.Compound.Names":"1-(diphenylmethyl)-4-[(2e)-3-phenylprop-2-en-1-yl]piperazine|Dtxsid80859311|16699-20-0","logHenry":-5.654,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.77,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.93,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.696,"logWSol.Reference":"EPA-CCD-OPERA","MP":95,"MP.Reference":"EPA-CCD-OPERA","MW":368.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"8.33","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16699-20-0"}
{"Compound":"Formic acid, 1-methylpropyl ester","CAS":"589-40-2","CAS.Checksum":true,"DTXSID":"DTXSID80862249","Formula":"C5H10O2","All.Compound.Names":"Formic acid, 1-methylpropyl ester|Dtxsid80862249","logHenry":-3.466,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.356,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.395,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9226,"logWSol.Reference":"EPA-CCD-OPERA","MP":-85.62,"MP.Reference":"EPA-CCD-OPERA","MW":102.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"589-40-2"}
{"Compound":"1,3-diphenylpropane","CAS":"1081-75-0","CAS.Checksum":true,"DTXSID":"DTXSID80862527","Formula":"C15H16","All.Compound.Names":"1,3-diphenylpropane|Dtxsid80862527","logHenry":-3.504,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.435,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.999,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.91,"logWSol.Reference":"EPA-CCD-OPERA","MP":6.395,"MP.Reference":"EPA-CCD-OPERA","MW":196.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1081-75-0"}
{"Compound":"6,10-dimethylundecan-2-one","CAS":"1604-34-8","CAS.Checksum":true,"DTXSID":"DTXSID80862709","Formula":"C13H26O","All.Compound.Names":"6,10-dimethylundecan-2-one|Dtxsid80862709","logHenry":-3.614,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.258,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.8507,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.918,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.39,"MP.Reference":"EPA-CCD-OPERA","MW":198.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1604-34-8"}
{"Compound":"2-(2-methoxypropoxy)propanol","CAS":"13588-28-8","CAS.Checksum":true,"DTXSID":"DTXSID80864425","Formula":"C7H16O3","All.Compound.Names":"2-(2-methoxypropoxy)propanol|Dtxsid80864425|13588-28-8","logHenry":-8.435,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4179,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.271,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.5273,"logWSol.Reference":"EPA-CCD-OPERA","MP":-44.67,"MP.Reference":"EPA-CCD-OPERA","MW":148.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.98","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13588-28-8"}
{"Compound":"3,7-dimethyldecane","CAS":"17312-54-8","CAS.Checksum":true,"DTXSID":"DTXSID80864768","Formula":"C12H26","All.Compound.Names":"3,7-dimethyldecane|Dtxsid80864768","logHenry":-0.8325,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.183,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.128,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.132,"logWSol.Reference":"EPA-CCD-OPERA","MP":-82.61,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17312-54-8"}
{"Compound":"Octanamide, n-(2-hydroxyethyl)-","CAS":"7112-02-9","CAS.Checksum":true,"DTXSID":"DTXSID80867815","Formula":"C10H21NO2","All.Compound.Names":"Octanamide, n-(2-hydroxyethyl)-|Dtxsid80867815","logHenry":-8.717,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.184,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.918,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.264,"logWSol.Reference":"EPA-CCD-OPERA","MP":123.5,"MP.Reference":"EPA-CCD-OPERA","MW":187.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7112-02-9"}
{"Compound":"Tripropylsilane","CAS":"998-29-8","CAS.Checksum":true,"DTXSID":"DTXSID80870824","Formula":"C9H22Si","All.Compound.Names":"Tripropylsilane|Dtxsid80870824","logHenry":0.03544,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.839,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.06905,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.962,"logWSol.Reference":"EPA-CCD-OPERA","MP":-14.93,"MP.Reference":"EPA-CCD-OPERA","MW":158.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"998-29-8"}
{"Compound":"2-hexadecanol","CAS":"14852-31-4","CAS.Checksum":true,"DTXSID":"DTXSID80871235","Formula":"C16H34O","All.Compound.Names":"2-hexadecanol|Dtxsid80871235|14852-31-4","logHenry":-4.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.936,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.623,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.048,"logWSol.Reference":"EPA-CCD-OPERA","MP":43.92,"MP.Reference":"EPA-CCD-OPERA","MW":242.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"14852-31-4"}
{"Compound":"Naphthalene, 5-ethyl-1,2,3,4-tetrahydro-","CAS":"42775-75-7","CAS.Checksum":true,"DTXSID":"DTXSID80871391","Formula":"C12H16","All.Compound.Names":"Naphthalene, 5-ethyl-1,2,3,4-tetrahydro-|Dtxsid80871391","logHenry":-2.102,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.615,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.18,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.998,"logWSol.Reference":"EPA-CCD-OPERA","MP":-56.38,"MP.Reference":"EPA-CCD-OPERA","MW":160.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"42775-75-7"}
{"Compound":"2,4-xylenesulfonic acid monohydrate","CAS":"58811-92-0","CAS.Checksum":true,"DTXSID":"DTXSID80872343","Formula":"C8H12O4S","All.Compound.Names":"2,4-xylenesulfonic acid monohydrate|Dtxsid80872343|58811-92-0","logHenry":-7.87,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.265,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.65,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.1024,"logWSol.Reference":"EPA-CCD-OPERA","MP":78.64,"MP.Reference":"EPA-CCD-OPERA","MW":204.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"1.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"58811-92-0"}
{"Compound":"8-hexadecyne","CAS":"19781-86-3","CAS.Checksum":true,"DTXSID":"DTXSID80873097","Formula":"C16H30","All.Compound.Names":"8-hexadecyne|Dtxsid80873097","logHenry":-2.908,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.318,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.271,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.308,"logWSol.Reference":"EPA-CCD-OPERA","MP":-68.53,"MP.Reference":"EPA-CCD-OPERA","MW":222.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19781-86-3"}
{"Compound":"Tetradecyl trifluoroacetate","CAS":"6222-02-2","CAS.Checksum":true,"DTXSID":"DTXSID80873294","Formula":"C16H29F3O2","All.Compound.Names":"Tetradecyl trifluoroacetate|Dtxsid80873294","logHenry":-5.865,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.567,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.03514,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.846,"logWSol.Reference":"EPA-CCD-OPERA","MP":-40.34,"MP.Reference":"EPA-CCD-OPERA","MW":310.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6222-02-2"}
{"Compound":"Benzene, (1-propyloctyl)-","CAS":"4536-86-1","CAS.Checksum":true,"DTXSID":"DTXSID80874983","Formula":"C17H28","All.Compound.Names":"Benzene, (1-propyloctyl)-|Dtxsid80874983","logHenry":-3.214,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.582,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.227,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.953,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.966,"MP.Reference":"EPA-CCD-OPERA","MW":232.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4536-86-1"}
{"Compound":"Cyclopentane, 1-methyl-2-(2-propenyl)-, trans-","CAS":"50746-53-7","CAS.Checksum":true,"DTXSID":"DTXSID80880640","Formula":"C9H16","All.Compound.Names":"Cyclopentane, 1-methyl-2-(2-propenyl)-, trans-|Dtxsid80880640","logHenry":-1.188,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.386,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.5049,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.541,"logWSol.Reference":"EPA-CCD-OPERA","MP":-120.6,"MP.Reference":"EPA-CCD-OPERA","MW":124.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"50746-53-7"}
{"Compound":"Hexasiloxane, 1,1,3,3,5,5,7,7,9,9,11,11-dodecamethyl-","CAS":"995-82-4","CAS.Checksum":true,"DTXSID":"DTXSID80880645","Formula":"C12H38O5Si6","All.Compound.Names":"Hexasiloxane, 1,1,3,3,5,5,7,7,9,9,11,11-dodecamethyl-|Dtxsid80880645","logHenry":1.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.11,"logP.Reference":"EPA-CCD-OPERA","logPwa":-2.238,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.3,"logWSol.Reference":"EPA-CCD-OPERA","MP":-36.12,"MP.Reference":"EPA-CCD-OPERA","MW":430.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"995-82-4"}
{"Compound":"7-methylene-9-oxabicyclo[6.1.0]non-2-ene","CAS":"264628-23-1","CAS.Checksum":true,"DTXSID":"DTXSID80880660","Formula":"C9H12O","All.Compound.Names":"7-methylene-9-oxabicyclo[6.1.0]non-2-ene|Dtxsid80880660","logHenry":-3.373,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.004,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.309,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.798,"logWSol.Reference":"EPA-CCD-OPERA","MP":-37.43,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"264628-23-1"}
{"Compound":"1,e-8,z-10-pentadecatriene","CAS":"80625-32-7","CAS.Checksum":true,"DTXSID":"DTXSID80880665","Formula":"C15H26","All.Compound.Names":"1,e-8,z-10-pentadecatriene|Dtxsid80880665","logHenry":-2.863,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.106,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2285,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.102,"logWSol.Reference":"EPA-CCD-OPERA","MP":-75.8,"MP.Reference":"EPA-CCD-OPERA","MW":206.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"80625-32-7"}
{"Compound":"Naphthalene, 1,2,3,4-tetrahydro-1-phenyl-","CAS":"3018-20-0","CAS.Checksum":true,"DTXSID":"DTXSID80880680","Formula":"C16H16","All.Compound.Names":"Naphthalene, 1,2,3,4-tetrahydro-1-phenyl-|Dtxsid80880680","logHenry":-3.826,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.611,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.183,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.248,"logWSol.Reference":"EPA-CCD-OPERA","MP":83.92,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3018-20-0"}
{"Compound":"2-naphthalenol, 1,2-dihydro-, acetate","CAS":"132316-80-4","CAS.Checksum":true,"DTXSID":"DTXSID80880685","Formula":"C12H12O2","All.Compound.Names":"2-naphthalenol, 1,2-dihydro-, acetate|Dtxsid80880685","logHenry":-5.67,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.5,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.839,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.603,"logWSol.Reference":"EPA-CCD-OPERA","MP":55.92,"MP.Reference":"EPA-CCD-OPERA","MW":188.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"132316-80-4"}
{"Compound":"(1e,3z,6e,10e,14s)-3,7,11-trimethyl-14-(1-methylethyl)-1,3,6,10-cyclotetradecatetraene","CAS":"1898-13-1","CAS.Checksum":true,"DTXSID":"DTXSID80880701","Formula":"C20H32","All.Compound.Names":"(1e,3z,6e,10e,14s)-3,7,11-trimethyl-14-(1-methylethyl)-1,3,6,10-cyclotetradecatetraene|Dtxsid80880701","logHenry":-2.64,"logHenry.Reference":"OPERA29","logP":6.6,"logP.Reference":"OPERA29","logWSol":-7.11,"logWSol.Reference":"OPERA29","MP":-33,"MP.Reference":"OPERA29","MW":272.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1898-13-1"}
{"Compound":"2-methyl-5-hexen-3-ol","CAS":"32815-70-6","CAS.Checksum":true,"DTXSID":"DTXSID80880706","Formula":"C7H14O","All.Compound.Names":"2-methyl-5-hexen-3-ol|Dtxsid80880706|32815-70-6","logHenry":-4.849,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.02,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.622,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7198,"logWSol.Reference":"EPA-CCD-OPERA","MP":-49.38,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"13.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32815-70-6"}
{"Compound":"1-nonene, 4,6,8-trimethyl-","CAS":"54410-98-9","CAS.Checksum":true,"DTXSID":"DTXSID80880721","Formula":"C12H24","All.Compound.Names":"1-nonene, 4,6,8-trimethyl-|Dtxsid80880721","logHenry":-1.169,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.297,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.4837,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.563,"logWSol.Reference":"EPA-CCD-OPERA","MP":-106.9,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54410-98-9"}
{"Compound":"1-octanol, 3,7-dimethyl-, (s)-","CAS":"68680-98-8","CAS.Checksum":true,"DTXSID":"DTXSID80880726","Formula":"C10H22O","All.Compound.Names":"1-octanol, 3,7-dimethyl-, (s)-|Dtxsid80880726|68680-98-8","logHenry":-4.649,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.757,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.107,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.349,"logWSol.Reference":"EPA-CCD-OPERA","MP":2.545,"MP.Reference":"EPA-CCD-OPERA","MW":158.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.37","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68680-98-8"}
{"Compound":"1-octene, 6-methyl-","CAS":"13151-10-5","CAS.Checksum":true,"DTXSID":"DTXSID80880741","Formula":"C9H18","All.Compound.Names":"1-octene, 6-methyl-|Dtxsid80880741","logHenry":-0.9429,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.857,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.9885,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.077,"logWSol.Reference":"EPA-CCD-OPERA","MP":-124.3,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13151-10-5"}
{"Compound":"Heptadecane, 2,6,10,14-tetramethyl-","CAS":"18344-37-1","CAS.Checksum":true,"DTXSID":"DTXSID80880746","Formula":"C21H44","All.Compound.Names":"Heptadecane, 2,6,10,14-tetramethyl-|Dtxsid80880746","logHenry":-5.26,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.479,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.615,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.978,"logWSol.Reference":"EPA-CCD-OPERA","MP":-51.7,"MP.Reference":"EPA-CCD-OPERA","MW":296.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18344-37-1"}
{"Compound":"2-nonadecanol","CAS":"26533-36-8","CAS.Checksum":true,"DTXSID":"DTXSID80880761","Formula":"C19H40O","All.Compound.Names":"2-nonadecanol|Dtxsid80880761|26533-36-8","logHenry":-6.103,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.627,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.999,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.793,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.4,"MP.Reference":"EPA-CCD-OPERA","MW":284.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.44","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"26533-36-8"}
{"Compound":"(9z,12z,15z)-9,12,15-octadecatrien-1-ol","CAS":"506-44-5","CAS.Checksum":true,"DTXSID":"DTXSID80880766","Formula":"C18H32O","All.Compound.Names":"(9z,12z,15z)-9,12,15-octadecatrien-1-ol|Dtxsid80880766|506-44-5","logHenry":-5.225,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.865,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.577,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.499,"logWSol.Reference":"EPA-CCD-OPERA","MP":24.49,"MP.Reference":"EPA-CCD-OPERA","MW":264.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.43","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"506-44-5"}
{"Compound":"Artemiseole","CAS":"60485-46-3","CAS.Checksum":true,"DTXSID":"DTXSID80880781","Formula":"C10H16O","All.Compound.Names":"Artemiseole|Dtxsid80880781","logHenry":-2.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.318,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.203,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.977,"logWSol.Reference":"EPA-CCD-OPERA","MP":-1.393,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"60485-46-3"}
{"Compound":"2,8-dimethyldibenzo[b,d]thiophene","CAS":"1207-15-4","CAS.Checksum":true,"DTXSID":"DTXSID80880786","Formula":"C14H12S","All.Compound.Names":"2,8-dimethyldibenzo[b,d]thiophene|Dtxsid80880786","logHenry":-4.098,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.907,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.268,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.517,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.81,"MP.Reference":"EPA-CCD-OPERA","MW":212.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1207-15-4"}
{"Compound":"Anthracene, 9,10-dihydro-9,10-dimethyl-","CAS":"22566-43-4","CAS.Checksum":true,"DTXSID":"DTXSID80880802","Formula":"C16H16","All.Compound.Names":"Anthracene, 9,10-dihydro-9,10-dimethyl-|Dtxsid80880802","logHenry":-3.546,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.991,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.385,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.554,"logWSol.Reference":"EPA-CCD-OPERA","MP":84.25,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22566-43-4"}
{"Compound":"Naphthalene, 1-heptyl-1,2,3,4-tetrahydro-4-methyl-","CAS":"55682-84-3","CAS.Checksum":true,"DTXSID":"DTXSID80880807","Formula":"C18H28","All.Compound.Names":"Naphthalene, 1-heptyl-1,2,3,4-tetrahydro-4-methyl-|Dtxsid80880807","logHenry":-3.112,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.699,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3127,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.252,"logWSol.Reference":"EPA-CCD-OPERA","MP":-8.937,"MP.Reference":"EPA-CCD-OPERA","MW":244.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55682-84-3"}
{"Compound":"(e)-4-dodecene","CAS":"7206-15-7","CAS.Checksum":true,"DTXSID":"DTXSID80880822","Formula":"C12H24","All.Compound.Names":"(e)-4-dodecene|Dtxsid80880822","logHenry":-1.18,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.864,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.09369,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.004,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.56,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7206-15-7"}
{"Compound":"Cyclooctane, 1,2-diethyl-","CAS":"23609-46-3","CAS.Checksum":true,"DTXSID":"DTXSID80880827","Formula":"C12H24","All.Compound.Names":"Cyclooctane, 1,2-diethyl-|Dtxsid80880827","logHenry":-1.19,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.698,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.00486,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.978,"logWSol.Reference":"EPA-CCD-OPERA","MP":-110.7,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"23609-46-3"}
{"Compound":"(e)-5-dodecene","CAS":"7206-16-8","CAS.Checksum":true,"DTXSID":"DTXSID80880842","Formula":"C12H24","All.Compound.Names":"(e)-5-dodecene|Dtxsid80880842","logHenry":-1.18,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.862,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.0915,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.012,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.56,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7206-16-8"}
{"Compound":"1h-indene, 2-butyl-5-hexyloctahydro-","CAS":"55044-33-2","CAS.Checksum":true,"DTXSID":"DTXSID80880847","Formula":"C19H36","All.Compound.Names":"1h-indene, 2-butyl-5-hexyloctahydro-|Dtxsid80880847","logHenry":-4.45,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.087,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3004,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.228,"logWSol.Reference":"EPA-CCD-OPERA","MP":74.15,"MP.Reference":"EPA-CCD-OPERA","MW":264.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55044-33-2"}
{"Compound":"4-hexadecen-6-yne, (e)-","CAS":"74744-51-7","CAS.Checksum":true,"DTXSID":"DTXSID80880862","Formula":"C16H28","All.Compound.Names":"4-hexadecen-6-yne, (e)-|Dtxsid80880862","logHenry":-2.908,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.054,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1767,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.224,"logWSol.Reference":"EPA-CCD-OPERA","MP":-37.95,"MP.Reference":"EPA-CCD-OPERA","MW":220.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74744-51-7"}
{"Compound":"10-heneicosene (c,t)","CAS":"95008-11-0","CAS.Checksum":true,"DTXSID":"DTXSID80880867","Formula":"C21H42","All.Compound.Names":"10-heneicosene (c,t)|Dtxsid80880867","logHenry":-5.39,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.413,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.207,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.037,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.66,"MP.Reference":"EPA-CCD-OPERA","MW":294.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"95008-11-0"}
{"Compound":"Oxazolidine, 2-ethyl-3-methyl-","CAS":"1630-75-7","CAS.Checksum":true,"DTXSID":"DTXSID80880882","Formula":"C6H13NO","All.Compound.Names":"Oxazolidine, 2-ethyl-3-methyl-|Dtxsid80880882|1630-75-7","logHenry":-5.001,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6289,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.389,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2432,"logWSol.Reference":"EPA-CCD-OPERA","MP":12.16,"MP.Reference":"EPA-CCD-OPERA","MW":115.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.56","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1630-75-7"}
{"Compound":"2,3-bis(acetyloxy)propyl (9z)-9-octadecenoate","CAS":"55401-64-4","CAS.Checksum":true,"DTXSID":"DTXSID80880887","Formula":"C25H44O6","All.Compound.Names":"2,3-bis(acetyloxy)propyl (9z)-9-octadecenoate|Dtxsid80880887","logHenry":-6.543,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.357,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.343,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.922,"logWSol.Reference":"EPA-CCD-OPERA","MP":-16.55,"MP.Reference":"EPA-CCD-OPERA","MW":440.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55401-64-4"}
{"Compound":"2-methyl-5-nonanol","CAS":"29843-62-7","CAS.Checksum":true,"DTXSID":"DTXSID80880903","Formula":"C10H22O","All.Compound.Names":"2-methyl-5-nonanol|Dtxsid80880903|29843-62-7","logHenry":-4.648,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.724,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.14,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.762,"logWSol.Reference":"EPA-CCD-OPERA","MP":-7.299,"MP.Reference":"EPA-CCD-OPERA","MW":158.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.68","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29843-62-7"}
{"Compound":"13-hexyloxacyclotridec-10-en-2-one","CAS":"127062-51-5","CAS.Checksum":true,"DTXSID":"DTXSID80880908","Formula":"C18H32O2","All.Compound.Names":"13-hexyloxacyclotridec-10-en-2-one|Dtxsid80880908","logHenry":-7.407,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.004,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.582,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.489,"logWSol.Reference":"EPA-CCD-OPERA","MP":23.86,"MP.Reference":"EPA-CCD-OPERA","MW":280.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127062-51-5"}
{"Compound":"4,7-methano-1h-indenol, hexahydro-","CAS":"3385-61-3","CAS.Checksum":true,"DTXSID":"DTXSID80880923","Formula":"C10H14O","All.Compound.Names":"4,7-methano-1h-indenol, hexahydro-|Dtxsid80880923|3385-61-3","logHenry":-6.216,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.558,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.046,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.042,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.82,"MP.Reference":"EPA-CCD-OPERA","MW":150.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.14","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3385-61-3"}
{"Compound":"1-decene, 5-methyl-","CAS":"54244-79-0","CAS.Checksum":true,"DTXSID":"DTXSID80880928","Formula":"C11H22","All.Compound.Names":"1-decene, 5-methyl-|Dtxsid80880928","logHenry":-1.169,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.666,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.058,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.965,"logWSol.Reference":"EPA-CCD-OPERA","MP":-124.4,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54244-79-0"}
{"Compound":"1-(perfluorofluorooctyl)propane-2,3-diol","CAS":"94159-84-9","CAS.Checksum":true,"DTXSID":"DTXSID80881157","Formula":"C11H7F17O2","All.Compound.Names":"1-(perfluorofluorooctyl)propane-2,3-diol|Dtxsid80881157|94159-84-9","logHenry":-10.22,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.346,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.106,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.032,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.18,"MP.Reference":"EPA-CCD-OPERA","MW":494.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.57","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"94159-84-9"}
{"Compound":"Viridiflorol","CAS":"552-02-3","CAS.Checksum":true,"DTXSID":"DTXSID80881213","Formula":"C15H26O","All.Compound.Names":"Viridiflorol|Dtxsid80881213|552-02-3","logHenry":-5.051,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.968,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.25,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.403,"logWSol.Reference":"EPA-CCD-OPERA","MP":104.9,"MP.Reference":"EPA-CCD-OPERA","MW":222.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"552-02-3"}
{"Compound":"Fenoprofen calcium","CAS":"34597-40-5","CAS.Checksum":true,"DTXSID":"DTXSID80904653","Formula":"C30H26CaO6","All.Compound.Names":"Fenoprofen calcium|Dtxsid80904653|34597-40-5","logHenry":-8.926,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.279,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.14,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.096,"logWSol.Reference":"EPA-CCD-OPERA","MP":154.1,"MP.Reference":"EPA-CCD-OPERA","MW":522.6,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.48","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"34597-40-5"}
{"Compound":"Furegrelate sodium hydrate","CAS":"87463-91-0","CAS.Checksum":true,"DTXSID":"DTXSID901017944","Formula":"C15H12NNaO4","All.Compound.Names":"Furegrelate sodium hydrate|Dtxsid901017944|87463-91-0","logHenry":-9.562,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5767,"logP.Reference":"EPA-CCD-OPERA","logPwa":10.04,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.913,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.9,"MP.Reference":"EPA-CCD-OPERA","MW":293.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.02","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"4.45","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"87463-91-0"}
{"Compound":"Alpha-muurolene","CAS":"10208-80-7","CAS.Checksum":true,"DTXSID":"DTXSID90144629","Formula":"C15H24","All.Compound.Names":"Alpha-muurolene|Dtxsid90144629","logHenry":-2.033,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.117,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.787,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.156,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.5,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10208-80-7"}
{"Compound":"2,2,5,5-tetramethylhexane","CAS":"1071-81-4","CAS.Checksum":true,"DTXSID":"DTXSID90147918","Formula":"C10H22","All.Compound.Names":"2,2,5,5-tetramethylhexane|Dtxsid90147918","logHenry":-0.5999,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.721,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8522,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.283,"logWSol.Reference":"EPA-CCD-OPERA","MP":-36.39,"MP.Reference":"EPA-CCD-OPERA","MW":142.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1071-81-4"}
{"Compound":"2-(2-(allyloxy)ethoxy)ethanol","CAS":"15075-50-0","CAS.Checksum":true,"DTXSID":"DTXSID90164605","Formula":"C7H14O3","All.Compound.Names":"2-(2-(allyloxy)ethoxy)ethanol|Dtxsid90164605|15075-50-0","logHenry":-8.403,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1635,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.85,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.8357,"logWSol.Reference":"EPA-CCD-OPERA","MP":-35.21,"MP.Reference":"EPA-CCD-OPERA","MW":146.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.66","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15075-50-0"}
{"Compound":"Spiro(2.5)octane","CAS":"185-65-9","CAS.Checksum":true,"DTXSID":"DTXSID90171692","Formula":"C8H14","All.Compound.Names":"Spiro(2.5)octane|Dtxsid90171692","logHenry":-1.598,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.189,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.961,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.53,"MP.Reference":"EPA-CCD-OPERA","MW":110.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"185-65-9"}
{"Compound":"3h,3h-perfluoro-2,4-hexanedione","CAS":"20825-07-4","CAS.Checksum":true,"DTXSID":"DTXSID90174941","Formula":"C6H2F8O2","All.Compound.Names":"3h,3h-perfluoro-2,4-hexanedione|Dtxsid90174941","logHenry":-3.901,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.06,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2656,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.607,"logWSol.Reference":"EPA-CCD-OPERA","MP":-34.68,"MP.Reference":"EPA-CCD-OPERA","MW":258.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"20825-07-4"}
{"Compound":"1-chloro-3,3-dimethylbutane","CAS":"2855-08-5","CAS.Checksum":true,"DTXSID":"DTXSID90182768","Formula":"C6H13Cl","All.Compound.Names":"1-chloro-3,3-dimethylbutane|Dtxsid90182768","logHenry":-1.618,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.783,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.0432,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.969,"logWSol.Reference":"EPA-CCD-OPERA","MP":-75.06,"MP.Reference":"EPA-CCD-OPERA","MW":120.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2855-08-5"}
{"Compound":"1-heptene, 2,6-dimethyl-","CAS":"3074-78-0","CAS.Checksum":true,"DTXSID":"DTXSID90184767","Formula":"C9H18","All.Compound.Names":"1-heptene, 2,6-dimethyl-|Dtxsid90184767","logHenry":-0.8082,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.545,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6738,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.445,"logWSol.Reference":"EPA-CCD-OPERA","MP":-122.9,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3074-78-0"}
{"Compound":"9-stearolic acid","CAS":"506-24-1","CAS.Checksum":true,"DTXSID":"DTXSID90198647","Formula":"C18H32O2","All.Compound.Names":"9-stearolic acid|Dtxsid90198647|506-24-1","logHenry":-7.199,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.994,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.199,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.292,"logWSol.Reference":"EPA-CCD-OPERA","MP":47.65,"MP.Reference":"EPA-CCD-OPERA","MW":280.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"506-24-1"}
{"Compound":"1-cyclohexyl-2-methyl-2-propanol","CAS":"5531-30-6","CAS.Checksum":true,"DTXSID":"DTXSID90203861","Formula":"C10H20O","All.Compound.Names":"1-cyclohexyl-2-methyl-2-propanol|Dtxsid90203861|5531-30-6","logHenry":-4.577,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.148,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.346,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.738,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.38,"MP.Reference":"EPA-CCD-OPERA","MW":156.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.1","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5531-30-6"}
{"Compound":"3,4-diethylbiphenyl","CAS":"61141-66-0","CAS.Checksum":true,"DTXSID":"DTXSID90210035","Formula":"C16H18","All.Compound.Names":"3,4-diethylbiphenyl|Dtxsid90210035","logHenry":-3.282,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.924,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.491,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.042,"logWSol.Reference":"EPA-CCD-OPERA","MP":42.23,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"61141-66-0"}
{"Compound":"4-ethyl-2,2,6,6-tetramethylheptane","CAS":"62108-31-0","CAS.Checksum":true,"DTXSID":"DTXSID90211168","Formula":"C13H28","All.Compound.Names":"4-ethyl-2,2,6,6-tetramethylheptane|Dtxsid90211168","logHenry":-0.8248,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.284,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2785,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.936,"logWSol.Reference":"EPA-CCD-OPERA","MP":-45.04,"MP.Reference":"EPA-CCD-OPERA","MW":184.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62108-31-0"}
{"Compound":"N-nitrosoazetidine","CAS":"15216-10-1","CAS.Checksum":true,"DTXSID":"DTXSID9021475","Formula":"C3H6N2O","All.Compound.Names":"N-nitrosoazetidine|Dtxsid9021475|15216-10-1","logHenry":-4.793,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1293,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.282,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2427,"logWSol.Reference":"EPA-CCD-OPERA","MP":62.36,"MP.Reference":"EPA-CCD-OPERA","MW":86.09,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.53","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15216-10-1"}
{"Compound":"Naphthalene, 1,2-dihydro-4-phenyl-","CAS":"7469-40-1","CAS.Checksum":true,"DTXSID":"DTXSID90225664","Formula":"C16H14","All.Compound.Names":"Naphthalene, 1,2-dihydro-4-phenyl-|Dtxsid90225664","logHenry":-4.398,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.592,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.821,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.489,"logWSol.Reference":"EPA-CCD-OPERA","MP":121.5,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7469-40-1"}
{"Compound":"Decane, trimethyl-","CAS":"98060-54-9","CAS.Checksum":true,"DTXSID":"DTXSID90243409","Formula":"C13H28","All.Compound.Names":"Decane, trimethyl-|Dtxsid90243409","logHenry":-0.8371,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.618,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.7912,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.936,"logWSol.Reference":"EPA-CCD-OPERA","MP":-82.76,"MP.Reference":"EPA-CCD-OPERA","MW":184.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"98060-54-9"}
{"Compound":"2-ethylhexyl 3-octyloxiran-2-octanoate","CAS":"141-38-8","CAS.Checksum":true,"DTXSID":"DTXSID9025247","Formula":"C26H50O3","All.Compound.Names":"2-ethylhexyl 3-octyloxiran-2-octanoate|Dtxsid9025247","logHenry":-6.216,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.422,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.291,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.081,"logWSol.Reference":"EPA-CCD-OPERA","MP":4.46,"MP.Reference":"EPA-CCD-OPERA","MW":410.7,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"141-38-8"}
{"Compound":"1-isopropyl-4-methylcyclohexane","CAS":"99-82-1","CAS.Checksum":true,"DTXSID":"DTXSID9025530","Formula":"C10H20","All.Compound.Names":"1-isopropyl-4-methylcyclohexane|Dtxsid9025530","logHenry":-1.155,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.556,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.026,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.699,"logWSol.Reference":"EPA-CCD-OPERA","MP":-82.4,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"99-82-1"}
{"Compound":"Methyl glycidyl ether","CAS":"930-37-0","CAS.Checksum":true,"DTXSID":"DTXSID9025613","Formula":"C4H8O2","All.Compound.Names":"Methyl glycidyl ether|Dtxsid9025613","logHenry":-4.483,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.2006,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.942,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":1.046,"logWSol.Reference":"EPA-CCD-OPERA","MP":-84.59,"MP.Reference":"EPA-CCD-OPERA","MW":88.11,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"930-37-0"}
{"Compound":"Streptomycin sulfate (2:3)","CAS":"3810-74-0","CAS.Checksum":true,"DTXSID":"DTXSID9026053","Formula":"C42H84N14O36S3","All.Compound.Names":"Streptomycin sulfate (2:3)|Dtxsid9026053|3810-74-0","logHenry":-10.58,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8073,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.816,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.2347,"logWSol.Reference":"EPA-CCD-OPERA","MP":145.1,"MP.Reference":"EPA-CCD-OPERA","MW":1457,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.81","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3810-74-0"}
{"Compound":"Octadecanamide","CAS":"124-26-5","CAS.Checksum":true,"DTXSID":"DTXSID9027025","Formula":"C18H37NO","All.Compound.Names":"Octadecanamide|Dtxsid9027025|124-26-5","logHenry":-7.794,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.397,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.653,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.501,"logWSol.Reference":"EPA-CCD-OPERA","MP":108.9,"MP.Reference":"EPA-CCD-OPERA","MW":283.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.09","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"124-26-5"}
{"Compound":"Diethylenetriaminepentaacetic acid pentasodium salt","CAS":"140-01-2","CAS.Checksum":true,"DTXSID":"DTXSID9027077","Formula":"C14H18N3Na5O10","All.Compound.Names":"Diethylenetriaminepentaacetic acid pentasodium salt|Dtxsid9027077|140-01-2","logHenry":-10.63,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.557,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.04,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.909,"logWSol.Reference":"EPA-CCD-OPERA","MP":194.6,"MP.Reference":"EPA-CCD-OPERA","MW":503.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.65","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"140-01-2"}
{"Compound":"2,4-dihydroxypyridine","CAS":"626-03-9","CAS.Checksum":true,"DTXSID":"DTXSID90274238","Formula":"C5H5NO2","All.Compound.Names":"2,4-dihydroxypyridine|Dtxsid90274238|626-03-9","logHenry":-7.478,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1308,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.464,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.247,"logWSol.Reference":"EPA-CCD-OPERA","MP":277.6,"MP.Reference":"EPA-CCD-OPERA","MW":111.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"12.9","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"1.47","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"626-03-9"}
{"Compound":"3h-perfluoro-4-hydroxy-3-penten-2-one","CAS":"1694-30-0","CAS.Checksum":true,"DTXSID":"DTXSID90275806","Formula":"C5H2F6O2","All.Compound.Names":"3h-perfluoro-4-hydroxy-3-penten-2-one|Dtxsid90275806","logHenry":-4.082,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.441,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.1072,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.033,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.1,"MP.Reference":"EPA-CCD-OPERA","MW":208.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1694-30-0"}
{"Compound":"Methyl perfluoroethyl ketone","CAS":"374-41-4","CAS.Checksum":true,"DTXSID":"DTXSID90285748","Formula":"C4H3F5O","All.Compound.Names":"Methyl perfluoroethyl ketone|Dtxsid90285748","logHenry":-2.089,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.695,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.08883,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.85,"logWSol.Reference":"EPA-CCD-OPERA","MP":-63.14,"MP.Reference":"EPA-CCD-OPERA","MW":162.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"374-41-4"}
{"Compound":"Pentyl 2-hydroxybenzoate","CAS":"2050-08-0","CAS.Checksum":true,"DTXSID":"DTXSID9029227","Formula":"C12H16O3","All.Compound.Names":"Pentyl 2-hydroxybenzoate|Dtxsid9029227|2050-08-0","logHenry":-8.239,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.184,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.569,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.077,"logWSol.Reference":"EPA-CCD-OPERA","MP":23.28,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.69","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2050-08-0"}
{"Compound":"Bromamine acid sodium salt","CAS":"6258-06-6","CAS.Checksum":true,"DTXSID":"DTXSID9029277","Formula":"C14H7BrNNaO5S","All.Compound.Names":"Bromamine acid sodium salt|Dtxsid9029277|6258-06-6","logHenry":-11.03,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.713,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.767,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.649,"logWSol.Reference":"EPA-CCD-OPERA","MP":222.1,"MP.Reference":"EPA-CCD-OPERA","MW":404.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.33","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6258-06-6"}
{"Compound":"1,1-bis(4-methoxyphenyl)ethylene","CAS":"4356-69-8","CAS.Checksum":true,"DTXSID":"DTXSID90311733","Formula":"C16H16O2","All.Compound.Names":"1,1-bis(4-methoxyphenyl)ethylene|Dtxsid90311733","logHenry":-7.718,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.925,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.283,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.979,"logWSol.Reference":"EPA-CCD-OPERA","MP":135.6,"MP.Reference":"EPA-CCD-OPERA","MW":240.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4356-69-8"}
{"Compound":"Perfluoro-1-octanesulfonyl chloride","CAS":"423-60-9","CAS.Checksum":true,"DTXSID":"DTXSID90315130","Formula":"C8ClF17O2S","All.Compound.Names":"Perfluoro-1-octanesulfonyl chloride|Dtxsid90315130","logHenry":-5.245,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.319,"logP.Reference":"EPA-CCD-OPERA","logPwa":-3.361,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.668,"logWSol.Reference":"EPA-CCD-OPERA","MP":38.28,"MP.Reference":"EPA-CCD-OPERA","MW":518.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"423-60-9"}
{"Compound":"9-octadecanone","CAS":"18394-00-8","CAS.Checksum":true,"DTXSID":"DTXSID90334068","Formula":"C18H36O","All.Compound.Names":"9-octadecanone|Dtxsid90334068","logHenry":-6.283,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.678,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.32,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.381,"logWSol.Reference":"EPA-CCD-OPERA","MP":54.93,"MP.Reference":"EPA-CCD-OPERA","MW":268.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18394-00-8"}
{"Compound":"2-ethyl-3-hydroxyhexyl 2-methylpropanoate","CAS":"74367-31-0","CAS.Checksum":true,"DTXSID":"DTXSID90334987","Formula":"C12H24O3","All.Compound.Names":"2-ethyl-3-hydroxyhexyl 2-methylpropanoate|Dtxsid90334987|74367-31-0","logHenry":-8.381,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.415,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.075,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.095,"logWSol.Reference":"EPA-CCD-OPERA","MP":-16.27,"MP.Reference":"EPA-CCD-OPERA","MW":216.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.97","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74367-31-0"}
{"Compound":"Decyl 2-chloropropanoate","CAS":"86711-78-6","CAS.Checksum":true,"DTXSID":"DTXSID90335090","Formula":"C13H25ClO2","All.Compound.Names":"Decyl 2-chloropropanoate|Dtxsid90335090","logHenry":-5.107,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.75,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.668,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.526,"logWSol.Reference":"EPA-CCD-OPERA","MP":-65.31,"MP.Reference":"EPA-CCD-OPERA","MW":248.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"86711-78-6"}
{"Compound":"1-methyl-2-(3-methylpentyl)cyclopropane","CAS":"62238-07-7","CAS.Checksum":true,"DTXSID":"DTXSID90335333","Formula":"C10H20","All.Compound.Names":"1-methyl-2-(3-methylpentyl)cyclopropane|Dtxsid90335333","logHenry":-1.16,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.156,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6257,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.685,"logWSol.Reference":"EPA-CCD-OPERA","MP":-128.3,"MP.Reference":"EPA-CCD-OPERA","MW":140.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62238-07-7"}
{"Compound":"1-(1-methylcyclohexyl)ethanone","CAS":"2890-62-2","CAS.Checksum":true,"DTXSID":"DTXSID90337716","Formula":"C9H16O","All.Compound.Names":"1-(1-methylcyclohexyl)ethanone|Dtxsid90337716","logHenry":-4.095,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.786,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.659,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.903,"logWSol.Reference":"EPA-CCD-OPERA","MP":19.14,"MP.Reference":"EPA-CCD-OPERA","MW":140.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2890-62-2"}
{"Compound":"8-methyl-1,8-nonanediol","CAS":"54725-73-4","CAS.Checksum":true,"DTXSID":"DTXSID90338228","Formula":"C10H22O2","All.Compound.Names":"8-methyl-1,8-nonanediol|Dtxsid90338228|54725-73-4","logHenry":-5.391,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.879,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.961,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.381,"logWSol.Reference":"EPA-CCD-OPERA","MP":7.057,"MP.Reference":"EPA-CCD-OPERA","MW":174.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"54725-73-4"}
{"Compound":"Nonane, 2-methyl-3-methylene-","CAS":"55499-08-6","CAS.Checksum":true,"DTXSID":"DTXSID90338581","Formula":"C11H22","All.Compound.Names":"Nonane, 2-methyl-3-methylene-|Dtxsid90338581","logHenry":-1.44,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.281,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6887,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.411,"logWSol.Reference":"EPA-CCD-OPERA","MP":-96.04,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55499-08-6"}
{"Compound":"1-(5-hexenyl)-2-iodocyclopropane","CAS":"74685-40-8","CAS.Checksum":true,"DTXSID":"DTXSID90339538","Formula":"C9H15I","All.Compound.Names":"1-(5-hexenyl)-2-iodocyclopropane|Dtxsid90339538","logHenry":-2.104,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.222,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.629,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.391,"logWSol.Reference":"EPA-CCD-OPERA","MP":-87.65,"MP.Reference":"EPA-CCD-OPERA","MW":250.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74685-40-8"}
{"Compound":"4,8,12,16-tetramethylheptadecan-4-olide","CAS":"96168-15-9","CAS.Checksum":true,"DTXSID":"DTXSID90340760","Formula":"C21H40O2","All.Compound.Names":"4,8,12,16-tetramethylheptadecan-4-olide|Dtxsid90340760","logHenry":-6.623,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.956,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.9396,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.691,"logWSol.Reference":"EPA-CCD-OPERA","MP":20.07,"MP.Reference":"EPA-CCD-OPERA","MW":324.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96168-15-9"}
{"Compound":"Prohexadione-calcium","CAS":"127277-53-6","CAS.Checksum":true,"DTXSID":"DTXSID9034496","Formula":"C20H20Ca2O10","All.Compound.Names":"Prohexadione-calcium|Dtxsid9034496|127277-53-6","logHenry":-9.73,"logHenry.Reference":"OPERA29","logP":-2.89,"logP.Reference":"OPERA29","logWSol":-2.43,"logWSol.Reference":"OPERA29","MP":360,"MP.Reference":"OPERA29","MW":500.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127277-53-6"}
{"Compound":"(z)-8-dodecen-1-ol acetate","CAS":"28079-04-1","CAS.Checksum":true,"DTXSID":"DTXSID9035543","Formula":"C14H26O2","All.Compound.Names":"(z)-8-dodecen-1-ol acetate|Dtxsid9035543","logHenry":-5.112,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.389,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.865,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.962,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.4,"MP.Reference":"EPA-CCD-OPERA","MW":226.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28079-04-1"}
{"Compound":"1,8-divinylperfluorooctane","CAS":"35192-44-0","CAS.Checksum":true,"DTXSID":"DTXSID90371872","Formula":"C12H6F16","All.Compound.Names":"1,8-divinylperfluorooctane|Dtxsid90371872","logHenry":-3.382,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.928,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.04,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.001,"logWSol.Reference":"EPA-CCD-OPERA","MP":3.292,"MP.Reference":"EPA-CCD-OPERA","MW":454.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"35192-44-0"}
{"Compound":"3-(perfluoroheptyl)propanoic acid","CAS":"812-70-4","CAS.Checksum":true,"DTXSID":"DTXSID90382620","Formula":"C10H5F15O2","All.Compound.Names":"3-(perfluoroheptyl)propanoic acid|Dtxsid90382620|812-70-4","logHenry":-9.737,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.438,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3403,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.521,"logWSol.Reference":"EPA-CCD-OPERA","MP":63.18,"MP.Reference":"EPA-CCD-OPERA","MW":442.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"3.36","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"812-70-4"}
{"Compound":"L-arabinose","CAS":"5328-37-0","CAS.Checksum":true,"DTXSID":"DTXSID9039733","Formula":"C5H10O5","All.Compound.Names":"L-arabinose|Dtxsid9039733|5328-37-0","logHenry":-8.582,"logHenry.Reference":"EPA-CCD-OPERA","logP":-2.357,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.534,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.4911,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.68,"MP.Reference":"EPA-CCD-OPERA","MW":150.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.35","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5328-37-0"}
{"Compound":"{4-[({2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid","CAS":"317318-84-6","CAS.Checksum":true,"DTXSID":"DTXSID9040760","Formula":"C21H17F4NO3S2","All.Compound.Names":"{4-[({2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid|Dtxsid9040760|317318-84-6","logHenry":-8.051,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.206,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.103,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.623,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.6,"MP.Reference":"EPA-CCD-OPERA","MW":471.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.51","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"317318-84-6"}
{"Compound":"2-phenylhexane","CAS":"6031-02-3","CAS.Checksum":true,"DTXSID":"DTXSID9041447","Formula":"C12H18","All.Compound.Names":"2-phenylhexane|Dtxsid9041447","logHenry":-1.906,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.48,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.2823,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.835,"logWSol.Reference":"EPA-CCD-OPERA","MP":-55.65,"MP.Reference":"EPA-CCD-OPERA","MW":162.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"6031-02-3"}
{"Compound":"Methyl chloroacetate","CAS":"96-34-4","CAS.Checksum":true,"DTXSID":"DTXSID9041576","Formula":"C3H5ClO2","All.Compound.Names":"Methyl chloroacetate|Dtxsid9041576","logHenry":-3.79,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.1523,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.972,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.3719,"logWSol.Reference":"EPA-CCD-OPERA","MP":-35.57,"MP.Reference":"EPA-CCD-OPERA","MW":108.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"96-34-4"}
{"Compound":"Trifluoroacetic acid","CAS":"76-05-1","CAS.Checksum":true,"DTXSID":"DTXSID9041578","Formula":"C2HF3O2","All.Compound.Names":"Trifluoroacetic acid|Dtxsid9041578|76-05-1","logHenry":-6.954,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.6499,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.83,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.9417,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.43,"MP.Reference":"EPA-CCD-OPERA","MW":114,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.72","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76-05-1"}
{"Compound":"Lenacil","CAS":"2164-08-1","CAS.Checksum":true,"DTXSID":"DTXSID9042093","Formula":"C13H18N2O2","All.Compound.Names":"Lenacil|Dtxsid9042093|2164-08-1","logHenry":-5.275,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.233,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.948,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.585,"logWSol.Reference":"EPA-CCD-OPERA","MP":315.7,"MP.Reference":"EPA-CCD-OPERA","MW":234.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2164-08-1"}
{"Compound":"3-ethyldibenzothiophene","CAS":"89816-98-8","CAS.Checksum":true,"DTXSID":"DTXSID90423840","Formula":"C14H12S","All.Compound.Names":"3-ethyldibenzothiophene|Dtxsid90423840","logHenry":-4.467,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.946,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.194,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.561,"logWSol.Reference":"EPA-CCD-OPERA","MP":45.74,"MP.Reference":"EPA-CCD-OPERA","MW":212.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"89816-98-8"}
{"Compound":"Tetrakis(trimethylsiloxy)silane","CAS":"3555-47-3","CAS.Checksum":true,"DTXSID":"DTXSID9042463","Formula":"C12H36O4Si5","All.Compound.Names":"Tetrakis(trimethylsiloxy)silane|Dtxsid9042463","logHenry":0.9824,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.81,"logP.Reference":"EPA-CCD-OPERA","logPwa":-2.637,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.415,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.6,"MP.Reference":"EPA-CCD-OPERA","MW":384.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3555-47-3"}
{"Compound":"C.i. fluorescent brightener 28, disodium salt","CAS":"4193-55-9","CAS.Checksum":true,"DTXSID":"DTXSID9044669","Formula":"C40H42N12Na2O10S2","All.Compound.Names":"C.i. fluorescent brightener 28, disodium salt|Dtxsid9044669|4193-55-9","logHenry":-10.23,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.755,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.865,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.433,"logWSol.Reference":"EPA-CCD-OPERA","MP":162,"MP.Reference":"EPA-CCD-OPERA","MW":961,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"6.4","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4193-55-9"}
{"Compound":"Heneicosane","CAS":"629-94-7","CAS.Checksum":true,"DTXSID":"DTXSID9047097","Formula":"C21H44","All.Compound.Names":"Heneicosane|Dtxsid9047097","logHenry":-5.785,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.44,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.05779,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.01,"logWSol.Reference":"EPA-CCD-OPERA","MP":40.54,"MP.Reference":"EPA-CCD-OPERA","MW":296.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"629-94-7"}
{"Compound":"Nonadecane","CAS":"629-92-5","CAS.Checksum":true,"DTXSID":"DTXSID9047170","Formula":"C19H40","All.Compound.Names":"Nonadecane|Dtxsid9047170","logHenry":-5.26,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2768,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.17,"logWSol.Reference":"EPA-CCD-OPERA","MP":32.19,"MP.Reference":"EPA-CCD-OPERA","MW":268.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"629-92-5"}
{"Compound":"Octadecane","CAS":"593-45-3","CAS.Checksum":true,"DTXSID":"DTXSID9047172","Formula":"C18H38","All.Compound.Names":"Octadecane|Dtxsid9047172","logHenry":-4.469,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.302,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.631,"logWSol.Reference":"EPA-CCD-OPERA","MP":28.1,"MP.Reference":"EPA-CCD-OPERA","MW":254.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"593-45-3"}
{"Compound":"Delta-dodecalactone","CAS":"713-95-1","CAS.Checksum":true,"DTXSID":"DTXSID9047596","Formula":"C12H22O2","All.Compound.Names":"Delta-dodecalactone|Dtxsid9047596","logHenry":-6.648,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.53,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.727,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.092,"logWSol.Reference":"EPA-CCD-OPERA","MP":-11.88,"MP.Reference":"EPA-CCD-OPERA","MW":198.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"713-95-1"}
{"Compound":"2,6-diisopropylphenyl isocyanate","CAS":"28178-42-9","CAS.Checksum":true,"DTXSID":"DTXSID9051959","Formula":"C13H17NO","All.Compound.Names":"2,6-diisopropylphenyl isocyanate|Dtxsid9051959|28178-42-9","logHenry":-3.832,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.307,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.518,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.717,"logWSol.Reference":"EPA-CCD-OPERA","MP":18.9,"MP.Reference":"EPA-CCD-OPERA","MW":203.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"2.18","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"9.99","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"28178-42-9"}
{"Compound":"6-diazo-5,6-dihydro-5-oxonaphthalene-2-sulphonyl chloride","CAS":"3770-97-6","CAS.Checksum":true,"DTXSID":"DTXSID9052052","Formula":"C10H5ClN2O3S","All.Compound.Names":"6-diazo-5,6-dihydro-5-oxonaphthalene-2-sulphonyl chloride|Dtxsid9052052|6-diazo-5,6-dihydro-5-oxo-1-naphthalenesulfonyl chloride|3770-97-6","logHenry":-5.75,"logHenry.Reference":"OPERA29","logP":0.3,"logP.Reference":"OPERA29","logWSol":-1.79,"logWSol.Reference":"OPERA29","MP":136,"MP.Reference":"OPERA29","MW":268.7,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.78","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3770-97-6"}
{"Compound":"3,7-dimethylocta-1,3,7-triene","CAS":"502-99-8","CAS.Checksum":true,"DTXSID":"DTXSID9052135","Formula":"C10H16","All.Compound.Names":"3,7-dimethylocta-1,3,7-triene|Dtxsid9052135","logHenry":-1.434,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.193,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3305,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.585,"logWSol.Reference":"EPA-CCD-OPERA","MP":-62.16,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"502-99-8"}
{"Compound":"(1r,4s,4as,6r,8as)-4,8a,9,9-tetramethyloctahydro-1,6-methanonaphthalen-1(2h)-ol","CAS":"5986-55-0","CAS.Checksum":true,"DTXSID":"DTXSID9052266","Formula":"C15H26O","All.Compound.Names":"(1r,4s,4as,6r,8as)-4,8a,9,9-tetramethyloctahydro-1,6-methanonaphthalen-1(2h)-ol|Dtxsid9052266|5986-55-0","logHenry":-5.063,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.837,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.394,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.696,"logWSol.Reference":"EPA-CCD-OPERA","MP":56.07,"MP.Reference":"EPA-CCD-OPERA","MW":222.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.24","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5986-55-0"}
{"Compound":"4-[(diphenylhydrazinylidene)methyl]-n,n-diethylaniline","CAS":"68189-23-1","CAS.Checksum":true,"DTXSID":"DTXSID9052399","Formula":"C23H25N3","All.Compound.Names":"4-[(diphenylhydrazinylidene)methyl]-n,n-diethylaniline|Dtxsid9052399|68189-23-1","logHenry":-5.972,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.33,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.93,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.698,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.57,"MP.Reference":"EPA-CCD-OPERA","MW":343.5,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"5.91","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"68189-23-1"}
{"Compound":"Guanine","CAS":"73-40-5","CAS.Checksum":true,"DTXSID":"DTXSID9052476","Formula":"C5H5N5O","All.Compound.Names":"Guanine|Dtxsid9052476|73-40-5","logHenry":-8.711,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9094,"logP.Reference":"EPA-CCD-OPERA","logPwa":9.228,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.426,"logWSol.Reference":"EPA-CCD-OPERA","MP":253,"MP.Reference":"EPA-CCD-OPERA","MW":151.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"9.12","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"73-40-5"}
{"Compound":"2-ethylhexyl 2-ethylhexanoate","CAS":"7425-14-1","CAS.Checksum":true,"DTXSID":"DTXSID9052478","Formula":"C16H32O2","All.Compound.Names":"2-ethylhexyl 2-ethylhexanoate|Dtxsid9052478","logHenry":-4.684,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.281,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.088,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.8,"logWSol.Reference":"EPA-CCD-OPERA","MP":-0.5435,"MP.Reference":"EPA-CCD-OPERA","MW":256.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"7425-14-1"}
{"Compound":"Pigment violet 29","CAS":"81-33-4","CAS.Checksum":true,"DTXSID":"DTXSID9052555","Formula":"C24H10N2O4","All.Compound.Names":"Pigment violet 29|Dtxsid9052555|81-33-4","logHenry":-8.951,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.176,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.546,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.514,"logWSol.Reference":"EPA-CCD-OPERA","MP":240.1,"MP.Reference":"EPA-CCD-OPERA","MW":390.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.71","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"81-33-4"}
{"Compound":"3,6-dimethylphenanthrene","CAS":"1576-67-6","CAS.Checksum":true,"DTXSID":"DTXSID9052682","Formula":"C16H14","All.Compound.Names":"3,6-dimethylphenanthrene|Dtxsid9052682","logHenry":-4.485,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.199,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.672,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.495,"logWSol.Reference":"EPA-CCD-OPERA","MP":156.9,"MP.Reference":"EPA-CCD-OPERA","MW":206.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1576-67-6"}
{"Compound":"Tritosulfuron","CAS":"142469-14-5","CAS.Checksum":true,"DTXSID":"DTXSID9057975","Formula":"C13H9F6N5O4S","All.Compound.Names":"Tritosulfuron|Dtxsid9057975|142469-14-5","logHenry":-10.92,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.568,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.556,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.749,"logWSol.Reference":"EPA-CCD-OPERA","MP":187.3,"MP.Reference":"EPA-CCD-OPERA","MW":445.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"4.59","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"142469-14-5"}
{"Compound":"1h,1h,7h-dodecafluoro-1-heptanol","CAS":"335-99-9","CAS.Checksum":true,"DTXSID":"DTXSID9059832","Formula":"C7H4F12O","All.Compound.Names":"1h,1h,7h-dodecafluoro-1-heptanol|Dtxsid9059832|335-99-9","logHenry":-9.556,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.459,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.631,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.212,"logWSol.Reference":"EPA-CCD-OPERA","MP":16.68,"MP.Reference":"EPA-CCD-OPERA","MW":332.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.08","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"335-99-9"}
{"Compound":"Perfluamine","CAS":"338-83-0","CAS.Checksum":true,"DTXSID":"DTXSID9059834","Formula":"C9F21N","All.Compound.Names":"Perfluamine|Dtxsid9059834|338-83-0","logHenry":-3.049,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.605,"logP.Reference":"EPA-CCD-OPERA","logPwa":-3.037,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.629,"logWSol.Reference":"EPA-CCD-OPERA","MP":-51.97,"MP.Reference":"EPA-CCD-OPERA","MW":521.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"5.91","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"338-83-0"}
{"Compound":"1-bromopentadecafluoroheptane","CAS":"375-88-2","CAS.Checksum":true,"DTXSID":"DTXSID9059919","Formula":"C7BrF15","All.Compound.Names":"1-bromopentadecafluoroheptane|Dtxsid9059919","logHenry":-1.907,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.361,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.663,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.955,"logWSol.Reference":"EPA-CCD-OPERA","MP":-21.84,"MP.Reference":"EPA-CCD-OPERA","MW":449,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"375-88-2"}
{"Compound":"Isodecyl octyl phthalate","CAS":"1330-96-7","CAS.Checksum":true,"DTXSID":"DTXSID9061675","Formula":"C26H42O4","All.Compound.Names":"Isodecyl octyl phthalate|Dtxsid9061675","logHenry":-6.859,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.732,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.965,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.783,"logWSol.Reference":"EPA-CCD-OPERA","MP":94.84,"MP.Reference":"EPA-CCD-OPERA","MW":418.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1330-96-7"}
{"Compound":"[2.2]paracyclophane","CAS":"1633-22-3","CAS.Checksum":true,"DTXSID":"DTXSID9061835","Formula":"C16H16","All.Compound.Names":"[2.2]paracyclophane|Dtxsid9061835","logHenry":-3.83,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.333,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.079,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.567,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.54,"MP.Reference":"EPA-CCD-OPERA","MW":208.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1633-22-3"}
{"Compound":"1-iodo-1h,1h,2h,2h-perfluoroheptane","CAS":"1682-31-1","CAS.Checksum":true,"DTXSID":"DTXSID9061881","Formula":"C7H4F11I","All.Compound.Names":"1-iodo-1h,1h,2h,2h-perfluoroheptane|Dtxsid9061881","logHenry":-2.427,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.453,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.554,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.281,"logWSol.Reference":"EPA-CCD-OPERA","MP":8.09,"MP.Reference":"EPA-CCD-OPERA","MW":424,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"1682-31-1"}
{"Compound":"2-undecenal","CAS":"2463-77-6","CAS.Checksum":true,"DTXSID":"DTXSID9062437","Formula":"C11H20O","All.Compound.Names":"2-undecenal|Dtxsid9062437","logHenry":-3.192,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.042,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.787,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.042,"logWSol.Reference":"EPA-CCD-OPERA","MP":1.358,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2463-77-6"}
{"Compound":"2-mercaptopyridine","CAS":"2637-34-5","CAS.Checksum":true,"DTXSID":"DTXSID9062568","Formula":"C5H5NS","All.Compound.Names":"2-mercaptopyridine|Dtxsid9062568|2637-34-5","logHenry":-6.077,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.1253,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.617,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.9618,"logWSol.Reference":"EPA-CCD-OPERA","MP":128.9,"MP.Reference":"EPA-CCD-OPERA","MW":111.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"7.01","pKa_Accept.Reference":"OPERAv2.9","pKa_Donor":"0.17","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2637-34-5"}
{"Compound":"Allyl octanoate","CAS":"4230-97-1","CAS.Checksum":true,"DTXSID":"DTXSID9063370","Formula":"C11H20O2","All.Compound.Names":"Allyl octanoate|Dtxsid9063370","logHenry":-3.721,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.118,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.74,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.682,"logWSol.Reference":"EPA-CCD-OPERA","MP":-59.75,"MP.Reference":"EPA-CCD-OPERA","MW":184.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4230-97-1"}
{"Compound":"Cyclooctanamine","CAS":"5452-37-9","CAS.Checksum":true,"DTXSID":"DTXSID9063900","Formula":"C8H17N","All.Compound.Names":"Cyclooctanamine|Dtxsid9063900|5452-37-9","logHenry":-4.584,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.745,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.477,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.977,"logWSol.Reference":"EPA-CCD-OPERA","MP":-47.87,"MP.Reference":"EPA-CCD-OPERA","MW":127.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.67","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5452-37-9"}
{"Compound":"Benzeneacetic acid, .alpha.-oxo-, methyl ester","CAS":"15206-55-0","CAS.Checksum":true,"DTXSID":"DTXSID9065867","Formula":"C9H8O3","All.Compound.Names":"Benzeneacetic acid, .alpha.-oxo-, methyl ester|Dtxsid9065867","logHenry":-6.304,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.751,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.809,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.855,"logWSol.Reference":"EPA-CCD-OPERA","MP":57.51,"MP.Reference":"EPA-CCD-OPERA","MW":164.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15206-55-0"}
{"Compound":"1-iodotetradecane","CAS":"19218-94-1","CAS.Checksum":true,"DTXSID":"DTXSID9066465","Formula":"C14H29I","All.Compound.Names":"1-iodotetradecane|Dtxsid9066465","logHenry":-2.885,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.019,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3965,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.007,"logWSol.Reference":"EPA-CCD-OPERA","MP":15.92,"MP.Reference":"EPA-CCD-OPERA","MW":324.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19218-94-1"}
{"Compound":"9-octadecenoic acid (9z)-, hexyl ester","CAS":"20290-84-0","CAS.Checksum":true,"DTXSID":"DTXSID9066590","Formula":"C24H46O2","All.Compound.Names":"9-octadecenoic acid (9z)-, hexyl ester|Dtxsid9066590","logHenry":-6.647,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.406,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.115,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.061,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.956,"MP.Reference":"EPA-CCD-OPERA","MW":366.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"20290-84-0"}
{"Compound":"2-nonen-1-ol","CAS":"22104-79-6","CAS.Checksum":true,"DTXSID":"DTXSID9066758","Formula":"C9H18O","All.Compound.Names":"2-nonen-1-ol|Dtxsid9066758|22104-79-6","logHenry":-4.614,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.13,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.465,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.548,"logWSol.Reference":"EPA-CCD-OPERA","MP":-18.89,"MP.Reference":"EPA-CCD-OPERA","MW":142.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.15","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"22104-79-6"}
{"Compound":"2,2,3,3-tetramethylbutane","CAS":"594-82-1","CAS.Checksum":true,"DTXSID":"DTXSID9073204","Formula":"C8H18","All.Compound.Names":"2,2,3,3-tetramethylbutane|Dtxsid9073204","logHenry":-0.4043,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.244,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1541,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.91,"logWSol.Reference":"EPA-CCD-OPERA","MP":88.71,"MP.Reference":"EPA-CCD-OPERA","MW":114.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"594-82-1"}
{"Compound":"9-octadecenal","CAS":"5090-41-5","CAS.Checksum":true,"DTXSID":"DTXSID9074305","Formula":"C18H34O","All.Compound.Names":"9-octadecenal|Dtxsid9074305","logHenry":-6.361,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.303,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.561,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.585,"logWSol.Reference":"EPA-CCD-OPERA","MP":26.21,"MP.Reference":"EPA-CCD-OPERA","MW":266.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5090-41-5"}
{"Compound":"1,1'-biphenyl, 3,3',4,4'-tetramethyl-","CAS":"4920-95-0","CAS.Checksum":true,"DTXSID":"DTXSID9074646","Formula":"C16H18","All.Compound.Names":"1,1'-biphenyl, 3,3',4,4'-tetramethyl-|Dtxsid9074646","logHenry":-3.281,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.205,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.878,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.107,"logWSol.Reference":"EPA-CCD-OPERA","MP":41.25,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4920-95-0"}
{"Compound":"Octane, 2,2-dimethyl-","CAS":"15869-87-1","CAS.Checksum":true,"DTXSID":"DTXSID9074696","Formula":"C10H22","All.Compound.Names":"Octane, 2,2-dimethyl-|Dtxsid9074696","logHenry":-0.7905,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.321,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.7964,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.186,"logWSol.Reference":"EPA-CCD-OPERA","MP":-82.68,"MP.Reference":"EPA-CCD-OPERA","MW":142.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15869-87-1"}
{"Compound":"Benzoic acid--hex-2-en-1-ol (1/1)","CAS":"76841-70-8","CAS.Checksum":true,"DTXSID":"DTXSID90824338","Formula":"C13H18O3","All.Compound.Names":"Benzoic acid--hex-2-en-1-ol (1/1)|76841-70-8","logHenry":-4.75,"logHenry.Reference":"OPERA29","logP":1.34,"logP.Reference":"OPERA29","logWSol":-1.64,"logWSol.Reference":"OPERA29","MP":-27,"MP.Reference":"OPERA29","MW":222.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"76841-70-8"}
{"Compound":"(+)-longicyclene","CAS":"1137-12-8","CAS.Checksum":true,"DTXSID":"DTXSID90858739","Formula":"C15H24","All.Compound.Names":"(+)-longicyclene|Dtxsid90858739","logHenry":-2.266,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.016,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.315,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.422,"logWSol.Reference":"EPA-CCD-OPERA","MP":73.6,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1137-12-8"}
{"Compound":"1-pentanol, 2-ethyl-4-methyl-","CAS":"106-67-2","CAS.Checksum":true,"DTXSID":"DTXSID90861723","Formula":"C8H18O","All.Compound.Names":"1-pentanol, 2-ethyl-4-methyl-|Dtxsid90861723|106-67-2","logHenry":-4.451,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.904,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.086,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.095,"logWSol.Reference":"EPA-CCD-OPERA","MP":-54.97,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.89","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"106-67-2"}
{"Compound":"1,2-cyclohexanediol, 1-methyl-4-(1-methylethenyl)-","CAS":"1946-00-5","CAS.Checksum":true,"DTXSID":"DTXSID90862795","Formula":"C10H18O2","All.Compound.Names":"1,2-cyclohexanediol, 1-methyl-4-(1-methylethenyl)-|Dtxsid90862795|1946-00-5","logHenry":-6.505,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.373,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.471,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.456,"logWSol.Reference":"EPA-CCD-OPERA","MP":159.5,"MP.Reference":"EPA-CCD-OPERA","MW":170.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"10.39","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1946-00-5"}
{"Compound":"4-methyloctane","CAS":"2216-34-4","CAS.Checksum":true,"DTXSID":"DTXSID90862876","Formula":"C9H20","All.Compound.Names":"4-methyloctane|Dtxsid90862876","logHenry":-0.5952,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.282,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.443,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.04,"logWSol.Reference":"EPA-CCD-OPERA","MP":-103.9,"MP.Reference":"EPA-CCD-OPERA","MW":128.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2216-34-4"}
{"Compound":"2-hexylcyclopentanone","CAS":"13074-65-2","CAS.Checksum":true,"DTXSID":"DTXSID90864355","Formula":"C11H20O","All.Compound.Names":"2-hexylcyclopentanone|Dtxsid90864355","logHenry":-3.638,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.774,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.947,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.912,"logWSol.Reference":"EPA-CCD-OPERA","MP":11.53,"MP.Reference":"EPA-CCD-OPERA","MW":168.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13074-65-2"}
{"Compound":"2,6-dimethyl-6-(4-methyl-3-penten-1-yl)bicyclo[3.1.1]hept-2-ene","CAS":"17699-05-7","CAS.Checksum":true,"DTXSID":"DTXSID90864411","Formula":"C15H24","All.Compound.Names":"2,6-dimethyl-6-(4-methyl-3-penten-1-yl)bicyclo[3.1.1]hept-2-ene|Dtxsid90864411","logHenry":-2.326,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.117,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.776,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.916,"logWSol.Reference":"EPA-CCD-OPERA","MP":-12.14,"MP.Reference":"EPA-CCD-OPERA","MW":204.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"17699-05-7"}
{"Compound":"2,4-dimethyl-1-heptene","CAS":"19549-87-2","CAS.Checksum":true,"DTXSID":"DTXSID90864895","Formula":"C9H18","All.Compound.Names":"2,4-dimethyl-1-heptene|Dtxsid90864895","logHenry":-0.8062,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.759,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8878,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.446,"logWSol.Reference":"EPA-CCD-OPERA","MP":-122.9,"MP.Reference":"EPA-CCD-OPERA","MW":126.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"19549-87-2"}
{"Compound":"Octanoic acid, 2-ethylhexyl ester","CAS":"63321-70-0","CAS.Checksum":true,"DTXSID":"DTXSID90867003","Formula":"C16H32O2","All.Compound.Names":"Octanoic acid, 2-ethylhexyl ester|Dtxsid90867003","logHenry":-5.223,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.524,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.025,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.942,"logWSol.Reference":"EPA-CCD-OPERA","MP":-5.443,"MP.Reference":"EPA-CCD-OPERA","MW":256.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"63321-70-0"}
{"Compound":"Perfluorotridecanoic acid","CAS":"72629-94-8","CAS.Checksum":true,"DTXSID":"DTXSID90868151","Formula":"C13HF25O2","All.Compound.Names":"Perfluorotridecanoic acid|Dtxsid90868151|72629-94-8","logHenry":-9.459,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.352,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.3888,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.368,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.6,"MP.Reference":"EPA-CCD-OPERA","MW":664.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"0.54","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"72629-94-8"}
{"Compound":"Cyclohexane, 1-methyl-4-(1-methylethylidene)-","CAS":"1124-27-2","CAS.Checksum":true,"DTXSID":"DTXSID90870850","Formula":"C10H18","All.Compound.Names":"Cyclohexane, 1-methyl-4-(1-methylethylidene)-|Dtxsid90870850","logHenry":-1.433,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.418,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.01397,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.452,"logWSol.Reference":"EPA-CCD-OPERA","MP":-97.99,"MP.Reference":"EPA-CCD-OPERA","MW":138.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1124-27-2"}
{"Compound":"3,5-dimethyloctane","CAS":"15869-93-9","CAS.Checksum":true,"DTXSID":"DTXSID90871246","Formula":"C10H22","All.Compound.Names":"3,5-dimethyloctane|Dtxsid90871246","logHenry":-0.7857,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.385,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.8771,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.65,"logWSol.Reference":"EPA-CCD-OPERA","MP":-57.98,"MP.Reference":"EPA-CCD-OPERA","MW":142.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"15869-93-9"}
{"Compound":"Bicyclo[2.2.1]heptane, 2-chloro-","CAS":"29342-53-8","CAS.Checksum":true,"DTXSID":"DTXSID90871362","Formula":"C7H11Cl","All.Compound.Names":"Bicyclo[2.2.1]heptane, 2-chloro-|Dtxsid90871362","logHenry":-3.335,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.351,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5998,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.535,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.886,"MP.Reference":"EPA-CCD-OPERA","MW":130.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29342-53-8"}
{"Compound":"3-methyl-2-heptanol","CAS":"31367-46-1","CAS.Checksum":true,"DTXSID":"DTXSID90871367","Formula":"C8H18O","All.Compound.Names":"3-methyl-2-heptanol|Dtxsid90871367|31367-46-1","logHenry":-4.425,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.911,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.079,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.89,"logWSol.Reference":"EPA-CCD-OPERA","MP":-67.73,"MP.Reference":"EPA-CCD-OPERA","MW":130.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.87","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31367-46-1"}
{"Compound":"4-cyano-1,2,3,4-tetrahydro-1-naphthaleneacetonitrile","CAS":"57964-40-6","CAS.Checksum":true,"DTXSID":"DTXSID90872319","Formula":"C14H14N2","All.Compound.Names":"4-cyano-1,2,3,4-tetrahydro-1-naphthaleneacetonitrile|Dtxsid90872319","logHenry":-5.18,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.034,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.379,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.803,"logWSol.Reference":"EPA-CCD-OPERA","MP":126.7,"MP.Reference":"EPA-CCD-OPERA","MW":210.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"57964-40-6"}
{"Compound":"1-(butan-2-yl)-2,4-dimethylbenzene","CAS":"1483-60-9","CAS.Checksum":true,"DTXSID":"DTXSID90873043","Formula":"C12H18","All.Compound.Names":"1-(butan-2-yl)-2,4-dimethylbenzene","logHenry":-1.81,"logHenry.Reference":"OPERA29","logP":4.78,"logP.Reference":"OPERA29","logWSol":-5.13,"logWSol.Reference":"OPERA29","MP":-42,"MP.Reference":"OPERA29","MW":162.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"1483-60-9"}
{"Compound":"(z)-1-ethyl-2-methylcyclopentane","CAS":"930-89-2","CAS.Checksum":true,"DTXSID":"DTXSID90873265","Formula":"C8H16","All.Compound.Names":"(z)-1-ethyl-2-methylcyclopentane|Dtxsid90873265","logHenry":-0.8546,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.117,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6408,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.405,"logWSol.Reference":"EPA-CCD-OPERA","MP":-110.7,"MP.Reference":"EPA-CCD-OPERA","MW":112.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"930-89-2"}
{"Compound":"2,6,10-trimethylpentadecane","CAS":"3892-00-0","CAS.Checksum":true,"DTXSID":"DTXSID90873301","Formula":"C18H38","All.Compound.Names":"2,6,10-trimethylpentadecane|Dtxsid90873301","logHenry":-3.569,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.017,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.637,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.109,"logWSol.Reference":"EPA-CCD-OPERA","MP":-86.95,"MP.Reference":"EPA-CCD-OPERA","MW":254.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3892-00-0"}
{"Compound":"Heptadecanenitrile","CAS":"5399-02-0","CAS.Checksum":true,"DTXSID":"DTXSID90873467","Formula":"C17H33N","All.Compound.Names":"Heptadecanenitrile|Dtxsid90873467","logHenry":-6.329,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.524,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.123,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.27,"logWSol.Reference":"EPA-CCD-OPERA","MP":33.89,"MP.Reference":"EPA-CCD-OPERA","MW":251.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5399-02-0"}
{"Compound":"Benzene, (1-butylhexyl)-","CAS":"4537-11-5","CAS.Checksum":true,"DTXSID":"DTXSID90874873","Formula":"C16H26","All.Compound.Names":"Benzene, (1-butylhexyl)-|Dtxsid90874873","logHenry":-2.34,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.906,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.5981,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.637,"logWSol.Reference":"EPA-CCD-OPERA","MP":-15.11,"MP.Reference":"EPA-CCD-OPERA","MW":218.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4537-11-5"}
{"Compound":"Benzene, (1-butylnonyl)-","CAS":"4534-50-3","CAS.Checksum":true,"DTXSID":"DTXSID90875204","Formula":"C19H32","All.Compound.Names":"Benzene, (1-butylnonyl)-|Dtxsid90875204","logHenry":-4.873,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.563,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.3905,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.245,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.56,"MP.Reference":"EPA-CCD-OPERA","MW":260.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4534-50-3"}
{"Compound":"2,3-dimethyl-2-pentanol","CAS":"4911-70-0","CAS.Checksum":true,"DTXSID":"DTXSID90875704","Formula":"C7H16O","All.Compound.Names":"2,3-dimethyl-2-pentanol|Dtxsid90875704|4911-70-0","logHenry":-4.691,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.098,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.415,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.8772,"logWSol.Reference":"EPA-CCD-OPERA","MP":-33.75,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.16","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"4911-70-0"}
{"Compound":"Octane, 2-bromo-","CAS":"557-35-7","CAS.Checksum":true,"DTXSID":"DTXSID90880631","Formula":"C8H17Br","All.Compound.Names":"Octane, 2-bromo-|Dtxsid90880631","logHenry":-2.007,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.614,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1737,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.878,"logWSol.Reference":"EPA-CCD-OPERA","MP":-29.53,"MP.Reference":"EPA-CCD-OPERA","MW":193.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"557-35-7"}
{"Compound":"Bicyclo[6.1.0]nonane, 9-(1-methylethylidene)-","CAS":"56666-90-1","CAS.Checksum":true,"DTXSID":"DTXSID90880636","Formula":"C12H20","All.Compound.Names":"Bicyclo[6.1.0]nonane, 9-(1-methylethylidene)-|Dtxsid90880636","logHenry":-1.708,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.745,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.025,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.858,"logWSol.Reference":"EPA-CCD-OPERA","MP":-72.46,"MP.Reference":"EPA-CCD-OPERA","MW":164.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56666-90-1"}
{"Compound":"2-pentene, 4-methyl-, (z)-","CAS":"691-38-3","CAS.Checksum":true,"DTXSID":"DTXSID90880651","Formula":"C6H12","All.Compound.Names":"2-pentene, 4-methyl-, (z)-|Dtxsid90880651|(2z)-4-methylpent-2-ene","logHenry":-0.6279,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.068,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.1302,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.134,"logWSol.Reference":"EPA-CCD-OPERA","MP":-130.4,"MP.Reference":"EPA-CCD-OPERA","MW":84.16,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"691-38-3"}
{"Compound":"Santolina triene","CAS":"2153-66-4","CAS.Checksum":true,"DTXSID":"DTXSID90880656","Formula":"C10H16","All.Compound.Names":"Santolina triene|Dtxsid90880656","logHenry":-1.431,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.401,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2738,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.499,"logWSol.Reference":"EPA-CCD-OPERA","MP":-102.8,"MP.Reference":"EPA-CCD-OPERA","MW":136.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2153-66-4"}
{"Compound":"2-cyclohexylpiperidine","CAS":"56528-77-9","CAS.Checksum":true,"DTXSID":"DTXSID90880671","Formula":"C11H21N","All.Compound.Names":"2-cyclohexylpiperidine|Dtxsid90880671|56528-77-9","logHenry":-4.519,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.476,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.277,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.736,"logWSol.Reference":"EPA-CCD-OPERA","MP":-2.652,"MP.Reference":"EPA-CCD-OPERA","MW":167.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.72","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56528-77-9"}
{"Compound":"1,2-diphenylcyclopropane","CAS":"29881-14-9","CAS.Checksum":true,"DTXSID":"DTXSID90880676","Formula":"C15H14","All.Compound.Names":"1,2-diphenylcyclopropane|Dtxsid90880676","logHenry":-3.894,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.437,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.981,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.949,"logWSol.Reference":"EPA-CCD-OPERA","MP":76.07,"MP.Reference":"EPA-CCD-OPERA","MW":194.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29881-14-9"}
{"Compound":"Dodecane, 2,2,11,11-tetramethyl-","CAS":"127204-12-0","CAS.Checksum":true,"DTXSID":"DTXSID90880691","Formula":"C16H34","All.Compound.Names":"Dodecane, 2,2,11,11-tetramethyl-|Dtxsid90880691","logHenry":-2.049,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.114,"logP.Reference":"EPA-CCD-OPERA","logPwa":-1.209,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.34,"logWSol.Reference":"EPA-CCD-OPERA","MP":-51.44,"MP.Reference":"EPA-CCD-OPERA","MW":226.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"127204-12-0"}
{"Compound":"Benzene, (1,1-dimethyldecyl)-","CAS":"27854-40-6","CAS.Checksum":true,"DTXSID":"DTXSID90880696","Formula":"C18H30","All.Compound.Names":"Benzene, (1,1-dimethyldecyl)-|Dtxsid90880696","logHenry":-4.007,"logHenry.Reference":"EPA-CCD-OPERA","logP":8.076,"logP.Reference":"EPA-CCD-OPERA","logPwa":0.267,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.98,"logWSol.Reference":"EPA-CCD-OPERA","MP":27.56,"MP.Reference":"EPA-CCD-OPERA","MW":246.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"27854-40-6"}
{"Compound":"Cubenol","CAS":"21284-22-0","CAS.Checksum":true,"DTXSID":"DTXSID90880712","Formula":"C15H26O","All.Compound.Names":"Cubenol|Dtxsid90880712|21284-22-0","logHenry":-6.007,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.766,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.499,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.427,"logWSol.Reference":"EPA-CCD-OPERA","MP":46.73,"MP.Reference":"EPA-CCD-OPERA","MW":222.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.01","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"21284-22-0"}
{"Compound":"Propane, 2,2'-[methylenebis(oxy)]bis-","CAS":"2568-89-0","CAS.Checksum":true,"DTXSID":"DTXSID90880717","Formula":"C7H16O2","All.Compound.Names":"Propane, 2,2'-[methylenebis(oxy)]bis-|Dtxsid90880717","logHenry":-3.416,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.364,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.792,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7676,"logWSol.Reference":"EPA-CCD-OPERA","MP":-83.04,"MP.Reference":"EPA-CCD-OPERA","MW":132.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2568-89-0"}
{"Compound":"Cis-2-methyl-7-octadecene","CAS":"35354-39-3","CAS.Checksum":true,"DTXSID":"DTXSID90880732","Formula":"C19H38","All.Compound.Names":"Cis-2-methyl-7-octadecene|Dtxsid90880732","logHenry":-5.26,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.6148,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.181,"logWSol.Reference":"EPA-CCD-OPERA","MP":23.69,"MP.Reference":"EPA-CCD-OPERA","MW":266.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35354-39-3"}
{"Compound":"4-methyl-2-hexanol","CAS":"2313-61-3","CAS.Checksum":true,"DTXSID":"DTXSID90880737","Formula":"C7H16O","All.Compound.Names":"4-methyl-2-hexanol|Dtxsid90880737|2313-61-3","logHenry":-4.78,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.193,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.567,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.449,"logWSol.Reference":"EPA-CCD-OPERA","MP":-43.91,"MP.Reference":"EPA-CCD-OPERA","MW":116.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"12.3","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2313-61-3"}
{"Compound":"Octadecane, 6-methyl-","CAS":"10544-96-4","CAS.Checksum":true,"DTXSID":"DTXSID90880752","Formula":"C19H40","All.Compound.Names":"Octadecane, 6-methyl-|Dtxsid90880752","logHenry":-4.485,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.412,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.7626,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.179,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.17,"MP.Reference":"EPA-CCD-OPERA","MW":268.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"10544-96-4"}
{"Compound":"1-methyldodecylamine","CAS":"13205-57-7","CAS.Checksum":true,"DTXSID":"DTXSID90880757","Formula":"C13H29N","All.Compound.Names":"1-methyldodecylamine|Dtxsid90880757|13205-57-7","logHenry":-4.664,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.015,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.715,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.485,"logWSol.Reference":"EPA-CCD-OPERA","MP":48.81,"MP.Reference":"EPA-CCD-OPERA","MW":199.4,"MW.Reference":"EPA-CCD-OPERA","pKa_Accept":"10.3","pKa_Accept.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"13205-57-7"}
{"Compound":"Cyclopropane, 1-butyl-1-methyl-2-propyl-","CAS":"41977-34-8","CAS.Checksum":true,"DTXSID":"DTXSID90880777","Formula":"C11H22","All.Compound.Names":"Cyclopropane, 1-butyl-1-methyl-2-propyl-|Dtxsid90880777","logHenry":-1.175,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.077,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.2597,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.671,"logWSol.Reference":"EPA-CCD-OPERA","MP":-101.2,"MP.Reference":"EPA-CCD-OPERA","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"41977-34-8"}
{"Compound":"Anthracene, 9,10-dihydro-2-methyl-","CAS":"948-67-4","CAS.Checksum":true,"DTXSID":"DTXSID90880792","Formula":"C15H14","All.Compound.Names":"Anthracene, 9,10-dihydro-2-methyl-|Dtxsid90880792","logHenry":-3.897,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.907,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.538,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.628,"logWSol.Reference":"EPA-CCD-OPERA","MP":82.63,"MP.Reference":"EPA-CCD-OPERA","MW":194.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"948-67-4"}
{"Compound":"Oxetane, 2,3,4-trimethyl-, (2.alpha.,3.alpha.,4.beta.)-","CAS":"32347-12-9","CAS.Checksum":true,"DTXSID":"DTXSID90880797","Formula":"C6H12O","All.Compound.Names":"Oxetane, 2,3,4-trimethyl-, (2.alpha.,3.alpha.,4.beta.)-|Dtxsid90880797","logHenry":-3.006,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.034,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.239,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2282,"logWSol.Reference":"EPA-CCD-OPERA","MP":-34.55,"MP.Reference":"EPA-CCD-OPERA","MW":100.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"32347-12-9"}
{"Compound":"Hexane, 3,4-diphenyl-","CAS":"5789-31-1","CAS.Checksum":true,"DTXSID":"DTXSID90880813","Formula":"C18H22","All.Compound.Names":"Hexane, 3,4-diphenyl-|Dtxsid90880813","logHenry":-3.682,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.955,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.253,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.167,"logWSol.Reference":"EPA-CCD-OPERA","MP":9.785,"MP.Reference":"EPA-CCD-OPERA","MW":238.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"5789-31-1"}
{"Compound":"M-toluic acid, 2-ethylhexyl ester","CAS":"16397-66-3","CAS.Checksum":true,"DTXSID":"DTXSID90880818","Formula":"C16H24O2","All.Compound.Names":"M-toluic acid, 2-ethylhexyl ester|Dtxsid90880818","logHenry":-6.891,"logHenry.Reference":"EPA-CCD-OPERA","logP":5.192,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.222,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.45,"logWSol.Reference":"EPA-CCD-OPERA","MP":30.52,"MP.Reference":"EPA-CCD-OPERA","MW":248.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"16397-66-3"}
{"Compound":"4-nonenal, (e)-","CAS":"2277-16-9","CAS.Checksum":true,"DTXSID":"DTXSID90880833","Formula":"C9H16O","All.Compound.Names":"4-nonenal, (e)-|Dtxsid90880833","logHenry":-3.395,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.193,"logP.Reference":"EPA-CCD-OPERA","logPwa":1.258,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.549,"logWSol.Reference":"EPA-CCD-OPERA","MP":-6.659,"MP.Reference":"EPA-CCD-OPERA","MW":140.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2277-16-9"}
{"Compound":"Decane, 2,4,6-trimethyl-","CAS":"62108-27-4","CAS.Checksum":true,"DTXSID":"DTXSID90880838","Formula":"C13H28","All.Compound.Names":"Decane, 2,4,6-trimethyl-|Dtxsid90880838","logHenry":-0.8348,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.45,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.9381,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.879,"logWSol.Reference":"EPA-CCD-OPERA","MP":-115.2,"MP.Reference":"EPA-CCD-OPERA","MW":184.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"62108-27-4"}
{"Compound":"7-hexadecene, (z)-","CAS":"35507-09-6","CAS.Checksum":true,"DTXSID":"DTXSID90880853","Formula":"C16H32","All.Compound.Names":"7-hexadecene, (z)-|Dtxsid90880853","logHenry":-2.906,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.799,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.295,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.522,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.63,"MP.Reference":"EPA-CCD-OPERA","MW":224.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"35507-09-6"}
{"Compound":"9-nonadecene","CAS":"31035-07-1","CAS.Checksum":true,"DTXSID":"DTXSID90880858","Formula":"C19H38","All.Compound.Names":"9-nonadecene|Dtxsid90880858","logHenry":-5.263,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.275,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.13,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.65,"MP.Reference":"EPA-CCD-OPERA","MW":266.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"31035-07-1"}
{"Compound":"3-eicosene, (e)-","CAS":"74685-33-9","CAS.Checksum":true,"DTXSID":"DTXSID90880873","Formula":"C20H40","All.Compound.Names":"3-eicosene, (e)-|Dtxsid90880873","logHenry":-5.27,"logHenry.Reference":"EPA-CCD-OPERA","logP":9.229,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.624,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-8.22,"logWSol.Reference":"EPA-CCD-OPERA","MP":-74.65,"MP.Reference":"EPA-CCD-OPERA","MW":280.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"74685-33-9"}
{"Compound":"2-chlorobenzoic acid, undecyl ester","CAS":"97221-96-0","CAS.Checksum":true,"DTXSID":"DTXSID90880878","Formula":"C18H27ClO2","All.Compound.Names":"2-chlorobenzoic acid, undecyl ester|Dtxsid90880878","logHenry":-6.647,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.525,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.633,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.737,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.56,"MP.Reference":"EPA-CCD-OPERA","MW":310.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"97221-96-0"}
{"Compound":"(9e,12e)-9,12-octadecadienoic acid methyl ester","CAS":"2566-97-4","CAS.Checksum":true,"DTXSID":"DTXSID90880893","Formula":"C19H34O2","All.Compound.Names":"(9e,12e)-9,12-octadecadienoic acid methyl ester|Dtxsid90880893","logHenry":-6.506,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.821,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.029,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.488,"logWSol.Reference":"EPA-CCD-OPERA","MP":-34.81,"MP.Reference":"EPA-CCD-OPERA","MW":294.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"2566-97-4"}
{"Compound":"13,16-octadecadiynoic acid, methyl ester","CAS":"56846-98-1","CAS.Checksum":true,"DTXSID":"DTXSID90880898","Formula":"C19H30O2","All.Compound.Names":"13,16-octadecadiynoic acid, methyl ester|Dtxsid90880898","logHenry":-6.612,"logHenry.Reference":"EPA-CCD-OPERA","logP":6.334,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.076,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-6.012,"logWSol.Reference":"EPA-CCD-OPERA","MP":-25.54,"MP.Reference":"EPA-CCD-OPERA","MW":290.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"56846-98-1"}
{"Compound":"3-cyclohexene-1-carboxaldehyde, 1,3,4-trimethyl-","CAS":"40702-26-9","CAS.Checksum":true,"DTXSID":"DTXSID90880914","Formula":"C10H16O","All.Compound.Names":"3-cyclohexene-1-carboxaldehyde, 1,3,4-trimethyl-|Dtxsid90880914","logHenry":-4.272,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.825,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.184,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.91,"logWSol.Reference":"EPA-CCD-OPERA","MP":-4.819,"MP.Reference":"EPA-CCD-OPERA","MW":152.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"40702-26-9"}
{"Compound":"2-propanol, 1-[1-methyl-2-(2-propenyloxy)ethoxy]-","CAS":"55956-25-7","CAS.Checksum":true,"DTXSID":"DTXSID90880919","Formula":"C9H18O3","All.Compound.Names":"2-propanol, 1-[1-methyl-2-(2-propenyloxy)ethoxy]-|Dtxsid90880919|55956-25-7","logHenry":-8.282,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8159,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.178,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.1564,"logWSol.Reference":"EPA-CCD-OPERA","MP":-26.78,"MP.Reference":"EPA-CCD-OPERA","MW":174.2,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"7.95","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"55956-25-7"}
{"Compound":"2,4-imidazolidinedione, 5-methyl-","CAS":"616-03-5","CAS.Checksum":true,"DTXSID":"DTXSID90880934","Formula":"C4H6N2O2","All.Compound.Names":"2,4-imidazolidinedione, 5-methyl-|Dtxsid90880934|2-phenylpropionic acid|616-03-5","logHenry":-7.513,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.9097,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.749,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.5637,"logWSol.Reference":"EPA-CCD-OPERA","MP":179.1,"MP.Reference":"EPA-CCD-OPERA","MW":114.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"8.29","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"616-03-5"}
{"Compound":"Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-, (1alpha,3alpha,6alpha)-","CAS":"18968-23-5","CAS.Checksum":true,"DTXSID":"DTXSID90881209","Formula":"C10H18","All.Compound.Names":"Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-, (1alpha,3alpha,6alpha)-|Dtxsid90881209","logHenry":-1.227,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.63,"logP.Reference":"EPA-CCD-OPERA","logPwa":-0.07266,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.096,"logWSol.Reference":"EPA-CCD-OPERA","MP":102.2,"MP.Reference":"EPA-CCD-OPERA","MW":138.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"18968-23-5"}
{"Compound":"(e)-3-penten-2-one","CAS":"3102-33-8","CAS.Checksum":true,"DTXSID":"DTXSID90881229","Formula":"C5H8O","All.Compound.Names":"(e)-3-penten-2-one|Dtxsid90881229","logHenry":-4.642,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.5234,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.703,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.4537,"logWSol.Reference":"EPA-CCD-OPERA","MP":-64.78,"MP.Reference":"EPA-CCD-OPERA","MW":84.12,"MW.Reference":"EPA-CCD-OPERA","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"3102-33-8"}
{"Compound":"Trans-4-isopropyl-1-methyl-2-cyclohexen-1-ol","CAS":"29803-81-4","CAS.Checksum":true,"DTXSID":"DTXSID90881244","Formula":"C10H18O","All.Compound.Names":"Trans-4-isopropyl-1-methyl-2-cyclohexen-1-ol|Dtxsid90881244|29803-81-4","logHenry":-4.7,"logHenry.Reference":"OPERA29","logP":3.08,"logP.Reference":"OPERA29","logWSol":-2.28,"logWSol.Reference":"OPERA29","MP":42,"MP.Reference":"OPERA29","MW":154.3,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"11.31","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"29803-81-4"}
{"Compound":"Pantolactone","CAS":"599-04-2","CAS.Checksum":true,"DTXSID":"DTXSID90881249","Formula":"C6H10O3","All.Compound.Names":"Pantolactone|Dtxsid90881249|D-pantolactone|599-04-2","logHenry":-8.175,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.03551,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.654,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":0.3943,"logWSol.Reference":"EPA-CCD-OPERA","MP":91.88,"MP.Reference":"EPA-CCD-OPERA","MW":130.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"4.25","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"","_row":"599-04-2"}
{"Compound":"Sodium perfluorohexanesulfonate","CAS":"82382-12-5","CAS.Checksum":true,"DTXSID":"DTXSID90892476","Formula":"C6F13NaO3S","All.Compound.Names":"Sodium perfluorohexanesulfonate|Dtxsid90892476|82382-12-5","logHenry":-9.713,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.4934,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.781,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.215,"logWSol.Reference":"EPA-CCD-OPERA","MP":217.1,"MP.Reference":"EPA-CCD-OPERA","MW":422.1,"MW.Reference":"EPA-CCD-OPERA","pKa_Donor":"-1.64","pKa_Donor.Reference":"OPERAv2.9","All.Species":"None","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Chemical.Class":"PFAS","_row":"82382-12-5"}
{"Compound":"94079-80-8","CAS":"94079-80-8","CAS.Checksum":true,"DTXSID":"DTXSID00873211","Formula":"C22H30O5","All.Compound.Names":"94079-80-8|Cicaprost","logHenry":-10.12,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.039,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.235,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.683,"logWSol.Reference":"EPA-CCD-OPERA","MP":97.4,"MP.Reference":"EPA-CCD-OPERA","MW":374.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"94079-80-8"}
{"Compound":"120924-80-3","CAS":"120924-80-3","CAS.Checksum":true,"DTXSID":"DTXSID50873221","Formula":"C13H15F2N3O3S","All.Compound.Names":"120924-80-3|Genaconazole","logHenry":-8.316,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.235,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.952,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.324,"logWSol.Reference":"EPA-CCD-OPERA","MP":161.9,"MP.Reference":"EPA-CCD-OPERA","MW":331.3,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":1,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":1,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":1,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"120924-80-3"}
{"Compound":"76470-66-1","CAS":"76470-66-1","CAS.Checksum":true,"DTXSID":"DTXSID7023223","Formula":"C16H16ClN3O4","All.Compound.Names":"76470-66-1|Loracarbef","logHenry":-10.81,"logHenry.Reference":"EPA-CCD-OPERA","logP":0.8766,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.471,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.61,"logWSol.Reference":"EPA-CCD-OPERA","MP":157.9,"MP.Reference":"EPA-CCD-OPERA","MW":349.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.94,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"76470-66-1"}
{"Compound":"61-72-3","CAS":"61-72-3","CAS.Checksum":true,"DTXSID":"DTXSID5022853","Formula":"C19H18ClN3O5S","All.Compound.Names":"61-72-3|6-(3-o-chlorophenyl-5-methylisoxazol-4-ylamido) penicillanic acid","logHenry":-11.02,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.48,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.161,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.502,"logWSol.Reference":"EPA-CCD-OPERA","MP":170,"MP.Reference":"EPA-CCD-OPERA","MW":435.9,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Fabs":0.75,"Human.Fabs.Reference":"Varma 2010","Human.Fgut":0.51,"Human.Fgut.Reference":"Varma 2010","Human.Fhep":0.97,"Human.Fhep.Reference":"Varma 2010","Human.Foral":0.4,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"61-72-3"}
{"Compound":"111841-85-1","CAS":"111841-85-1","CAS.Checksum":true,"DTXSID":"DTXSID40149745","Formula":"C24H24N2O4","All.Compound.Names":"111841-85-1|Abecarnil","logHenry":-10.05,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.457,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.788,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.93,"logWSol.Reference":"EPA-CCD-OPERA","MP":98.03,"MP.Reference":"EPA-CCD-OPERA","MW":404.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.92,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"111841-85-1"}
{"Compound":"61-00-7","CAS":"61-00-7","CAS.Checksum":true,"DTXSID":"DTXSID1022552","Formula":"C19H22N2OS","All.Compound.Names":"61-00-7|Acetylpromazine","logHenry":-7.499,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.7,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.184,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.985,"logWSol.Reference":"EPA-CCD-OPERA","MP":72.37,"MP.Reference":"EPA-CCD-OPERA","MW":326.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.55,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"61-00-7"}
{"Compound":"3040-38-8","CAS":"3040-38-8","CAS.Checksum":true,"DTXSID":"DTXSID1040956","Formula":"C9H17NO4","All.Compound.Names":"3040-38-8|Acetyl-l-carnitine","logHenry":-4.125,"logHenry.Reference":"EPA-CCD-OPERA","logP":-0.05392,"logP.Reference":"EPA-CCD-OPERA","logPwa":4.368,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.2673,"logWSol.Reference":"EPA-CCD-OPERA","MP":23.07,"MP.Reference":"EPA-CCD-OPERA","MW":203.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.1,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"3040-38-8"}
{"Compound":"1111-39-3","CAS":"1111-39-3","CAS.Checksum":true,"DTXSID":"DTXSID6022551","Formula":"C43H66O14","All.Compound.Names":"1111-39-3|Acetyldigitoxin","logHenry":-7.997,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.523,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.031,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.44,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.2,"MP.Reference":"EPA-CCD-OPERA","MW":807,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.7,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"1111-39-3"}
{"Compound":"173334-57-1","CAS":"173334-57-1","CAS.Checksum":true,"DTXSID":"DTXSID40891494","Formula":"C30H53N3O6","All.Compound.Names":"173334-57-1|Aliskiren","logHenry":-10.93,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.122,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.37,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.728,"logWSol.Reference":"EPA-CCD-OPERA","MP":141.5,"MP.Reference":"EPA-CCD-OPERA","MW":551.8,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.025,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"173334-57-1"}
{"Compound":"18683-91-5","CAS":"18683-91-5","CAS.Checksum":true,"DTXSID":"DTXSID8022583","Formula":"C13H18Br2N2O","All.Compound.Names":"18683-91-5|Ambroxol","logHenry":-8.277,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.636,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.62,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-2.669,"logWSol.Reference":"EPA-CCD-OPERA","MP":146.8,"MP.Reference":"EPA-CCD-OPERA","MW":378.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.77,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"18683-91-5"}
{"Compound":"32886-97-8","CAS":"32886-97-8","CAS.Checksum":true,"DTXSID":"DTXSID7048538","Formula":"C21H33N3O5S","All.Compound.Names":"32886-97-8|Pivmecillinam","logHenry":-7.706,"logHenry.Reference":"EPA-CCD-OPERA","logP":3.598,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.104,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.633,"logWSol.Reference":"EPA-CCD-OPERA","MP":118.9,"MP.Reference":"EPA-CCD-OPERA","MW":439.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"32886-97-8"}
{"Compound":"68475-42-3","CAS":"68475-42-3","CAS.Checksum":true,"DTXSID":"DTXSID4048305","Formula":"C10H7Cl2N3O","All.Compound.Names":"68475-42-3|Anagrelide","logHenry":-7.637,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.789,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.477,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.34,"logWSol.Reference":"EPA-CCD-OPERA","MP":204.1,"MP.Reference":"EPA-CCD-OPERA","MW":256.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.75,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"68475-42-3"}
{"Compound":"55300-29-3","CAS":"55300-29-3","CAS.Checksum":true,"DTXSID":"DTXSID60203833","Formula":"C30H26F6N4O2","All.Compound.Names":"55300-29-3|Antrafenine","logHenry":-7.288,"logHenry.Reference":"EPA-CCD-OPERA","logP":7.26,"logP.Reference":"EPA-CCD-OPERA","logPwa":2.916,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-7.315,"logWSol.Reference":"EPA-CCD-OPERA","MP":136.1,"MP.Reference":"EPA-CCD-OPERA","MW":588.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.99,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"55300-29-3"}
{"Compound":"37640-71-4","CAS":"37640-71-4","CAS.Checksum":true,"DTXSID":"DTXSID3022615","Formula":"C22H30N2","All.Compound.Names":"37640-71-4|Aprindine","logHenry":-6.01,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.861,"logP.Reference":"EPA-CCD-OPERA","logPwa":5.783,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-5.036,"logWSol.Reference":"EPA-CCD-OPERA","MP":120.3,"MP.Reference":"EPA-CCD-OPERA","MW":322.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.85,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"37640-71-4"}
{"Compound":"51025-85-5","CAS":"51025-85-5","CAS.Checksum":true,"DTXSID":"DTXSID8048319","Formula":"C22H44N6O10","All.Compound.Names":"51025-85-5|Arbekacin","logHenry":-10.62,"logHenry.Reference":"EPA-CCD-OPERA","logP":-1.687,"logP.Reference":"EPA-CCD-OPERA","logPwa":11.29,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-0.7764,"logWSol.Reference":"EPA-CCD-OPERA","MP":185.5,"MP.Reference":"EPA-CCD-OPERA","MW":552.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"51025-85-5"}
{"Compound":"151140-96-4","CAS":"151140-96-4","CAS.Checksum":true,"DTXSID":"DTXSID60164718","Formula":"C22H30N6O3S","All.Compound.Names":"151140-96-4|Avitriptan","logHenry":-9.943,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.617,"logP.Reference":"EPA-CCD-OPERA","logPwa":7.045,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-4.331,"logWSol.Reference":"EPA-CCD-OPERA","MP":233.5,"MP.Reference":"EPA-CCD-OPERA","MW":458.6,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.172,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"151140-96-4"}
{"Compound":"17243-38-8","CAS":"17243-38-8","CAS.Checksum":true,"DTXSID":"DTXSID20938154","Formula":"C16H17N5O4S","All.Compound.Names":"17243-38-8|Azidocillin","logHenry":-10.88,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.039,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.406,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.99,"logWSol.Reference":"EPA-CCD-OPERA","MP":192.3,"MP.Reference":"EPA-CCD-OPERA","MW":375.4,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.6,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"17243-38-8"}
{"Compound":"86541-75-5","CAS":"86541-75-5","CAS.Checksum":true,"DTXSID":"DTXSID5022645","Formula":"C24H28N2O5","All.Compound.Names":"86541-75-5|Benazepril","logHenry":-10.89,"logHenry.Reference":"EPA-CCD-OPERA","logP":1.328,"logP.Reference":"EPA-CCD-OPERA","logPwa":8.298,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.132,"logWSol.Reference":"EPA-CCD-OPERA","MP":148.5,"MP.Reference":"EPA-CCD-OPERA","MW":424.5,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.18,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"86541-75-5"}
{"Compound":"59-41-6","CAS":"59-41-6","CAS.Checksum":true,"DTXSID":"DTXSID3046958","Formula":"C11H17BrN","All.Compound.Names":"59-41-6|Bretylium","logHenry":-3.241,"logHenry.Reference":"EPA-CCD-OPERA","logP":2.598,"logP.Reference":"EPA-CCD-OPERA","logPwa":3.364,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-1.578,"logWSol.Reference":"EPA-CCD-OPERA","MP":13.78,"MP.Reference":"EPA-CCD-OPERA","MW":243.2,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.23,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"59-41-6"}
{"Compound":"3572-43-8","CAS":"3572-43-8","CAS.Checksum":true,"DTXSID":"DTXSID6022686","Formula":"C14H20Br2N2","All.Compound.Names":"3572-43-8|Bromhexine","logHenry":-5.245,"logHenry.Reference":"EPA-CCD-OPERA","logP":4.994,"logP.Reference":"EPA-CCD-OPERA","logPwa":6.246,"logPwa.Reference":"EPA-CCD-OPERA","logWSol":-3.492,"logWSol.Reference":"EPA-CCD-OPERA","MP":238,"MP.Reference":"EPA-CCD-OPERA","MW":376.1,"MW.Reference":"EPA-CCD-OPERA","All.Species":"Human","DTXSID.Reference":"EPA-CCD-OPERA","Formula.Reference":"EPA-CCD-OPERA","Human.Foral":0.775,"Human.Foral.Reference":"Kim 2014","Chemical.Class":"","_row":"3572-43-8"}
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