10967/170 - QDB Compounds

QsarDB Repository

Bhhatarai, B.; Gramatica, P. Oral LD50 toxicity modeling and prediction of per- and polyfluorinated chemicals on rat and mouse. Mol. Diversity 2010, 15, 467–476.

50 compounds | Property pLD50rat: Rat oral toxicity as log(1/LD50) [-log(mmol/kg)]

IDNamepLD50ratDetails
000075-89-82,2,2-Trifluoroethanol2.62View
000076-21-1Hexadecafluoro-nonanoic acid2.735View
000121-17-54-Chloro-3-nitrobenzotrifluoride2.322View
000127-21-91,3-Dichlorotetrafluoroacetone3.513View
000311-89-7Perfluorotributylamine1.827View
000335-76-2Perfluorodecanoic acid3.955View
000344-07-0Chloropentafluorobenzene1.607View
000350-57-2(1,1,2,2-Tetrafluoroethoxy)benzene1.589View
000355-42-0Perflexane1.83View
000358-21-4Bis(pentafluoroethyl) ether1.104View
000360-53-21,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene2.297View
000363-72-4Pentafluorobenzene1.924View
000375-01-92,2,3,3,4,4,4-Heptafluoro-1-butanol1.741View
000375-34-82,2,3,3-Tetrachloro-1,1,1,4,4,4-hexafluorobutane2.58View
000375-73-5Nonafluorobutane-1-sulfonic acid2.844View
000376-18-12,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononan-1-ol1.992View
000376-53-4Octafluorohexanedinitrile1.937View
000376-72-7Octafluoropentanoic acid2.146View
000376-89-6Hexafluoropentanedinitrile1.891View
000376-90-92,2,3,3,4,4-Hexafluoro-1,5-pentanediol2.076View
000422-56-03,3-dichloro-1,1,1,2,2-pentafluoro-propane1.608View
000424-40-8Diethyl hexafluoroglutarate1.773View
000425-87-62-Chloro-1,1,2-trifluoroethyl methyl ether1.462View
000440-60-82,3,4,5,6-Pentafluorobenzyl alcohol2.343View
000447-14-3(Trifluorovinyl)benzene1.801View
000507-55-11,3-Dichloro-1,1,2,2,3-pentafluoropropane1.608View
000684-16-2Hexafluoroacetone2.939View
000706-79-61,2-Dichlorohexafluorocyclopentene2.942View
000754-91-6Perfluorooctanesulfonamide3.463View
000756-91-23-​Heptene-​2,​6-​diol, 1,​1,​1,​7,​7,​7-​hexafluoro-​4-​methyl-​2,​6-​bis(trifluoromethyl)​-4.334View
001478-61-14,4'-(Hexafluoroisopropylidene)diphenol1.995View
001546-95-8Dodecafluoroheptanoic acid2.381View
001599-41-31,2,2-Trichloropentafluoropropane0.984View
002355-43-34,5,6,7-Tetrafluoro-2-(trifluoromethyl)benzimidazole4.889View
004151-50-2Sulfluramid2.987View
013838-16-9Enflurane1.348View
023152-45-62-(3,5-Bis(trifluoromethyl)phenyl)-N-methylhydrazinecarboxamide2.147View
024095-80-54-Methyl-1-(3,5-bistrifluoromethylphenyl)thiosemicarbazide2.884View
026675-46-7Isoflurane1.411View
028523-86-6Sevoflurane1.268View
039660-55-4Octafluoro-1-pentanol2.32View
061988-37-24-(1,1,2,2-Tetrafluoroethoxy)benzene-1,3-diamine2.321View
089426-93-74,6-Difluoro-2-(trifluoromethyl)benzimidazole4.95View
089427-09-82,4-Bis(trifluoromethyl)-6-chlorobenzimidazole5.24View
089427-15-64,5,7-Trifluoro-2-(trifluoromethyl)benzimidazole5.02View
089427-27-05,7-Dichloro-4,6-difluoro-2-(trifluoromethyl)benzimidazole5.24View
089427-28-15,7-Dibromo-4,6-difluoro-2-(trifluoromethyl)benzimidazole4.72View
089427-30-55-Methoxy-4,6,7-trifluoro-2-(trifluoromethyl)benzimidazole4.97View
089427-31-65-Methyl-4,6,7-trifluoro-2-(trifluoromethyl)benzimidazole4.81View
138495-42-81,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane1.703View

Bibliography

  1. Bhhatarai, B.; Gramatica, P. Oral LD50 toxicity modeling and prediction of per- and polyfluorinated chemicals on rat and mouse. Molecular Diversity 2010, 15, 467–476. http://dx.doi.org/10.1007/s11030-010-9268-z