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.

58 compounds | Property pLD50mouse: Mouse oral toxicity as log(LD50) [-log(mmol/kg)]

IDNamepLD50mouseDetails
000121-17-54-Chloro-3-nitrobenzotrifluoride2.75View
000335-76-2Perfluorodecanoic acid3.67View
000350-57-2(1,1,2,2-Tetrafluoroethoxy)benzene1.73View
000360-53-21,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene2.3View
000376-53-4Octafluorohexanedinitrile2.11View
000376-89-6Hexafluoropentanedinitrile2.32View
000424-40-8Diethyl hexafluoroglutarate1.85View
000706-79-61,2-Dichlorohexafluorocyclopentene2.95View
013838-16-9Enflurane1.39View
024095-80-54-Methyl-1-(3,5-bistrifluoromethylphenyl)thiosemicarbazide3.07View
026675-46-7Isoflurane1.38View
028523-86-6Sevoflurane1.04View
061988-37-24-(1,1,2,2-Tetrafluoroethoxy)benzene-1,3-diamine2.32View
000098-08-8Benzotrifluoride1.17View
000098-16-83-Aminobenzotrifluoride2.87View
000098-56-64-Chlorobenzotrifluoride1.2View
000337-28-0Pentafluoropropionaldehyde ethyl hemiacetal2.21View
000360-54-3methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate2.85View
000360-58-71-Ethoxyperfluoroisobutylene3.14View
000378-75-6Methyl pentafluoropropionate1.41View
000382-93-4methyl 2,3,3,3-tetrafluoropropanoate1.2View
000422-05-92,2,3,3,3-Pentafluoro-1-propanol2.18View
000422-63-92,2,3,3,3-Pentafluoro-1,1-propanediol2.44View
000431-46-9Trifluoroacetaldehyde methyl hemiacetal2.37View
000559-11-51,1-Dihydroperfluoroheptyl acrylate4.38View
000920-66-11,1,1,3,3,3-Hexafluoroisopropanol2.45View
001547-36-04,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid2.15View
001835-49-0Tetrafluoroterephthalonitrile3.55View
001929-68-63-Chloro-2,5,6-trifluoroterephthalonitrile3.73View
002368-64-12,2,2-Trifluoro-n-[2-(trifluoromethyl)phenyl]acetamide2.74View
002946-73-82,2,2-Trifluoro-n-[3-(trifluoromethyl)phenyl]acetamide2.49View
015700-73-93-(1-Hydroxy-2-trifluoro-1-(trifluoromethyl)ethyl)-2,4-pentanedione2.82View
020404-94-81,2-Dibromoheptafluoroisobutyl methyl ether2.51View
023384-22-7N-(2,4-Difluorophenyl)-1,1,1-trifluoromethanesulfonamide3.48View
023757-42-8Midaflur3.13View
026799-34-82-((2-(Dimethylamino)ethyl)amino)-1,1,1,3,3,3-hexafluoro-2-propanol2.93View
028462-90-02-Pentafluoroethylimidazolidine2.38View
030184-88-44-methyl-5-phenyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine3.18View
030184-89-51,1,1,3,3,3-Hexafluoro-2-((2-hydroxyethyl)amino)-2-propanol2.88View
031185-53-22-Heptafluoropropylimidazolidine2.6View
031185-59-82-Pentafluoroethyloxazolidine2.08View
031185-61-22-(Trifluoromethyl)-1,3-oxazocane2.06View
031185-65-61-Methyl-4-(pentafluoroethyl)-2,6,7-trioxabicyclo[2.2.2]octane2.19View
031185-66-71-Ethyl-4-(pentafluoroethyl)-2,6,7-trioxabicyclo[2.2.2]octane2.21View
031185-67-81-(Heptafluoropropyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane2.27View
031185-68-94-Ethyl-1-(heptafluoropropyl)-2,6,7-trioxabicyclo[2.2.2]octane2.29View
031185-69-02,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-1,1-octanediol2.62View
031224-45-01,1-Diethoxy-2,2,2-trifluoroethane2.24View
042818-60-01-[3-amino-5-(trifluoromethyl)phenyl]ethanol2.34View
056973-16-11-[3-(2,5-dioxopyrrol-1-yl)-2,4,5,6-tetrafluorophenyl]pyrrole-2,5-dione2.31View
063979-48-65,5,5-Trifluoro-3-hydroxy-4-(trifluoromethyl)pentanoic acid2.18View
067205-67-82-Ethylamino-3,5,6-trifluoroterephthalonitrile2.98View
067319-83-94'-(Trifluoromethyl)-2,2,2-trifluoroacetanilide2.39View
101834-51-94-methyl-5-(phenylmethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidine3.2View
105923-30-6N-(2-Bromo-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide3.96View
105923-79-3N-(2-Bromo-4-nitrophenyl)-2,3,3,4,4,5,5-octafluoro-2-(trifluoromethyl)pentanamide4.64View
107349-85-9N-(2-Bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxamide4.72View
107350-42-51,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2,3,4,5-tetrachlorophenyl)cyclohexane-1-carboxamide3.14View

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