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.

Compound

ID:001547-36-0
Name:4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid
Description:
Labels:
CAS:1547-36-0
InChi Code:InChI=1/C5H4F6O3/c6-4(7,8)3(14,1-2(12)13)5(9,10)11/h14H,1H2,(H,12,13)/f/h12H

Properties

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

ValueSource or prediction
2.15

experimental value

2.4256

Eq1: model for 58 polyfluorinated compounds for mouse oral toxicity (train)

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