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:063979-48-6
Name:5,5,5-Trifluoro-3-hydroxy-4-(trifluoromethyl)pentanoic acid
Description:
Labels:
CAS:63979-48-6
InChi Code:InChI=1/C6H6F6O3/c7-5(8,9)4(6(10,11)12)2(13)1-3(14)15/h2,4,13H,1H2,(H,14,15)/f/h14H

Properties

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

ValueSource or prediction
2.18

experimental value

2.50645

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