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:000920-66-1
Name:1,1,1,3,3,3-Hexafluoroisopropanol
Description:
Labels:
CAS:920-66-1
InChi Code:InChI=1/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H

Properties

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

ValueSource or prediction
2.45

experimental value

2.34055

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

Links to External Resources