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:000422-63-9
Name:2,2,3,3,3-Pentafluoro-1,1-propanediol
Description:
Labels:
CAS:422-63-9
InChi Code:InChI=1/C3H3F5O2/c4-2(5,1(9)10)3(6,7)8/h1,9-10H

Properties

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

ValueSource or prediction
2.44

experimental value

2.5293

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

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