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:031185-69-0
Name:2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-1,1-octanediol
Description:
Labels:
CAS:31185-69-0
InChi Code:InChI=1/C8H3F15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1,24-25H

Properties

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

ValueSource or prediction
2.62

experimental value

2.87875

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

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