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:002946-73-8
Name:2,2,2-Trifluoro-n-[3-(trifluoromethyl)phenyl]acetamide
Description:
Labels:
CAS:2946-73-8
InChi Code:InChI=1/C9H5F6NO/c10-8(11,12)5-2-1-3-6(4-5)16-7(17)9(13,14)15/h1-4H,(H,16,17)/f/h16H

Properties

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

ValueSource or prediction
2.49

experimental value

2.27595

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

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