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:000098-16-8
Name:3-Aminobenzotrifluoride
Description:
Labels:
CAS:98-16-8
InChi Code:InChI=1/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2

Properties

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

ValueSource or prediction
2.87

experimental value

2.06025

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

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