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:000098-56-6
Name:4-Chlorobenzotrifluoride
Description:
Labels:
CAS:98-56-6
InChi Code:InChI=1/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

Properties

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

ValueSource or prediction
1.2

experimental value

1.999

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

Links to External Resources