10967/179 - QDB Compounds

QsarDB Repository

Bhhatarai, B.; Gramatica, P. Per- and Polyfluoro Toxicity (LC 50 Inhalation) Study in Rat and Mouse Using QSAR Modeling. Chem. Res. Toxicol. 2010, 23, 528–539.

Compound

ID:000098-46-4
Name:m-(Trifluoromethyl)nitrobenzene
Description:
Labels:
CAS:98-46-4
InChi Code:InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H

Properties

pLC50mouse: Mice acute inhalation toxicity as pLC50 [-log(mmol/m^3)]

ValueSource or prediction
5.337

experimental value

5.03531

Eq1: Acute inhalation toxicity in mice of perfluorinated compounds (Training set)

pLC50rat: Rat acute inhalation toxicity as pLC50 [-log(mmol/m^3)]

ValueSource or prediction
5.3418

experimental value

4.71622

Eq2: Acute inhalation toxicity in rats of perfluorinated compounds. (Training set)