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:000376-89-6
Name:perfluoroglutaronitrile
Description:
Labels:
CAS:376-89-6
InChi Code:InChI=1S/C5F6N2/c6-3(7,1-12)5(10,11)4(8,9)2-13

Properties

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

ValueSource or prediction
6.542

experimental value

5.81103

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
6.4794

experimental value

6.48176

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