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:000098-08-8
Name:Trifluoromethylbenzene
Description:The original non-IUPAC name was: Benzotrifluoride
Labels:
CAS:98-08-8
InChi Code:InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

Properties

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

ValueSource or prediction
3.2

experimental value

4.16453

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
3.3146

experimental value

4.16272

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

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