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:026675-46-7
Name:2-Chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
Description:The original non-IUPAC name was: Isoflurane
Labels:
CAS:26675-46-7
InChi Code:InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H

Properties

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

ValueSource or prediction
1.041

experimental value

2.39408

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
1.0813

experimental value

1.44577

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

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