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:013838-16-9
Name:2-Chloro-1,1,2-trifluoroethyl difluoromethyl ether
Description:
Labels:
CAS:13838-16-9
InChi Code:InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H

Properties

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

ValueSource or prediction
1.357

experimental value

2.2854

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
1.1198

experimental value

1.50374

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

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