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:000127-21-9
Name:1,3-Dichlorotetrafluoroacetone
Description:
Labels:
CAS:127-21-9
InChi Code:InChI=1S/C3Cl2F4O/c4-2(6,7)1(10)3(5,8)9

Properties

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

ValueSource or prediction
4.645

experimental value

3.91729

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
4.6175

experimental value

3.62257

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

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