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:000303-04-8
Name:2,3-dichlorohexafluoro-2-Butene
Description:
Labels:
CAS:303-04-8
InChi Code:InChI=1S/C4Cl2F6/c5-1(3(7,8)9)2(6)4(10,11)12/b2-1+

Properties

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

ValueSource or prediction
3.952

experimental value

3.23141

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
4.1631

experimental value

3.8592

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