10967/170 - QDB Compounds

QsarDB Repository

Bhhatarai, B.; Gramatica, P. Oral LD50 toxicity modeling and prediction of per- and polyfluorinated chemicals on rat and mouse. Mol. Diversity 2010, 15, 467–476.

Compound

ID:000706-79-6
Name:1,2-Dichlorohexafluorocyclopentene
Description:
Labels:
CAS:706-79-6
InChi Code:InChI=1/C5Cl2F6/c6-1-2(7)4(10,11)5(12,13)3(1,8)9

Properties

pLD50mouse: Mouse oral toxicity as log(LD50) [-log(mmol/kg)]

ValueSource or prediction
2.95

experimental value

2.85495

Eq1: model for 58 polyfluorinated compounds for mouse oral toxicity (train)

pLD50rat: Rat oral toxicity as log(1/LD50) [-log(mmol/kg)]

ValueSource or prediction
2.942

experimental value

2.875554

Eq2: model for 50 polyflourinated compounds for rat oral toxicity (train)