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:020404-94-8
Name:1,2-Dibromoheptafluoroisobutyl methyl ether
Description:
Labels:
CAS:20404-94-8
InChi Code:InChI=1/C5H3Br2F7O/c1-15-3(7,8)2(6,4(9,10)11)5(12,13)14/h1H3

Properties

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

ValueSource or prediction
2.51

experimental value

2.838

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