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:031185-68-9
Name:4-Ethyl-1-(heptafluoropropyl)-2,6,7-trioxabicyclo[2.2.2]octane
Description:
Labels:
CAS:31185-68-9
InChi Code:InChI=1/C10H11F7O3/c1-2-6-3-18-10(19-4-6,20-5-6)8(13,14)7(11,12)9(15,16)17/h2-5H2,1H3

Properties

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

ValueSource or prediction
2.29

experimental value

2.1515

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

Links to External Resources