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:000337-28-0
Name:Pentafluoropropionaldehyde ethyl hemiacetal
Description:
Labels:
CAS:337-28-0
InChi Code:InChI=1/C5H7F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h3,11H,2H2,1H3

Properties

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

ValueSource or prediction
2.21

experimental value

2.27125

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