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:030184-88-4
Name:4-methyl-5-phenyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine
Description:
Labels:
CAS:30184-88-4
InChi Code:InChI=1/C12H11F6NO/c1-7-9(8-5-3-2-4-6-8)20-10(19-7,11(13,14)15)12(16,17)18/h2-7,9,19H,1H3

Properties

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

ValueSource or prediction
3.18

experimental value

2.8273

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