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:138495-42-8
Name:1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane
Description:
Labels:
CAS:128664-89-1
InChi Code:InChI=1/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)1

Properties

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

ValueSource or prediction
1.703

experimental value

2.039319

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