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:000335-76-2
Name:Perfluorodecanoic acid
Description:
Labels:
CAS:335-76-2
InChi Code:InChI=1/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)/f/h30H

Properties

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

ValueSource or prediction
3.67

experimental value

4.3118

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

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

ValueSource or prediction
3.955

experimental value

3.703112

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

Links to External Resources