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:000754-91-6
Name:Perfluorooctanesulfonamide
Description:
Labels:
CAS:754-91-6
InChi Code:InChI=1/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)/f/h26H2

Properties

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

ValueSource or prediction
3.463

experimental value

2.76884

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

Links to External Resources