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:026799-34-8
Name:2-((2-(Dimethylamino)ethyl)amino)-1,1,1,3,3,3-hexafluoro-2-propanol
Description:
Labels:
CAS:26799-34-8
InChi Code:InChI=1/C7H12F6N2O/c1-15(2)4-3-14-5(16,6(8,9)10)7(11,12)13/h14,16H,3-4H2,1-2H3

Properties

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

ValueSource or prediction
2.93

experimental value

2.8566

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