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:000684-16-2
Name:Hexafluoroacetone
Description:
Labels:
CAS:684-16-2
InChi Code:InChI=1/C3F6O/c4-2(5,6)1(10)3(7,8)9

Properties

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

ValueSource or prediction
2.939

experimental value

2.251755

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

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