10967/170 - QDB Compounds

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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:001546-95-8
Name:Dodecafluoroheptanoic acid
Description:
Labels:
CAS:1546-95-8
InChi Code:InChI=1/C7H2F12O2/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1H,(H,20,21)/f/h20H

Properties

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

ValueSource or prediction
2.381

experimental value

2.194705

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

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