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:107349-85-9
Name:N-(2-Bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxamide
Description:
Labels:
CAS:107349-85-9
InChi Code:InChI=1/C13H4BrF11N2O3/c14-5-3-4(27(29)30)1-2-6(5)26-7(28)8(15)9(16,17)11(20,21)13(24,25)12(22,23)10(8,18)19/h1-3H,(H,26,28)/f/h26H

Properties

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

ValueSource or prediction
4.72

experimental value

4.3558

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

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