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:089427-28-1
Name:5,7-Dibromo-4,6-difluoro-2-(trifluoromethyl)benzimidazole
Description:
Labels:
CAS:89427-28-1
InChi Code:InChI=1/C8HBr2F5N2/c9-1-3(11)2(10)5-6(4(1)12)17-7(16-5)8(13,14)15/h(H,16,17)/f/h16H

Properties

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

ValueSource or prediction
4.72

experimental value

4.84701

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

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