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:001478-61-1
Name:4,4'-(Hexafluoroisopropylidene)diphenol
Description:
Labels:
CAS:1478-61-1
InChi Code:InChI=1/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H

Properties

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

ValueSource or prediction
1.995

experimental value

1.90208

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

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