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:031185-66-7
Name:1-Ethyl-4-(pentafluoroethyl)-2,6,7-trioxabicyclo[2.2.2]octane
Description:
Labels:
CAS:31185-66-7
InChi Code:InChI=1/C9H11F5O3/c1-2-7-15-3-6(4-16-7,5-17-7)8(10,11)9(12,13)14/h2-5H2,1H3

Properties

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

ValueSource or prediction
2.21

experimental value

2.11475

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

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