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:031185-67-8
Name:1-(Heptafluoropropyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
Description:
Labels:
CAS:31185-67-8
InChi Code:InChI=1/C9H9F7O3/c1-5-2-17-9(18-3-5,19-4-5)7(12,13)6(10,11)8(14,15)16/h2-4H2,1H3

Properties

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

ValueSource or prediction
2.27

experimental value

2.078

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

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