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:000376-53-4
Name:Octafluorohexanedinitrile
Description:
Labels:
CAS:376-53-4
InChi Code:InChI=1/C6F8N2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16

Properties

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

ValueSource or prediction
2.11

experimental value

2.70215

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

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

ValueSource or prediction
1.937

experimental value

1.452906

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

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