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:061988-37-2
Name:4-(1,1,2,2-Tetrafluoroethoxy)benzene-1,3-diamine
Description:
Labels:
CAS:61988-37-2
InChi Code:InChI=1/C8H8F4N2O/c9-7(10)8(11,12)15-6-2-1-4(13)3-5(6)14/h1-3,7H,13-14H2

Properties

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

ValueSource or prediction
2.32

experimental value

2.499

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
2.321

experimental value

1.905309

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

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