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:067205-67-8
Name:2-Ethylamino-3,5,6-trifluoroterephthalonitrile
Description:
Labels:
CAS:67205-67-8
InChi Code:InChI=1/C10H6F3N3/c1-2-16-10-6(4-15)8(12)7(11)5(3-14)9(10)13/h16H,2H2,1H3

Properties

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

ValueSource or prediction
2.98

experimental value

2.82955

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

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