10967/170 - QDB Compounds

QsarDB Repository

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:000360-53-2
Name:1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene
Description:
Labels:
CAS:360-53-2
InChi Code:InChI=1/C5H3F7O/c1-13-3(6)2(4(7,8)9)5(10,11)12/h1H3

Properties

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

ValueSource or prediction
2.3

experimental value

2.3872

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
2.297

experimental value

2.222406

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

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