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:026675-46-7
Name:Isoflurane
Description:
Labels:
CAS:26675-46-7
InChi Code:InChI=1/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H

Properties

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

ValueSource or prediction
1.38

experimental value

1.25685

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
1.411

experimental value

1.336302

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

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