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:028523-86-6
Name:Sevoflurane
Description:
Labels:
CAS:28523-86-6
InChi Code:InChI=1/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2

Properties

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

ValueSource or prediction
1.04

experimental value

1.862

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
1.268

experimental value

1.497951

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

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