10967/179 - QDB Compounds

QsarDB Repository

Bhhatarai, B.; Gramatica, P. Per- and Polyfluoro Toxicity (LC 50 Inhalation) Study in Rat and Mouse Using QSAR Modeling. Chem. Res. Toxicol. 2010, 23, 528–539.

Compound

ID:028523-86-6
Name:1,1,1,3,3,3-Hexafluoro-2-(fluoromethoxy)propane
Description:The original non-IUPAC name was: Sevoflurane
Labels:
CAS:28523-86-6
InChi Code:InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2

Properties

pLC50mouse: Mice acute inhalation toxicity as pLC50 [-log(mmol/m^3)]

ValueSource or prediction
0.849

experimental value

1.18989

Eq1: Acute inhalation toxicity in mice of perfluorinated compounds (Training set)

pLC50rat: Rat acute inhalation toxicity as pLC50 [-log(mmol/m^3)]

ValueSource or prediction
0.8418

experimental value

2.18619

Eq2: Acute inhalation toxicity in rats of perfluorinated compounds. (Training set)

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