10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

ID:1921
Name:1,1-dibromo-1-chloro-2,2,2-trifluoroethane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,1-Dibromo-1-chloro-2,2,2-trifluoroethane
Labels:
CAS:29256-79-9
InChi Code:InChI=1S/C2Br2ClF3/c3-1(4,5)2(6,7)8

Properties

M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i

ValueSource or prediction
4.099

experimental value

3.1703

Tab2.Model_12: PFC inal. mouse LC50 (Training set)

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