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:1907
Name:3,3-dichloro-1,1,1-trifluoropropane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 3,3-Dichloro-1,1,1-trifluoropropane
Labels:
CAS:460-69-5
InChi Code:InChI=1S/C3H3Cl2F3/c4-2(5)1-3(6,7)8/h2H,1H2

Properties

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

ValueSource or prediction
0.842

experimental value

1.5357

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

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