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:1885
Name:2,2-dichloro-1,1,1-trifluoroethane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,2-dichloro-1,1,1-trifluoroethane
Labels:
CAS:306-83-2
InChi Code:InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H

Properties

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

ValueSource or prediction
0.315

experimental value

1.7494

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

M13.pLC50: Acute inhalation toxicity in rat as log(1/LC50) [-log(mmol/m^3)] i

ValueSource or prediction
0.6793

experimental value

1.1351

Tab2.Model_13: PFC inal. rat LC50 (Training set)

Links to External Resources