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:1890
Name:1,1,1,2,2-pentafluoroethane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: pentafluoroethane
Labels:
CAS:354-33-6
InChi Code:InChI=1S/C2HF5/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
1.642

experimental value

1.1926

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
1.6154

experimental value

0.4333

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

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