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: | 1918 | |
|---|---|---|
| Name: | 2-chloro-1,1,3,3-tetrafluoropropane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Chloro-1,1,3,3-tetrafluoropropane | |
| Labels: | ||
| CAS: | 19041-02-2 | |
| InChi Code: | InChI=1S/C3H3ClF4/c4-1(2(5)6)3(7)8/h1-3H |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 0.269 |
experimental value |
| -0.0942 |
Tab2.Model_12: PFC inal. mouse LC50 (Training set) |