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: | 1939 | |
|---|---|---|
| Name: | (1,2,2-trifluoroethenyl)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: (Trifluorovinyl)benzene | |
| Labels: | ||
| CAS: | 447-14-3 | |
| InChi Code: | InChI=1S/C8H5F3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H |
Properties
M13.pLC50: Acute inhalation toxicity in rat as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 4.2959 |
experimental value |
| 4.8935 |
Tab2.Model_13: PFC inal. rat LC50 (Training set) |
M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i
| Value | Source or prediction |
|---|---|
| 1.801 |
experimental value |
| 1.9342 |
Tab2.Model_14: PFC oral rat LD50 (Training set) |