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: | 1908 | |
|---|---|---|
| Name: | 3,3,3-trifluoroprop-1-ene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3,3,3-trifluoropropylene | |
| Labels: | ||
| CAS: | 677-21-4 | |
| InChi Code: | InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2 |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 1.739 |
experimental value |
| 2.4932 |
Tab2.Model_12: PFC inal. mouse LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9041287 | US EPA CompTox Dashboard |