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: | 1907 | |
|---|---|---|
| Name: | 3,3-dichloro-1,1,1-trifluoropropane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3,3-Dichloro-1,1,1-trifluoropropane | |
| Labels: | ||
| CAS: | 460-69-5 | |
| InChi Code: | InChI=1S/C3H3Cl2F3/c4-2(5)1-3(6,7)8/h2H,1H2 |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 0.842 |
experimental value |
| 1.5357 |
Tab2.Model_12: PFC inal. mouse LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID50196684 | US EPA CompTox Dashboard |