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: | 1921 | |
|---|---|---|
| Name: | 1,1-dibromo-1-chloro-2,2,2-trifluoroethane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,1-Dibromo-1-chloro-2,2,2-trifluoroethane | |
| Labels: | ||
| CAS: | 29256-79-9 | |
| InChi Code: | InChI=1S/C2Br2ClF3/c3-1(4,5)2(6,7)8 |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 4.099 |
experimental value |
| 3.1703 |
Tab2.Model_12: PFC inal. mouse LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6073231 | US EPA CompTox Dashboard |