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: | 1872 | |
|---|---|---|
| Name: | bromotrifluoromethane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: bromotrifluoromethane | |
| Labels: | ||
| CAS: | 75-63-8 | |
| InChi Code: | InChI=1S/CBrF3/c2-1(3,4)5 |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 2.592 |
experimental value |
| 1.7892 |
Tab2.Model_12: PFC inal. mouse LC50 (Training set) |
M13.pLC50: Acute inhalation toxicity in rat as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 0.2486 |
experimental value |
| 0.7248 |
Tab2.Model_13: PFC inal. rat LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5026415 | US EPA CompTox Dashboard |