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: | 1913 | |
|---|---|---|
| Name: | 1,1,1,2-tetrafluoroethane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: norflurane | |
| Labels: | ||
| CAS: | 811-97-2 | |
| InChi Code: | InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2 |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 1.778 |
experimental value |
| 2.214 |
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 |
|---|---|
| 1.8326 |
experimental value |
| 0.7786 |
Tab2.Model_13: PFC inal. rat LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1021324 | US EPA CompTox Dashboard |