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: | 1912 | |
|---|---|---|
| Name: | 3,3,4,4,5,5,6,6-octafluorocyclohex-1-ene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1H,2H-Octafluorocyclohexene | |
| Labels: | ||
| CAS: | 775-40-6 | |
| InChi Code: | InChI=1S/C6H2F8/c7-3(8)1-2-4(9,10)6(13,14)5(3,11)12/h1-2H |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 5.363 |
experimental value |
| 3.9155 |
Tab2.Model_12: PFC inal. mouse LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID80228205 | US EPA CompTox Dashboard |