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: | 1887 | |
|---|---|---|
| Name: | 1,2-dichloro-3,3,4,4,5,5,6,6-octafluorocyclohex-1-ene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Octafluorodichlorocyclohexene | |
| Labels: | ||
| CAS: | 336-19-6 | |
| InChi Code: | InChI=1S/C6Cl2F8/c7-1-2(8)4(11,12)6(15,16)5(13,14)3(1,9)10 |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 5.511 |
experimental value |
| 5.2591 |
Tab2.Model_12: PFC inal. mouse LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID30187297 | US EPA CompTox Dashboard |