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: | 1909 | |
|---|---|---|
| Name: | 1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopent-1-ene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,2-Dichlorohexafluorocyclopentene | |
| Labels: | ||
| CAS: | 706-79-6 | |
| InChi Code: | InChI=1S/C5Cl2F6/c6-1-2(7)4(10,11)5(12,13)3(1,8)9 |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 5.067 |
experimental value |
| 5.0908 |
Tab2.Model_12: PFC inal. mouse LC50 (Training set) |
M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i
| Value | Source or prediction |
|---|---|
| 2.942 |
experimental value |
| 2.8804 |
Tab2.Model_14: PFC oral rat LD50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0061038 | US EPA CompTox Dashboard |