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: | 1922 | |
|---|---|---|
| Name: | 1,1,2,2,3,3,4,4-octafluoropentan-1-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Octafluoro-1-pentanol | |
| Labels: | ||
| CAS: | 39660-55-4 | |
| InChi Code: | InChI=1S/C5H4F8O/c1-2(6,7)3(8,9)4(10,11)5(12,13)14/h14H,1H3 |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 4.344 |
experimental value |
| 4.3075 |
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 |
|---|---|
| 2.32 |
experimental value |
| 2.2684 |
Tab2.Model_14: PFC oral rat LD50 (Training set) |