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: | 1892 | |
|---|---|---|
| Name: | 1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Bis(pentafluoroethyl) ether | |
| Labels: | ||
| CAS: | 358-21-4 | |
| InChi Code: | InChI=1S/C4F10O/c5-1(6,7)3(11,12)15-4(13,14)2(8,9)10 |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 3.157 |
experimental value |
| 2.8322 |
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 |
|---|---|
| 1.104 |
experimental value |
| 1.9342 |
Tab2.Model_14: PFC oral rat LD50 (Training set) |