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: | 1920 | |
|---|---|---|
| Name: | 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: sevoflurane | |
| Labels: | ||
| CAS: | 28523-86-6 | |
| InChi Code: | InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2 |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 0.849 |
experimental value |
| 2.1337 |
Tab2.Model_12: PFC inal. mouse LC50 (Training set) |
M13.pLC50: Acute inhalation toxicity in rat as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 0.8418 |
experimental value |
| 1.3703 |
Tab2.Model_13: PFC inal. rat LC50 (Training set) |
M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i
| Value | Source or prediction |
|---|---|
| 1.268 |
experimental value |
| 1.5517 |
Tab2.Model_14: PFC oral rat LD50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8046614 | US EPA CompTox Dashboard |