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: | 1898 | |
|---|---|---|
| Name: | methyl 2,2,3,3,3-pentafluoropropanoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Methyl pentafluoropropionate | |
| Labels: | ||
| CAS: | 378-75-6 | |
| InChi Code: | InChI=1S/C4H3F5O2/c1-11-2(10)3(5,6)4(7,8)9/h1H3 |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 3.889 |
experimental value |
| 4.4772 |
Tab2.Model_12: PFC inal. mouse LC50 (Training set) |