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: | 1962 | |
|---|---|---|
| Name: | (2S)-2-chloro-1,1,2-trifluoro-1-methoxyethane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Chloro-1,1,2-trifluoroethyl methyl ether | |
| Labels: | ||
| CAS: | 425-87-6 | |
| InChi Code: | InChI=1S/C3H4ClF3O/c1-8-3(6,7)2(4)5/h2H,1H3/t2-/m1/s1 |
Properties
M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i
| Value | Source or prediction |
|---|---|
| 1.462 |
experimental value |
| 1.6831 |
Tab2.Model_14: PFC oral rat LD50 (Training set) |