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: | 886 | |
|---|---|---|
| Name: | N-{[(S)-ethanesulfinyl]methyl}-N-ethylaniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Cycloate | |
| Labels: | ||
| CAS: | 1134-23-2 | |
| InChi Code: | InChI=1S/C11H17NOS/c1-3-12(10-14(13)4-2)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3/t14-/m0/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.54 |
experimental value |
| 2.3989 |
Tab2.Model_2: logKoc (Training set) |