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: | 1096 | |
|---|---|---|
| Name: | (5S)-2-[(1E)-1-(ethoxyimino)butyl]-5-[(2S)-2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Sethoxydim | |
| Labels: | ||
| CAS: | 74051-80-2 | |
| InChi Code: | InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3/b18-14+/t12-,13-/m0/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2 |
experimental value |
| 3.292 |
Tab2.Model_2: logKoc (Training set) |