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: | 1048 | |
|---|---|---|
| Name: | 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Acetochlor | |
| Labels: | ||
| CAS: | 34256-82-1 | |
| InChi Code: | InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.22 |
experimental value |
| 2.7802 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8023848 | US EPA CompTox Dashboard |