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: | 1021 | |
|---|---|---|
| Name: | N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Butachlor | |
| Labels: | ||
| CAS: | 23184-66-9 | |
| InChi Code: | InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.08 |
experimental value |
| 3.2803 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3034402 | US EPA CompTox Dashboard |