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: | 1062 | |
|---|---|---|
| Name: | ethyl 2-[2-chloro-N-(2,6-diethylphenyl)acetamido]acetate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Diethatyl-Ethyl | |
| Labels: | ||
| CAS: | 38727-55-8 | |
| InChi Code: | InChI=1S/C16H22ClNO3/c1-4-12-8-7-9-13(5-2)16(12)18(14(19)10-17)11-15(20)21-6-3/h7-9H,4-6,10-11H2,1-3H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.11 |
experimental value |
| 2.9252 |
Tab2.Model_2: logKoc (Training set) |