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: | 1080 | |
|---|---|---|
| Name: | methyl (2S)-2-[N-(2,6-dimethylphenyl)-2-methoxyacetamido]propanoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Metalaxyl | |
| Labels: | ||
| CAS: | 57837-19-1 | |
| InChi Code: | InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m0/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.63 |
experimental value |
| 2.4465 |
Tab2.Model_2: logKoc (Training set) |