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: | 1069 | |
|---|---|---|
| Name: | methyl (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Diclofop-Methyl | |
| Labels: | ||
| CAS: | 51338-27-3 | |
| InChi Code: | InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3/t10-/m0/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 4.2 |
experimental value |
| 4.0203 |
Tab2.Model_2: logKoc (Training set) |