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: | 692 | |
|---|---|---|
| Name: | methyl 2-(2,4,5-trichlorophenoxy)acetate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Silvex | |
| Labels: | ||
| CAS: | 93-72-1 | |
| InChi Code: | InChI=1S/C9H7Cl3O3/c1-14-9(13)4-15-8-3-6(11)5(10)2-7(8)12/h2-3H,4H2,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.52 |
experimental value |
| 2.7233 |
Tab2.Model_2: logKoc (Training set) |