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: | 670 | |
|---|---|---|
| Name: | 2-(2,3,6-trichlorophenyl)acetic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Fenac | |
| Labels: | ||
| CAS: | 85-34-7 | |
| InChi Code: | InChI=1S/C8H5Cl3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.55 |
experimental value |
| 2.4231 |
Tab2.Model_2: logKoc (Training set) |