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: | 693 | |
|---|---|---|
| Name: | 2-(2,4,5-trichlorophenoxy)acetic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,4,5-T acid | |
| Labels: | ||
| CAS: | 93-76-5 | |
| InChi Code: | InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.86 |
experimental value |
| 2.5832 |
Tab2.Model_2: logKoc (Training set) |