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: | 903 | |
|---|---|---|
| Name: | 1,4-dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Dimethyl 2,3,5,6-Tetrachloroterephthalate | |
| Labels: | ||
| CAS: | 1861-32-1 | |
| InChi Code: | InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.67 |
experimental value |
| 2.6507 |
Tab2.Model_2: logKoc (Training set) |