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: | 850 | |
|---|---|---|
| Name: | tetrachlorobenzene-1,2-dicarboxylic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Tetrachlorophthalate | |
| Labels: | ||
| CAS: | 632-58-6 | |
| InChi Code: | InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.3 |
experimental value |
| 2.2787 |
Tab2.Model_2: logKoc (Training set) |