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: | 837 | |
|---|---|---|
| Name: | 2-chlorobenzene-1-carboximidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Chlorobenzamide | |
| Labels: | ||
| CAS: | 609-66-5 | |
| InChi Code: | InChI=1S/C7H6ClNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.51 |
experimental value |
| 1.718 |
Tab2.Model_2: logKoc (Training set) |