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: | 727 | |
|---|---|---|
| Name: | (E)-diphenyldiazene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Azobenzene | |
| Labels: | ||
| CAS: | 103-33-3 | |
| InChi Code: | InChI=1S/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H/b14-13+ |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.22 |
experimental value |
| 3.0987 |
Tab2.Model_2: logKoc (Training set) |