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: | 638 | |
|---|---|---|
| Name: | N,N-dimethyl-4-[(E)-2-phenyldiazen-1-yl]aniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Dimethylaminoazobenzene | |
| Labels: | ||
| CAS: | 60-11-7 | |
| InChi Code: | InChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3/b16-15+ |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.87 |
experimental value |
| 3.4655 |
Tab2.Model_2: logKoc (Training set) |