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: | 637 | |
|---|---|---|
| Name: | 4-[(E)-2-phenyldiazen-1-yl]aniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: p-Phenylazoaniline | |
| Labels: | ||
| CAS: | 60-09-3 | |
| InChi Code: | InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2/b15-14+ |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.79 |
experimental value |
| 2.9099 |
Tab2.Model_2: logKoc (Training set) |