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: | 870 | |
|---|---|---|
| Name: | 1-[(E)-2-phenyldiazen-1-yl]naphthalen-2-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-Phenylazo-2-naphthalenol | |
| Labels: | ||
| CAS: | 842-07-9 | |
| InChi Code: | InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H/b18-17+ |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.58 |
experimental value |
| 3.6067 |
Tab2.Model_2: logKoc (Training set) |