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: | 796 | |
|---|---|---|
| Name: | 12-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 13H-Dibenzo[a,i]carbazole | |
| Labels: | ||
| CAS: | 239-64-5 | |
| InChi Code: | InChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-18-12-10-14-6-2-4-8-16(14)20(18)21-19(15)17/h1-12,21H |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 6.02 |
experimental value |
| 5.2781 |
Tab2.Model_2: logKoc (Training set) |