Molecule ID: mol33240
SMILES: C(CN1CCCC1)=C(c1ccccc1)c1ccccn1
InChI: InChI=1S/C18H20N2/c1-2-8-16(9-3-1)17(18-10-4-5-12-19-18)11-15-20-13-6-7-14-20/h1-5,8-12H,6-7,13-15H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.47 | QSARToolbox | 2 » 1 |
| 3.20 | OCHEM | 2 » 1 |
| 3.21 | QSARToolbox | 2 » 1 |
| 9.37 | QSARToolbox | 1 » 0 |
| 9.37 | OCHEM | 1 » 0 |
| 9.42 | QSARToolbox | 1 » 0 |