Molecule ID: mol15333
SMILES: Cc1ccccc1C(=NCCCN(C)C)c1ccc2ccccc2c1
InChI: InChI=1S/C23H26N2/c1-18-9-4-7-12-22(18)23(24-15-8-16-25(2)3)21-14-13-19-10-5-6-11-20(19)17-21/h4-7,9-14,17H,8,15-16H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.54 | QSARToolbox | 2 » 1 |
| 4.54 | Datawarrior | 2 » 1 |
| 8.90 | OCHEM | 1 » 0 |
| 8.90 | Datawarrior | 1 » 0 |