Molecule ID: mol399
SMILES: Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1
InChI: InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.25 | OCHEM | 1 » 0 |
| 9.25 | Settimo | 1 » 0 |
| 9.25 | Settimo | 1 » 0 |
| 9.69 | OCHEM | 1 » 0 |
| 9.69 | Baltruschat ChEMBL | 1 » 0 |