Molecule ID: mol17510
SMILES: Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O
InChI: InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.30 | Baltruschat ChEMBL | 1 » 0 |
| 7.40 | OCHEM | 1 » 0 |