Molecule ID: mol18349
SMILES: CC(=O)Nc1ccc2nc(N(C)CCN(C)C)ccc2c1
InChI: InChI=1S/C16H22N4O/c1-12(21)17-14-6-7-15-13(11-14)5-8-16(18-15)20(4)10-9-19(2)3/h5-8,11H,9-10H2,1-4H3,(H,17,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.05 | OCHEM | 1 » 0 |
| 9.05 | Baltruschat ChEMBL | 1 » 0 |
| 10.18 | OCHEM | 1 » 0 |
| 10.18 | Baltruschat ChEMBL | 1 » 0 |