Molecule ID: mol18893
SMILES: O=[N+]([O-])c1nccn1CCCNc1nc(-c2ccccc2)nc2ccccc12
InChI: InChI=1S/C20H18N6O2/c27-26(28)20-22-12-14-25(20)13-6-11-21-19-16-9-4-5-10-17(16)23-18(24-19)15-7-2-1-3-8-15/h1-5,7-10,12,14H,6,11,13H2,(H,21,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.06 | Baltruschat ChEMBL | 1 » 0 |