Molecule ID: mol21060
SMILES: O=C(/C=N/O)Nc1ccc[n+](Cc2ccccc2C[n+]2cccc(NC(=O)/C=N/O)c2)c1
InChI: InChI=1S/C22H20N6O4/c29-21(11-23-31)25-19-7-3-9-27(15-19)13-17-5-1-2-6-18(17)14-28-10-4-8-20(16-28)26-22(30)12-24-32/h1-12,15-16H,13-14H2,(H2-2,25,26,29,30,31,32)/p+2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.10 | OCHEM | 2 » 1 |
| 8.10 | Baltruschat ChEMBL | 2 » 1 |