Molecule ID: mol20521
SMILES: NC(=O)c1ccc[n+](Cc2ccccc2C[n+]2ccccc2/C=N/O)c1
InChI: InChI=1S/C20H18N4O2/c21-20(25)18-8-5-10-23(14-18)13-16-6-1-2-7-17(16)15-24-11-4-3-9-19(24)12-22-26/h1-12,14H,13,15H2,(H-,21,25)/p+2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.79 | OCHEM | 2 » 1 |
| 7.79 | Baltruschat ChEMBL | 2 » 1 |