Molecule ID: mol20511
SMILES: NC(=O)c1ccc[n+](Cc2ccc(C[n+]3ccccc3/C=N/O)cc2)c1
InChI: InChI=1S/C20H18N4O2/c21-20(25)18-4-3-10-23(15-18)13-16-6-8-17(9-7-16)14-24-11-2-1-5-19(24)12-22-26/h1-12,15H,13-14H2,(H-,21,25)/p+2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.72 | OCHEM | 2 » 1 |
| 7.72 | Baltruschat ChEMBL | 2 » 1 |