Molecule ID: mol20513
SMILES: NC(=O)c1ccc[n+](Cc2cccc(C[n+]3ccc(/C=N/O)cc3)c2)c1
InChI: InChI=1S/C20H18N4O2/c21-20(25)19-5-2-8-24(15-19)14-18-4-1-3-17(11-18)13-23-9-6-16(7-10-23)12-22-26/h1-12,15H,13-14H2,(H-,21,25)/p+2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.95 | OCHEM | 2 » 1 |
| 7.95 | Baltruschat ChEMBL | 2 » 1 |