Molecule ID: mol20522
SMILES: NC(=O)c1cc[n+](Cc2ccccc2C[n+]2ccccc2/C=N/O)cc1
InChI: InChI=1S/C20H18N4O2/c21-20(25)16-8-11-23(12-9-16)14-17-5-1-2-6-18(17)15-24-10-4-3-7-19(24)13-22-26/h1-13H,14-15H2,(H-,21,25)/p+2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.77 | OCHEM | 2 » 1 |
| 7.77 | Baltruschat ChEMBL | 2 » 1 |