Molecule ID: mol20512
SMILES: NC(=O)c1cc[n+](Cc2ccc(C[n+]3ccccc3/C=N/O)cc2)cc1
InChI: InChI=1S/C20H18N4O2/c21-20(25)18-8-11-23(12-9-18)14-16-4-6-17(7-5-16)15-24-10-2-1-3-19(24)13-22-26/h1-13H,14-15H2,(H-,21,25)/p+2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.76 | OCHEM | 2 » 1 |
| 7.76 | Baltruschat ChEMBL | 2 » 1 |