Molecule ID: mol20517
SMILES: NC(=O)c1cc[n+](Cc2cccc(C[n+]3ccccc3/C=N/O)c2)cc1
InChI: InChI=1S/C20H18N4O2/c21-20(25)18-7-10-23(11-8-18)14-16-4-3-5-17(12-16)15-24-9-2-1-6-19(24)13-22-26/h1-13H,14-15H2,(H-,21,25)/p+2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.69 | OCHEM | 2 » 1 |
| 7.69 | Baltruschat ChEMBL | 2 » 1 |