Molecule ID: mol17963
SMILES: NC(=O)c1cc[n+](Cc2cccc(C[n+]3ccc(/C=N/O)cc3)c2)cc1
InChI: InChI=1S/C20H18N4O2/c21-20(25)19-6-10-24(11-7-19)15-18-3-1-2-17(12-18)14-23-8-4-16(5-9-23)13-22-26/h1-13H,14-15H2,(H-,21,25)/p+2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.01 | OCHEM | 2 » 1 |
| 8.01 | Baltruschat ChEMBL | 2 » 1 |
| 8.02 | OCHEM | 2 » 1 |
| 8.02 | Baltruschat ChEMBL | 2 » 1 |
| 8.11 | OCHEM | 2 » 1 |
| 8.11 | Baltruschat ChEMBL | 2 » 1 |