Molecule ID: mol17962
SMILES: NC(=O)c1cc[n+](Cc2ccc(C[n+]3ccc(/C=N/O)cc3)cc2)cc1
InChI: InChI=1S/C20H18N4O2/c21-20(25)19-7-11-24(12-8-19)15-18-3-1-17(2-4-18)14-23-9-5-16(6-10-23)13-22-26/h1-13H,14-15H2,(H-,21,25)/p+2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.09 | OCHEM | 2 » 1 |
| 8.09 | Baltruschat ChEMBL | 2 » 1 |
| 8.10 | OCHEM | 2 » 1 |
| 8.10 | Baltruschat ChEMBL | 2 » 1 |
| 8.25 | OCHEM | 2 » 1 |
| 8.25 | Baltruschat ChEMBL | 2 » 1 |