Molecule ID: mol17964
SMILES: NC(=O)c1cc[n+](Cc2ccccc2C[n+]2ccc(/C=N/O)cc2)cc1
InChI: InChI=1S/C20H18N4O2/c21-20(25)17-7-11-24(12-8-17)15-19-4-2-1-3-18(19)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 |
|---|---|---|
| 7.94 | OCHEM | 2 » 1 |
| 7.94 | Baltruschat ChEMBL | 2 » 1 |
| 7.97 | OCHEM | 2 » 1 |
| 7.97 | Baltruschat ChEMBL | 2 » 1 |
| 8.13 | OCHEM | 2 » 1 |
| 8.13 | Baltruschat ChEMBL | 2 » 1 |