Molecule ID: mol17958
SMILES: O/N=C/c1cc[n+](Cc2ccc(C[n+]3ccc(/C=N/O)cc3)cc2)cc1
InChI: InChI=1S/C20H18N4O2/c25-21-13-17-5-9-23(10-6-17)15-19-1-2-20(4-3-19)16-24-11-7-18(8-12-24)14-22-26/h1-14H,15-16H2/p+2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.58 | OCHEM | 1 » 0 |
| 7.58 | Baltruschat ChEMBL | 1 » 0 |
| 8.30 | OCHEM | 1 » 0 |
| 8.30 | Baltruschat ChEMBL | 1 » 0 |