Molecule ID: mol17957
SMILES: O/N=C/c1cc[n+](Cc2cccc(C[n+]3ccc(/C=N/O)cc3)c2)cc1
InChI: InChI=1S/C20H18N4O2/c25-21-13-17-4-8-23(9-5-17)15-19-2-1-3-20(12-19)16-24-10-6-18(7-11-24)14-22-26/h1-14H,15-16H2/p+2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.14 | OCHEM | 1 » 0 |
| 7.14 | Baltruschat ChEMBL | 1 » 0 |
| 8.10 | OCHEM | 1 » 0 |
| 8.10 | Baltruschat ChEMBL | 1 » 0 |