Molecule ID: mol21058
SMILES: O=C(/C=N\O)Nc1ccc[n+](CCCCCC[n+]2cccc(NC(=O)/C=N\O)c2)c1
InChI: InChI=1S/C20H24N6O4/c27-19(13-21-29)23-17-7-5-11-25(15-17)9-3-1-2-4-10-26-12-6-8-18(16-26)24-20(28)14-22-30/h5-8,11-16H,1-4,9-10H2,(H2-2,23,24,27,28,29,30)/p+2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.25 | OCHEM | 2 » 1 |
| 8.25 | Baltruschat ChEMBL | 2 » 1 |