Molecule ID: mol21059
SMILES: O=C(/C=N\O)Nc1ccc[n+](CCCCCCC[n+]2cccc(NC(=O)/C=N\O)c2)c1
InChI: InChI=1S/C21H26N6O4/c28-20(14-22-30)24-18-8-6-12-26(16-18)10-4-2-1-3-5-11-27-13-7-9-19(17-27)25-21(29)15-23-31/h6-9,12-17H,1-5,10-11H2,(H2-2,24,25,28,29,30,31)/p+2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.22 | OCHEM | 2 » 1 |
| 8.22 | Baltruschat ChEMBL | 2 » 1 |