Molecule ID: mol17960
SMILES: NC(=O)c1cc[n+](CCCC[n+]2ccc(/C=N/O)cc2)cc1
InChI: InChI=1S/C16H18N4O2/c17-16(21)15-5-11-20(12-6-15)8-2-1-7-19-9-3-14(4-10-19)13-18-22/h3-6,9-13H,1-2,7-8H2,(H-,17,21)/p+2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.28 | OCHEM | 2 » 1 |
| 8.28 | Baltruschat ChEMBL | 2 » 1 |
| 8.55 | OCHEM | 2 » 1 |
| 8.55 | Baltruschat ChEMBL | 2 » 1 |