Molecule ID: mol14731
SMILES: CN(C)CCCNc1ccnc2c([N+](=O)[O-])cccc12
InChI: InChI=1S/C14H18N4O2/c1-17(2)10-4-8-15-12-7-9-16-14-11(12)5-3-6-13(14)18(19)20/h3,5-7,9H,4,8,10H2,1-2H3,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.91 | OCHEM | 2 » 1 |
| 6.91 | QSARToolbox | 2 » 1 |
| 6.91 | Datawarrior | 2 » 1 |
| 6.91 | OCHEM | 2 » 1 |
| 6.91 | Baltruschat ChEMBL | 2 » 1 |