Molecule ID: mol14730
SMILES: CN(C)CCCNc1c([N+](=O)[O-])cnc2ccccc12
InChI: InChI=1S/C14H18N4O2/c1-17(2)9-5-8-15-14-11-6-3-4-7-12(11)16-10-13(14)18(19)20/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.43 | OCHEM | 2 » 1 |
| 4.43 | QSARToolbox | 2 » 1 |
| 4.43 | Datawarrior | 2 » 1 |
| 4.43 | OCHEM | 2 » 1 |
| 4.43 | Baltruschat ChEMBL | 2 » 1 |