Molecule ID: mol14733
SMILES: CN(C)CCN(C)c1ccnc2cccc([N+](=O)[O-])c12
InChI: InChI=1S/C14H18N4O2/c1-16(2)9-10-17(3)12-7-8-15-11-5-4-6-13(14(11)12)18(19)20/h4-8H,9-10H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.86 | Datawarrior | 2 » 1 |
| 4.86 | OCHEM | 2 » 1 |
| 4.86 | Baltruschat ChEMBL | 2 » 1 |
| 4.86 | OCHEM | 2 » 1 |
| 4.86 | QSARToolbox | 2 » 1 |