Molecule ID: mol14732
SMILES: CN(C)CCCNc1ccnc2cccc([N+](=O)[O-])c12
InChI: InChI=1S/C14H18N4O2/c1-17(2)10-4-8-15-12-7-9-16-11-5-3-6-13(14(11)12)18(19)20/h3,5-7,9H,4,8,10H2,1-2H3,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.39 | QSARToolbox | 2 » 1 |
| 6.39 | OCHEM | 2 » 1 |
| 6.39 | Datawarrior | 2 » 1 |
| 6.39 | OCHEM | 2 » 1 |
| 6.39 | Baltruschat ChEMBL | 2 » 1 |
| 6.39 | Baltruschat ChEMBL | 2 » 1 |