Molecule ID: mol14978
SMILES: CCCCNc1ccnc2cccc([N+](=O)[O-])c12
InChI: InChI=1S/C13H15N3O2/c1-2-3-8-14-11-7-9-15-10-5-4-6-12(13(10)11)16(17)18/h4-7,9H,2-3,8H2,1H3,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.18 | OCHEM | 1 » 0 |
| 7.18 | QSARToolbox | 1 » 0 |
| 7.18 | Datawarrior | 1 » 0 |