Molecule ID: mol15076
SMILES: Cc1cc(C)c2nccc(NCCCN(C)C)c2c1[N+](=O)[O-]
InChI: InChI=1S/C16H22N4O2/c1-11-10-12(2)16(20(21)22)14-13(6-8-18-15(11)14)17-7-5-9-19(3)4/h6,8,10H,5,7,9H2,1-4H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.37 | QSARToolbox | 2 » 1 |
| 6.37 | OCHEM | 2 » 1 |
| 6.37 | Datawarrior | 2 » 1 |