Molecule ID: mol15607
SMILES: Cc1nc2c(C)ccc([N+](=O)[O-])c2c(NCCCN(C)C)c1C
InChI: InChI=1S/C17H24N4O2/c1-11-7-8-14(21(22)23)15-16(11)19-13(3)12(2)17(15)18-9-6-10-20(4)5/h7-8H,6,9-10H2,1-5H3,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.67 | Datawarrior | 2 » 1 |
| 6.67 | QSARToolbox | 2 » 1 |
| 6.67 | OCHEM | 2 » 1 |