Molecule ID: mol15077
SMILES: Cc1cnc2ccc(C)c([N+](=O)[O-])c2c1NCCCN(C)C
InChI: InChI=1S/C16H22N4O2/c1-11-6-7-13-14(16(11)20(21)22)15(12(2)10-18-13)17-8-5-9-19(3)4/h6-7,10H,5,8-9H2,1-4H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.07 | Datawarrior | 2 » 1 |
| 6.07 | Baltruschat ChEMBL | 2 » 1 |
| 6.07 | QSARToolbox | 2 » 1 |
| 6.07 | OCHEM | 2 » 1 |