Molecule ID: mol15374
SMILES: Cc1cc2nccc(NCCCN(C)C)c2cc1[N+](=O)[O-]
InChI: InChI=1S/C15H20N4O2/c1-11-9-14-12(10-15(11)19(20)21)13(5-7-17-14)16-6-4-8-18(2)3/h5,7,9-10H,4,6,8H2,1-3H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.38 | Datawarrior | 2 » 1 |
| 7.38 | OCHEM | 2 » 1 |
| 7.38 | Baltruschat ChEMBL | 2 » 1 |
| 7.38 | OCHEM | 2 » 1 |
| 7.38 | QSARToolbox | 2 » 1 |