Molecule ID: mol15367
SMILES: Cc1ccc2nccc(NCCCN(C)C)c2c1[N+](=O)[O-]
InChI: InChI=1S/C15H20N4O2/c1-11-5-6-12-14(15(11)19(20)21)13(7-9-17-12)16-8-4-10-18(2)3/h5-7,9H,4,8,10H2,1-3H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.15 | Datawarrior | 2 » 1 |
| 6.15 | OCHEM | 2 » 1 |
| 6.15 | Baltruschat ChEMBL | 2 » 1 |
| 6.15 | QSARToolbox | 2 » 1 |
| 6.15 | OCHEM | 2 » 1 |