Molecule ID: mol15371
SMILES: Cc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)ccnc12
InChI: InChI=1S/C15H20N4O2/c1-11-5-6-13(19(20)21)14-12(7-9-17-15(11)14)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 |
|---|---|---|
| 6.84 | Datawarrior | 2 » 1 |
| 6.84 | OCHEM | 2 » 1 |
| 6.84 | Baltruschat ChEMBL | 2 » 1 |
| 6.84 | QSARToolbox | 2 » 1 |
| 6.84 | OCHEM | 2 » 1 |