Molecule ID: mol15368
SMILES: Cc1nc2ccccc2c(NCCCN(C)C)c1[N+](=O)[O-]
InChI: InChI=1S/C15H20N4O2/c1-11-15(19(20)21)14(16-9-6-10-18(2)3)12-7-4-5-8-13(12)17-11/h4-5,7-8H,6,9-10H2,1-3H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.35 | OCHEM | 2 » 1 |
| 5.35 | QSARToolbox | 2 » 1 |
| 5.35 | Datawarrior | 2 » 1 |
| 5.35 | OCHEM | 2 » 1 |
| 5.35 | Baltruschat ChEMBL | 2 » 1 |