Molecule ID: mol15029
SMILES: Cc1cc(-c2ccccc2)n[n+](CCN2CCOCC2)c1N
InChI: InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-21(17(14)18)8-7-20-9-11-22-12-10-20/h2-6,13,18H,7-12H2,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.84 | Datawarrior | 2 » 1 |
| 4.84 | OCHEM | 2 » 1 |