Molecule ID: mol15028
SMILES: C[n+]1nc(-c2ccccc2)ccc1NCCN1CCOCC1
InChI: InChI=1S/C17H22N4O/c1-20-17(18-9-10-21-11-13-22-14-12-21)8-7-16(19-20)15-5-3-2-4-6-15/h2-8H,9-14H2,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.31 | OCHEM | 2 » 1 |
| 5.31 | Datawarrior | 2 » 1 |