Molecule ID: mol15025
SMILES: Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1
InChI: InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | Datawarrior | 2 » 1 |
| 4.00 | QSARToolbox | 2 » 1 |
| 7.05 | Datawarrior | 1 » 0 |
| 7.05 | OCHEM | 1 » 0 |