Molecule ID: mol15426
SMILES: c1ccc(-c2ccc(NCCN3CCOCC3)nn2)cc1
InChI: InChI=1S/C16H20N4O/c1-2-4-14(5-3-1)15-6-7-16(19-18-15)17-8-9-20-10-12-21-13-11-20/h1-7H,8-13H2,(H,17,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.74 | Datawarrior | 2 » 1 |
| 6.74 | QSARToolbox | 1 » 0 |
| 6.74 | OCHEM | 1 » 0 |
| 6.74 | Datawarrior | 1 » 0 |