Molecule ID: mol15063
SMILES: c1ccc(-c2ccc3ncc(CN4CCOCC4)n3n2)cc1
InChI: InChI=1S/C17H18N4O/c1-2-4-14(5-3-1)16-6-7-17-18-12-15(21(17)19-16)13-20-8-10-22-11-9-20/h1-7,12H,8-11,13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.91 | Datawarrior | 2 » 1 |
| 2.91 | QSARToolbox | 2 » 1 |
| 6.21 | Datawarrior | 1 » 0 |
| 6.21 | OCHEM | 1 » 0 |