Molecule ID: mol15589
SMILES: c1ccc(-c2cc(-c3ccccc3)c(NCCN3CCOCC3)nn2)cc1
InChI: InChI=1S/C22H24N4O/c1-3-7-18(8-4-1)20-17-21(19-9-5-2-6-10-19)24-25-22(20)23-11-12-26-13-15-27-16-14-26/h1-10,17H,11-16H2,(H,23,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.36 | Datawarrior | 2 » 1 |
| 3.42 | QSARToolbox | 2 » 1 |
| 6.81 | OCHEM | 1 » 0 |
| 6.81 | Datawarrior | 1 » 0 |