Molecule ID: mol14796
SMILES: c1ccc(Cc2cc(-c3ccccc3)nnc2NCCN2CCOCC2)cc1
InChI: InChI=1S/C23H26N4O/c1-3-7-19(8-4-1)17-21-18-22(20-9-5-2-6-10-20)25-26-23(21)24-11-12-27-13-15-28-16-14-27/h1-10,18H,11-17H2,(H,24,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | Datawarrior | 2 » 1 |
| 6.95 | OCHEM | 1 » 0 |
| 6.95 | QSARToolbox | 1 » 0 |
| 6.95 | Datawarrior | 1 » 0 |