Molecule ID: mol15648
SMILES: CCc1cc(-c2ccccc2)nnc1NCCN1CCOCC1
InChI: InChI=1S/C18H24N4O/c1-2-15-14-17(16-6-4-3-5-7-16)20-21-18(15)19-8-9-22-10-12-23-13-11-22/h3-7,14H,2,8-13H2,1H3,(H,19,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.37 | Datawarrior | 2 » 1 |
| 7.08 | OCHEM | 1 » 0 |
| 7.08 | QSARToolbox | 1 » 0 |
| 7.08 | Datawarrior | 1 » 0 |