Molecule ID: mol14782
SMILES: Cc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3
InChI: InChI=1S/C17H20N2O/c1-12-5-6-16-14(11-12)17(19-7-9-20-10-8-19)13-3-2-4-15(13)18-16/h5-6,11H,2-4,7-10H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.18 | OCHEM | 1 » 0 |
| 7.18 | QSARToolbox | 1 » 0 |
| 7.18 | Datawarrior | 1 » 0 |