Molecule ID: mol15068
SMILES: CCOc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3
InChI: InChI=1S/C18H22N2O2/c1-2-22-13-6-7-17-15(12-13)18(20-8-10-21-11-9-20)14-4-3-5-16(14)19-17/h6-7,12H,2-5,8-11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.11 | Datawarrior | 1 » 0 |
| 7.11 | OCHEM | 1 » 0 |
| 7.11 | QSARToolbox | 1 » 0 |