Molecule ID: mol15631
SMILES: Cc1cc(-c2ccccc2)nn2cc(CN3CCOCC3)nc12
InChI: InChI=1S/C18H20N4O/c1-14-11-17(15-5-3-2-4-6-15)20-22-13-16(19-18(14)22)12-21-7-9-23-10-8-21/h2-6,11,13H,7-10,12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.50 | Datawarrior | 2 » 1 |
| 1.50 | QSARToolbox | 2 » 1 |
| 6.30 | Datawarrior | 1 » 0 |
| 6.30 | OCHEM | 1 » 0 |