Molecule ID: mol15014
SMILES: CN1CCC(n2nc(-c3ccccc3)c(Cc3ccccc3)c2O)CC1
InChI: InChI=1S/C22H25N3O/c1-24-14-12-19(13-15-24)25-22(26)20(16-17-8-4-2-5-9-17)21(23-25)18-10-6-3-7-11-18/h2-11,19,26H,12-16H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.73 | Datawarrior | 1 » 0 |
| 6.73 | OCHEM | 1 » 0 |
| 9.13 | Datawarrior | 0 » -1 |
| 9.13 | OCHEM | 0 » -1 |