Molecule ID: mol15735
SMILES: CCOc1c(C#N)cnc2ccccc12
InChI: InChI=1S/C12H10N2O/c1-2-15-12-9(7-13)8-14-11-6-4-3-5-10(11)12/h3-6,8H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.18 | Datawarrior | 1 » 0 |
| 3.18 | QSARToolbox | 1 » 0 |
| 3.18 | OCHEM | 1 » 0 |