Molecule ID: mol12783
SMILES: CCOc1ccc2[nH]cnc2c1
InChI: InChI=1S/C9H10N2O/c1-2-12-7-3-4-8-9(5-7)11-6-10-8/h3-6H,2H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.57 | Datawarrior | 1 » 0 |
| 5.57 | OCHEM | 1 » 0 |
| 5.60 | AttenGpKa training set | 1 » 0 |