Molecule ID: mol21860
SMILES: COc1ccc2cccnc2c1
InChI: InChI=1S/C10H9NO/c1-12-9-5-4-8-3-2-6-11-10(8)7-9/h2-7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.03 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.03 | OCHEM | 1 » 0 |
| 5.03 | OCHEM | 1 » 0 |
| 5.03 | AttenGpKa training set | 1 » 0 |