Molecule ID: mol3772
SMILES: c1ccc(-c2cccnc2)cc1
InChI: InChI=1S/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.80 | OCHEM | 1 » 0 |
| 4.80 | OCHEM | 1 » 0 |
| 4.80 | OCHEM | 1 » 0 |
| 4.87 | AttenGpKa training set | 1 » 0 |