Molecule ID: mol3771
SMILES: c1ccc(-c2ccccn2)cc1
InChI: InChI=1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.48 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.48 | OCHEM | 1 » 0 |
| 4.48 | OCHEM | 1 » 0 |
| 4.48 | OCHEM | 1 » 0 |
| 4.48 | Baltruschat ChEMBL | 1 » 0 |
| 4.58 | AttenGpKa training set | 1 » 0 |
| 4.77 | IUPAC digitized pKa | 1 » 0 |