Molecule ID: mol3773
SMILES: c1ccc(-c2ccncc2)cc1
InChI: InChI=1S/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.30 | Datawarrior | 1 » 0 |
| 5.30 | OCHEM | 1 » 0 |
| 5.35 | IUPAC digitized pKa | 1 » 0 |
| 5.35 | AttenGpKa training set | 1 » 0 |
| 5.55 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.55 | OCHEM | 1 » 0 |
| 5.55 | OCHEM | 1 » 0 |
| 5.55 | OCHEM | 1 » 0 |