Molecule ID: mol6385
SMILES: c1ccc(Cc2ccncc2)cc1
InChI: InChI=1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.59 | IUPAC digitized pKa | 1 » 0 |
| 5.59 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.59 | OCHEM | 1 » 0 |
| 5.59 | OCHEM | 1 » 0 |
| 5.59 | OCHEM | 1 » 0 |
| 5.59 | AttenGpKa training set | 1 » 0 |
| 5.59 | QSARToolbox | 1 » 0 |