Molecule ID: mol3626
SMILES: c1ccc(Cc2ccccn2)cc1
InChI: InChI=1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.13 | IUPAC digitized pKa | 1 » 0 |
| 5.13 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.13 | OCHEM | 1 » 0 |
| 5.13 | OCHEM | 1 » 0 |
| 5.13 | OCHEM | 1 » 0 |
| 5.13 | OCHEM | 1 » 0 |
| 5.13 | OCHEM | 1 » 0 |
| 5.13 | Baltruschat ChEMBL | 1 » 0 |
| 5.13 | AttenGpKa training set | 1 » 0 |
| 5.13 | QSARToolbox | 1 » 0 |