Molecule ID: mol3762
SMILES: C=Cc1ccc(C)nc1
InChI: InChI=1S/C8H9N/c1-3-8-5-4-7(2)9-6-8/h3-6H,1H2,2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.67 | IUPAC digitized pKa | 1 » 0 |
| 5.67 | Datawarrior | 1 » 0 |
| 5.67 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.67 | OCHEM | 1 » 0 |
| 5.67 | OCHEM | 1 » 0 |
| 5.67 | OCHEM | 1 » 0 |
| 5.67 | AttenGpKa training set | 1 » 0 |
| 5.67 | QSARToolbox | 1 » 0 |
| 5.67 | QSARToolbox | 1 » 0 |
| 5.67 | OCHEM | 1 » 0 |