Molecule ID: mol3795
SMILES: C=Cc1ccncc1
InChI: InChI=1S/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.62 | QSARToolbox | 1 » 0 |
| 5.62 | QSARToolbox | 1 » 0 |
| 5.62 | OCHEM | 1 » 0 |
| 5.62 | IUPAC digitized pKa | 1 » 0 |
| 5.62 | Datawarrior | 1 » 0 |
| 5.62 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.62 | OCHEM | 1 » 0 |
| 5.62 | OCHEM | 1 » 0 |
| 5.62 | OCHEM | 1 » 0 |
| 5.62 | OCHEM | 1 » 0 |
| 5.62 | OCHEM | 1 » 0 |
| 5.62 | AttenGpKa training set | 1 » 0 |
| 5.64 | QSARToolbox | 1 » 0 |