Molecule ID: mol12370
SMILES: CNc1ccccn1
InChI: InChI=1S/C6H8N2/c1-7-6-4-2-3-5-8-6/h2-5H,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.40 | QSARToolbox | 1 » 0 |
| 7.13 | Datawarrior | 1 » 0 |
| 7.13 | OCHEM | 1 » 0 |
| 7.13 | QSARToolbox | 1 » 0 |
| 7.85 | AttenGpKa training set | 1 » 0 |