Molecule ID: mol3657
SMILES: N#Cc1ccccn1
InChI: InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.26 | IUPAC digitized pKa | 1 » 0 |
| -0.26 | Datawarrior | 1 » 0 |
| -0.26 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| -0.26 | OCHEM | 1 » 0 |
| -0.26 | OCHEM | 1 » 0 |
| -0.26 | OCHEM | 1 » 0 |
| -0.26 | AttenGpKa training set | 1 » 0 |
| -0.26 | OCHEM | 1 » 0 |