Molecule ID: mol1358
SMILES: CNc1ncccn1
InChI: InChI=1S/C5H7N3/c1-6-5-7-3-2-4-8-5/h2-4H,1H3,(H,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.79 | IUPAC digitized pKa | 1 » 0 |
| 3.79 | OCHEM | 1 » 0 |
| 3.79 | Hunt | 1 » 0 |
| 3.82 | OCHEM | 1 » 0 |
| 3.82 | QSARToolbox | 1 » 0 |
| 3.82 | Datawarrior | 1 » 0 |
| 3.82 | AttenGpKa training set | 1 » 0 |
| 3.99 | IUPAC digitized pKa | 1 » 0 |