Molecule ID: mol3993
SMILES: CNc1cnccn1
InChI: InChI=1S/C5H7N3/c1-6-5-4-7-2-3-8-5/h2-4H,1H3,(H,6,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.39 | IUPAC digitized pKa | 1 » 0 |
| 3.39 | OCHEM | 1 » 0 |
| 3.39 | AttenGpKa training set | 1 » 0 |
| 3.39 | QSARToolbox | 1 » 0 |