Molecule ID: mol3974
SMILES: Nc1cnccn1
InChI: InChI=1S/C4H5N3/c5-4-3-6-1-2-7-4/h1-3H,(H2,5,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.93 | IUPAC digitized pKa | 1 » 0 |
| 2.93 | QSARToolbox | 1 » 0 |
| 3.00 | OCHEM | 1 » 0 |
| 3.07 | IUPAC digitized pKa | 1 » 0 |
| 3.14 | Datawarrior | 1 » 0 |
| 3.14 | AttenGpKa training set | 1 » 0 |
| 3.14 | OCHEM | 1 » 0 |
| 3.14 | QSARToolbox | 1 » 0 |
| 3.70 | QSARToolbox | 1 » 0 |