Molecule ID: mol4147
SMILES: Cc1cc(N)nc(N)n1
InChI: InChI=1S/C5H8N4/c1-3-2-4(6)9-5(7)8-3/h2H,1H3,(H4,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.60 | QSARToolbox | 1 » 0 |
| 7.60 | QSARToolbox | 1 » 0 |
| 7.60 | IUPAC digitized pKa | 1 » 0 |
| 7.62 | OCHEM | 1 » 0 |
| 7.63 | IUPAC digitized pKa | 1 » 0 |
| 7.63 | QSARToolbox | 1 » 0 |
| 7.65 | Datawarrior | 1 » 0 |
| 7.65 | OCHEM | 1 » 0 |
| 7.67 | AttenGpKa training set | 1 » 0 |
| 7.70 | QSARToolbox | 1 » 0 |
| 7.70 | QSARToolbox | 1 » 0 |
| 7.70 | IUPAC digitized pKa | 1 » 0 |