Molecule ID: mol4265
SMILES: Cc1nc(C)nc(N)n1
InChI: InChI=1S/C5H8N4/c1-3-7-4(2)9-5(6)8-3/h1-2H3,(H2,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.56 | QSARToolbox | 1 » 0 |
| 3.56 | IUPAC digitized pKa | 1 » 0 |
| 3.56 | OCHEM | 1 » 0 |
| 3.60 | OCHEM | 1 » 0 |
| 3.60 | QSARToolbox | 1 » 0 |
| 3.60 | Datawarrior | 1 » 0 |
| 3.60 | AttenGpKa training set | 1 » 0 |