Molecule ID: mol12953
SMILES: Cn1nnc(CC(=O)O)n1
InChI: InChI=1S/C4H6N4O2/c1-8-6-3(5-7-8)2-4(9)10/h2H2,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.44 | Datawarrior | 0 » -1 |
| 3.44 | AttenGpKa training set | 0 » -1 |
| 3.44 | QSARToolbox | 0 » -1 |
| 3.44 | OCHEM | 0 » -1 |