Molecule ID: mol5392
SMILES: NC(N)=NCC(=O)O
InChI: InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.82 | QSARToolbox | 1 » 0 |
| 2.82 | IUPAC digitized pKa | 1 » 0 |
| 2.98 | AttenGpKa training set | 1 » 0 |
| 10.80 | AttenGpKa training set | 0 » -1 |