Molecule ID: mol16167
SMILES: CC(=O)NC(=N)N
InChI: InChI=1S/C3H7N3O/c1-2(7)6-3(4)5/h1H3,(H4,4,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.60 | Baltruschat ChEMBL | 1 » 0 |
| 8.26 | OCHEM | 1 » 0 |
| 8.26 | OCHEM | 1 » 0 |
| 8.33 | QSARToolbox | 1 » 0 |
| 8.33 | AttenGpKa training set | 1 » 0 |