Molecule ID: mol8791
SMILES: CC(C)=NNC(N)=O
InChI: InChI=1S/C4H9N3O/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.33 | IUPAC digitized pKa | 1 » 0 |
| 1.33 | AttenGpKa training set | 1 » 0 |
| 2.50 | AttenGpKa training set | 1 » 0 |