Molecule ID: mol29328
SMILES: CC(C)C(NC(N)=O)C(=O)O
InChI: InChI=1S/C6H12N2O3/c1-3(2)4(5(9)10)8-6(7)11/h3-4H,1-2H3,(H,9,10)(H3,7,8,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.56 | QSARToolbox | 0 » -1 |
| 3.56 | AttenGpKa training set | 0 » -1 |