Molecule ID: mol29517
SMILES: CCC1C(=O)NC(=O)NC1=O
InChI: InChI=1S/C6H8N2O3/c1-2-3-4(9)7-6(11)8-5(3)10/h3H,2H2,1H3,(H2,7,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.92 | QSARToolbox | 0 » -1 |
| 4.21 | AttenGpKa training set | 0 » -1 |
| 12.80 | QSARToolbox | -1 » -2 |