Molecule ID: mol31799
SMILES: C=CCC1(CC)C(=O)NC(=O)NC1=O
InChI: InChI=1S/C9H12N2O3/c1-3-5-9(4-2)6(12)10-8(14)11-7(9)13/h3H,1,4-5H2,2H3,(H2,10,11,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.89 | OCHEM | 0 » -1 |
| 7.89 | OCHEM | 0 » -1 |
| 11.98 | QSARToolbox | -1 » -2 |