Molecule ID: mol29611
SMILES: CC/C=C(\C)C1(CC)C(=O)NC(=O)NC1=O
InChI: InChI=1S/C11H16N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h6H,4-5H2,1-3H3,(H2,12,13,14,15,16)/b7-6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | AttenGpKa training set | 0 » -1 |
| 12.06 | QSARToolbox | -1 » -2 |