Molecule ID: mol11615
SMILES: C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O
InChI: InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.54 | Baltruschat ChEMBL | 0 » -1 |
| 7.68 | QSARToolbox | 0 » -1 |
| 7.68 | IUPAC digitized pKa | 0 » -1 |
| 7.79 | QSARToolbox | 0 » -1 |
| 7.79 | QSARToolbox | 0 » -1 |
| 12.36 | QSARToolbox | -1 » -2 |