Molecule ID: mol18557
SMILES: CCC(C)C1(CC)C(=O)NC(=O)NC1=O
InChI: InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.89 | Baltruschat ChEMBL | 0 » -1 |
| 7.90 | AttenGpKa training set | 0 » -1 |
| 12.62 | QSARToolbox | 2 » 1 |