Molecule ID: mol11092
SMILES: CCC1(CC)C(=O)NC(=O)N(C)C1=O
InChI: InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.01 | QSARToolbox | 0 » -1 |
| 8.30 | QSARToolbox | 0 » -1 |
| 8.31 | AttenGpKa training set | 0 » -1 |
| 8.45 | QSARToolbox | 0 » -1 |