Molecule ID: mol11093
SMILES: CCC1(C(C)C)C(=O)NC(=O)NC1=O
InChI: InChI=1S/C9H14N2O3/c1-4-9(5(2)3)6(12)10-8(14)11-7(9)13/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.01 | IUPAC digitized pKa | 0 » -1 |
| 8.01 | AttenGpKa training set | 0 » -1 |
| 8.01 | QSARToolbox | 0 » -1 |
| 8.01 | QSARToolbox | 0 » -1 |
| 8.14 | OCHEM | 0 » -1 |
| 8.14 | OCHEM | 0 » -1 |
| 12.59 | QSARToolbox | 2 » 1 |