Molecule ID: mol11418
SMILES: CCCCC1(CC)C(=O)NC(=O)NC1=O
InChI: InChI=1S/C10H16N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.81 | OCHEM | 0 » -1 |
| 7.92 | IUPAC digitized pKa | 0 » -1 |
| 7.92 | QSARToolbox | 0 » -1 |
| 7.98 | AttenGpKa training set | 0 » -1 |
| 7.98 | QSARToolbox | 0 » -1 |