Molecule ID: mol11398
SMILES: C=CCC1(C(C)C)C(=O)NC(=O)NC1=O
InChI: InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.54 | AttenGpKa training set | 0 » -1 |
| 7.73 | Baltruschat ChEMBL | 0 » -1 |
| 7.91 | QSARToolbox | 0 » -1 |
| 7.91 | QSARToolbox | 0 » -1 |
| 7.91 | IUPAC digitized pKa | 0 » -1 |
| 7.99 | QSARToolbox | 0 » -1 |
| 7.99 | QSARToolbox | 0 » -1 |
| 7.99 | QSARToolbox | 0 » -1 |
| 8.01 | OCHEM | 0 » -1 |
| 8.01 | OCHEM | 0 » -1 |
| 12.52 | QSARToolbox | 2 » 1 |