Molecule ID: mol10467
SMILES: CCOC(=O)C(CC)C(C)=O
InChI: InChI=1S/C8H14O3/c1-4-7(6(3)9)8(10)11-5-2/h7H,4-5H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.70 | QSARToolbox | 0 » -1 |
| 12.70 | AttenGpKa training set | 0 » -1 |
| 12.74 | QSARToolbox | 0 » -1 |
| 12.74 | Datawarrior | 0 » -1 |
| 12.74 | OCHEM | 0 » -1 |
| 12.87 | IUPAC digitized pKa | 0 » -1 |
| 13.00 | IUPAC digitized pKa | 0 » -1 |