Molecule ID: mol9576
SMILES: CC(=O)C(C)C(C)=O
InChI: InChI=1S/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.21 | AttenGpKa training set | 0 » -1 |
| 10.70 | QSARToolbox | 0 » -1 |
| 10.70 | IUPAC digitized pKa | 0 » -1 |
| 10.74 | IUPAC digitized pKa | 0 » -1 |
| 10.79 | Datawarrior | 0 » -1 |
| 10.79 | OCHEM | 0 » -1 |
| 10.80 | IUPAC digitized pKa | 0 » -1 |
| 10.80 | QSARToolbox | 0 » -1 |
| 10.82 | QSARToolbox | 0 » -1 |
| 10.87 | IUPAC digitized pKa | 0 » -1 |
| 10.87 | OCHEM | 0 » -1 |
| 10.87 | OCHEM | 0 » -1 |
| 10.95 | IUPAC digitized pKa | 0 » -1 |
| 11.06 | IUPAC digitized pKa | 0 » -1 |