Molecule ID: mol5558
SMILES: CC(=O)CC(C)=O
InChI: InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.69 | QSARToolbox | 0 » -1 |
| 8.73 | QSARToolbox | 0 » -1 |
| 8.76 | IUPAC digitized pKa | 0 » -1 |
| 8.78 | IUPAC digitized pKa | 0 » -1 |
| 8.80 | QSARToolbox | 0 » -1 |
| 8.82 | QSARToolbox | 0 » -1 |
| 8.84 | IUPAC digitized pKa | 0 » -1 |
| 8.85 | Datawarrior | 0 » -1 |
| 8.85 | OCHEM | 0 » -1 |
| 8.86 | QSARToolbox | 0 » -1 |
| 8.86 | IUPAC digitized pKa | 0 » -1 |
| 8.88 | IUPAC digitized pKa | 0 » -1 |
| 8.90 | QSARToolbox | 0 » -1 |
| 8.91 | IUPAC digitized pKa | 0 » -1 |
| 8.92 | QSARToolbox | 0 » -1 |
| 8.93 | IUPAC digitized pKa | 0 » -1 |
| 8.93 | QSARToolbox | 0 » -1 |
| 8.94 | IUPAC digitized pKa | 0 » -1 |
| 8.95 | QSARToolbox | 0 » -1 |
| 8.95 | QSARToolbox | 0 » -1 |
| 8.95 | IUPAC digitized pKa | 0 » -1 |
| 8.95 | IUPAC digitized pKa | 0 » -1 |
| 8.96 | AttenGpKa training set | 0 » -1 |
| 8.97 | IUPAC digitized pKa | 0 » -1 |
| 9.00 | QSARToolbox | 0 » -1 |
| 9.01 | QSARToolbox | 0 » -1 |
| 9.02 | IUPAC digitized pKa | 0 » -1 |
| 9.02 | QSARToolbox | 0 » -1 |
| 9.03 | IUPAC digitized pKa | 0 » -1 |
| 9.09 | IUPAC digitized pKa | 0 » -1 |
| 9.10 | IUPAC digitized pKa | 0 » -1 |
| 9.80 | QSARToolbox | 0 » -1 |
| 10.10 | QSARToolbox | 0 » -1 |