Molecule ID: mol721
SMILES: CCCC(=O)O
InChI: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.83 | QSARToolbox | 0 » -1 |
| 4.80 | IUPAC digitized pKa | 0 » -1 |
| 4.80 | IUPAC digitized pKa | 0 » -1 |
| 4.80 | Datawarrior | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |
| 4.81 | OCHEM | 0 » -1 |
| 4.82 | IUPAC digitized pKa | 0 » -1 |
| 4.82 | IUPAC digitized pKa | 0 » -1 |
| 4.82 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.82 | OCHEM | 0 » -1 |
| 4.82 | OCHEM | 0 » -1 |
| 4.82 | OCHEM | 0 » -1 |
| 4.82 | Hunt | 0 » -1 |
| 4.82 | OCHEM | 0 » -1 |
| 4.82 | OCHEM | 0 » -1 |
| 4.82 | OCHEM | 0 » -1 |
| 4.82 | OCHEM | 0 » -1 |
| 4.82 | AttenGpKa training set | 0 » -1 |
| 4.82 | QSARToolbox | 0 » -1 |
| 4.82 | QSARToolbox | 0 » -1 |
| 4.82 | QSARToolbox | 0 » -1 |
| 4.82 | QSARToolbox | 0 » -1 |
| 4.82 | QSARToolbox | 0 » -1 |
| 4.82 | QSARToolbox | 0 » -1 |
| 4.82 | QSARToolbox | 0 » -1 |
| 4.82 | QSARToolbox | 0 » -1 |
| 4.82 | QSARToolbox | 0 » -1 |
| 4.83 | QSARToolbox | 0 » -1 |
| 4.83 | IUPAC digitized pKa | 0 » -1 |
| 4.91 | IUPAC digitized pKa | 0 » -1 |
| 4.92 | QSARToolbox | 0 » -1 |
| 4.92 | QSARToolbox | 0 » -1 |
| 4.92 | QSARToolbox | 0 » -1 |
| 4.92 | QSARToolbox | 0 » -1 |
| 5.09 | IUPAC digitized pKa | 0 » -1 |
| 5.34 | IUPAC digitized pKa | 0 » -1 |
| 5.70 | IUPAC digitized pKa | 0 » -1 |
| 6.00 | IUPAC digitized pKa | 0 » -1 |
| 6.35 | QSARToolbox | 0 » -1 |
| 6.35 | QSARToolbox | 0 » -1 |