Molecule ID: mol747
SMILES: O=C(O)CCCC(=O)O
InChI: InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.77 | OCHEM | 0 » -1 |
| 3.77 | OCHEM | 0 » -1 |
| 4.09 | IUPAC digitized pKa | 0 » -1 |
| 4.14 | IUPAC digitized pKa | 0 » -1 |
| 4.18 | QSARToolbox | 0 » -1 |
| 4.18 | QSARToolbox | 0 » -1 |
| 4.30 | IUPAC digitized pKa | 0 » -1 |
| 4.32 | QSARToolbox | 0 » -1 |
| 4.32 | QSARToolbox | 0 » -1 |
| 4.34 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.34 | OCHEM | 0 » -1 |
| 4.34 | Hunt | 0 » -1 |
| 4.34 | QSARToolbox | 0 » -1 |
| 4.34 | QSARToolbox | 0 » -1 |
| 4.34 | QSARToolbox | 0 » -1 |
| 4.34 | QSARToolbox | 0 » -1 |
| 4.34 | QSARToolbox | 0 » -1 |
| 4.34 | QSARToolbox | 0 » -1 |
| 4.34 | QSARToolbox | 0 » -1 |
| 4.34 | QSARToolbox | 0 » -1 |
| 4.35 | QSARToolbox | 0 » -1 |
| 4.35 | IUPAC digitized pKa | 0 » -1 |
| 4.36 | QSARToolbox | 0 » -1 |
| 4.38 | AttenGpKa training set | 0 » -1 |
| 4.39 | QSARToolbox | 0 » -1 |
| 4.42 | IUPAC digitized pKa | 0 » -1 |
| 4.43 | QSARToolbox | 0 » -1 |
| 4.43 | QSARToolbox | 0 » -1 |
| 4.64 | OCHEM | 0 » -1 |
| 4.71 | OCHEM | 0 » -1 |
| 4.84 | IUPAC digitized pKa | -1 » -2 |
| 5.01 | IUPAC digitized pKa | -1 » -2 |
| 5.31 | QSARToolbox | -1 » -2 |
| 5.31 | QSARToolbox | -1 » -2 |
| 5.40 | IUPAC digitized pKa | -1 » -2 |
| 5.41 | QSARToolbox | -1 » -2 |
| 5.41 | QSARToolbox | -1 » -2 |
| 5.41 | OCHEM | -1 » -2 |
| 5.41 | Hunt | -1 » -2 |
| 5.42 | QSARToolbox | -1 » -2 |
| 5.42 | QSARToolbox | -1 » -2 |
| 5.42 | QSARToolbox | -1 » -2 |
| 5.44 | IUPAC digitized pKa | -1 » -2 |
| 5.45 | AttenGpKa training set | -1 » -2 |
| 5.46 | QSARToolbox | -1 » -2 |
| 5.46 | QSARToolbox | -1 » -2 |
| 5.50 | QSARToolbox | -1 » -2 |
| 5.50 | QSARToolbox | -1 » -2 |
| 5.61 | QSARToolbox | -1 » -2 |
| 5.61 | QSARToolbox | -1 » -2 |
| 5.65 | IUPAC digitized pKa | -1 » -2 |