Molecule ID: mol2334
SMILES: O=C(O)CCC(=O)O
InChI: InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.98 | IUPAC digitized pKa | 0 » -1 |
| 4.04 | QSARToolbox | 0 » -1 |
| 4.13 | AttenGpKa training set | 0 » -1 |
| 4.13 | QSARToolbox | 0 » -1 |
| 4.13 | QSARToolbox | 0 » -1 |
| 4.13 | QSARToolbox | 0 » -1 |
| 4.14 | IUPAC digitized pKa | 0 » -1 |
| 4.16 | QSARToolbox | 0 » -1 |
| 4.16 | QSARToolbox | 0 » -1 |
| 4.18 | QSARToolbox | 0 » -1 |
| 4.19 | QSARToolbox | 0 » -1 |
| 4.19 | QSARToolbox | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.21 | IUPAC digitized pKa | 0 » -1 |
| 4.21 | OCHEM | 0 » -1 |
| 4.21 | OCHEM | 0 » -1 |
| 4.21 | IUPAC digitized pKa | 0 » -1 |
| 4.21 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.21 | OCHEM | 0 » -1 |
| 4.21 | OCHEM | 0 » -1 |
| 4.21 | Hunt | 0 » -1 |
| 4.21 | OCHEM | 0 » -1 |
| 4.21 | QSARToolbox | 0 » -1 |
| 4.21 | QSARToolbox | 0 » -1 |
| 4.21 | QSARToolbox | 0 » -1 |
| 4.21 | QSARToolbox | 0 » -1 |
| 4.22 | QSARToolbox | 0 » -1 |
| 4.22 | IUPAC digitized pKa | 0 » -1 |
| 4.24 | QSARToolbox | 0 » -1 |
| 4.28 | QSARToolbox | 0 » -1 |
| 4.30 | QSARToolbox | 0 » -1 |
| 4.30 | QSARToolbox | 0 » -1 |
| 4.50 | OCHEM | 0 » -1 |
| 4.75 | IUPAC digitized pKa | -1 » -2 |
| 4.90 | OCHEM | -1 » -2 |
| 5.20 | IUPAC digitized pKa | -1 » -2 |
| 5.28 | QSARToolbox | -1 » -2 |
| 5.35 | QSARToolbox | -1 » -2 |
| 5.40 | QSARToolbox | -1 » -2 |
| 5.49 | AttenGpKa training set | -1 » -2 |
| 5.55 | QSARToolbox | -1 » -2 |
| 5.57 | QSARToolbox | -1 » -2 |
| 5.57 | QSARToolbox | -1 » -2 |
| 5.60 | QSARToolbox | -1 » -2 |
| 5.60 | QSARToolbox | -1 » -2 |
| 5.61 | QSARToolbox | -1 » -2 |
| 5.62 | QSARToolbox | -1 » -2 |
| 5.62 | QSARToolbox | -1 » -2 |
| 5.64 | OCHEM | -1 » -2 |
| 5.64 | OCHEM | -1 » -2 |
| 5.64 | IUPAC digitized pKa | -1 » -2 |
| 5.64 | QSARToolbox | -1 » -2 |
| 5.64 | QSARToolbox | -1 » -2 |
| 5.64 | QSARToolbox | -1 » -2 |
| 5.64 | QSARToolbox | -1 » -2 |
| 5.64 | QSARToolbox | -1 » -2 |
| 5.64 | OCHEM | -1 » -2 |
| 5.64 | Hunt | -1 » -2 |
| 5.65 | QSARToolbox | -1 » -2 |
| 5.66 | QSARToolbox | -1 » -2 |
| 5.66 | QSARToolbox | -1 » -2 |
| 5.67 | IUPAC digitized pKa | -1 » -2 |
| 5.68 | QSARToolbox | -1 » -2 |
| 5.70 | IUPAC digitized pKa | -1 » -2 |
| 5.72 | QSARToolbox | -1 » -2 |
| 5.72 | IUPAC digitized pKa | -1 » -2 |
| 5.73 | QSARToolbox | -1 » -2 |
| 5.73 | QSARToolbox | -1 » -2 |
| 5.82 | QSARToolbox | -1 » -2 |
| 6.17 | IUPAC digitized pKa | -1 » -2 |