Molecule ID: mol9131
SMILES: O=C(O)CC(O)C(=O)O
InChI: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.77 | IUPAC digitized pKa | 0 » -1 |
| 3.22 | IUPAC digitized pKa | 0 » -1 |
| 3.23 | IUPAC digitized pKa | 0 » -1 |
| 3.28 | IUPAC digitized pKa | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 3.44 | QSARToolbox | 0 » -1 |
| 3.44 | QSARToolbox | 0 » -1 |
| 3.44 | IUPAC digitized pKa | 0 » -1 |
| 3.45 | IUPAC digitized pKa | 0 » -1 |
| 3.45 | IUPAC digitized pKa | 0 » -1 |
| 3.45 | IUPAC digitized pKa | 0 » -1 |
| 3.45 | IUPAC digitized pKa | 0 » -1 |
| 3.45 | IUPAC digitized pKa | 0 » -1 |
| 3.46 | IUPAC digitized pKa | 0 » -1 |
| 3.46 | AttenGpKa training set | 0 » -1 |
| 3.46 | QSARToolbox | 0 » -1 |
| 3.46 | QSARToolbox | 0 » -1 |
| 3.46 | QSARToolbox | 0 » -1 |
| 3.47 | IUPAC digitized pKa | 0 » -1 |
| 3.48 | IUPAC digitized pKa | 0 » -1 |
| 3.49 | IUPAC digitized pKa | 0 » -1 |
| 3.50 | OCHEM | 0 » -1 |
| 3.50 | OCHEM | 0 » -1 |
| 3.52 | IUPAC digitized pKa | 0 » -1 |
| 3.54 | IUPAC digitized pKa | 0 » -1 |
| 4.44 | IUPAC digitized pKa | -1 » -2 |
| 4.50 | OCHEM | -1 » -2 |
| 4.70 | QSARToolbox | -1 » -2 |
| 4.72 | IUPAC digitized pKa | -1 » -2 |
| 4.77 | IUPAC digitized pKa | -1 » -2 |
| 4.78 | IUPAC digitized pKa | -1 » -2 |
| 4.80 | QSARToolbox | -1 » -2 |
| 5.05 | AttenGpKa training set | -1 » -2 |
| 5.10 | IUPAC digitized pKa | -1 » -2 |
| 5.10 | IUPAC digitized pKa | -1 » -2 |
| 5.10 | IUPAC digitized pKa | -1 » -2 |
| 5.10 | IUPAC digitized pKa | -1 » -2 |
| 5.10 | IUPAC digitized pKa | -1 » -2 |
| 5.10 | QSARToolbox | -1 » -2 |
| 5.11 | IUPAC digitized pKa | -1 » -2 |
| 5.11 | IUPAC digitized pKa | -1 » -2 |
| 5.11 | QSARToolbox | -1 » -2 |
| 5.12 | IUPAC digitized pKa | -1 » -2 |
| 5.12 | IUPAC digitized pKa | -1 » -2 |
| 5.13 | IUPAC digitized pKa | -1 » -2 |
| 5.14 | QSARToolbox | -1 » -2 |
| 5.15 | IUPAC digitized pKa | -1 » -2 |
| 5.15 | QSARToolbox | -1 » -2 |
| 5.21 | IUPAC digitized pKa | -1 » -2 |
| 14.38 | AttenGpKa training set | -2 » -3 |
| 14.38 | QSARToolbox | -2 » -3 |