Molecule ID: mol9313
SMILES: C=C(CC(=O)O)C(=O)O
InChI: InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.61 | IUPAC digitized pKa | 0 » -1 |
| 3.63 | IUPAC digitized pKa | 0 » -1 |
| 3.68 | IUPAC digitized pKa | 0 » -1 |
| 3.85 | QSARToolbox | -1 » -2 |
| 3.85 | QSARToolbox | -1 » -2 |
| 3.85 | QSARToolbox | -1 » -2 |
| 3.85 | QSARToolbox | -1 » -2 |
| 3.87 | IUPAC digitized pKa | 0 » -1 |
| 3.88 | AttenGpKa training set | -1 » -2 |
| 3.92 | IUPAC digitized pKa | 0 » -1 |
| 3.95 | IUPAC digitized pKa | 0 » -1 |
| 3.95 | QSARToolbox | -1 » -2 |
| 4.05 | IUPAC digitized pKa | 0 » -1 |
| 5.00 | IUPAC digitized pKa | -1 » -2 |
| 5.08 | IUPAC digitized pKa | -1 » -2 |
| 5.14 | IUPAC digitized pKa | -1 » -2 |
| 5.40 | IUPAC digitized pKa | -1 » -2 |
| 5.45 | QSARToolbox | -1 » -2 |
| 5.45 | QSARToolbox | -1 » -2 |
| 5.50 | QSARToolbox | -1 » -2 |
| 5.51 | AttenGpKa training set | -1 » -2 |
| 5.54 | IUPAC digitized pKa | -1 » -2 |
| 5.73 | IUPAC digitized pKa | -1 » -2 |
| 5.82 | IUPAC digitized pKa | -1 » -2 |