Molecule ID: mol9122
SMILES: O=C(O)/C=C/C(=O)O
InChI: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.02 | QSARToolbox | -1 » -2 |
| 3.02 | QSARToolbox | -1 » -2 |
| 3.02 | QSARToolbox | -1 » -2 |
| 3.02 | QSARToolbox | -1 » -2 |
| 3.03 | QSARToolbox | -1 » -2 |
| 3.03 | QSARToolbox | -1 » -2 |
| 3.10 | IUPAC digitized pKa | 0 » -1 |
| 3.10 | OCHEM | -1 » -2 |
| 3.10 | OCHEM | -1 » -2 |
| 3.15 | AttenGpKa training set | -1 » -2 |
| 3.20 | QSARToolbox | -1 » -2 |
| 3.56 | IUPAC digitized pKa | 0 » -1 |
| 4.32 | QSARToolbox | -1 » -2 |
| 4.32 | QSARToolbox | -1 » -2 |
| 4.38 | QSARToolbox | -1 » -2 |
| 4.38 | QSARToolbox | -1 » -2 |
| 4.44 | QSARToolbox | -1 » -2 |
| 4.44 | QSARToolbox | -1 » -2 |
| 4.44 | AttenGpKa training set | -1 » -2 |
| 4.45 | QSARToolbox | -1 » -2 |
| 4.45 | QSARToolbox | -1 » -2 |
| 4.60 | IUPAC digitized pKa | -1 » -2 |
| 5.03 | IUPAC digitized pKa | -1 » -2 |