Molecule ID: mol21786
SMILES: O=C(O)C=CC(=O)O
InChI: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.91 | QSARToolbox | 0 » -1 |
| 1.92 | QSARToolbox | 0 » -1 |
| 1.92 | QSARToolbox | 0 » -1 |
| 1.93 | QSARToolbox | 0 » -1 |
| 1.99 | QSARToolbox | 0 » -1 |
| 2.00 | QSARToolbox | 0 » -1 |
| 3.02 | QSARToolbox | -1 » -2 |
| 3.02 | QSARToolbox | -1 » -2 |
| 3.03 | QSARToolbox | -1 » -2 |
| 3.03 | Organic Oxygen Acids and Nitrogen Bases | -1 » -2 |
| 3.10 | QSARToolbox | -1 » -2 |
| 3.10 | QSARToolbox | -1 » -2 |
| 3.30 | OCHEM | -1 » -2 |
| 3.31 | OCHEM | -1 » -2 |
| 3.40 | QSARToolbox | -1 » -2 |
| 4.08 | OCHEM | -1 » -2 |
| 4.38 | QSARToolbox | -1 » -2 |
| 4.38 | QSARToolbox | -1 » -2 |
| 4.45 | QSARToolbox | -1 » -2 |
| 4.51 | QSARToolbox | -1 » -2 |
| 5.60 | QSARToolbox | -1 » -2 |
| 6.23 | QSARToolbox | -1 » -2 |
| 6.26 | QSARToolbox | -1 » -2 |
| 6.27 | QSARToolbox | -1 » -2 |
| 6.32 | QSARToolbox | -1 » -2 |