Molecule ID: mol1364
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 |
|---|---|---|
| 1.30 | QSARToolbox | 0 » -1 |
| 1.30 | QSARToolbox | 0 » -1 |
| 1.38 | QSARToolbox | 0 » -1 |
| 1.38 | QSARToolbox | 0 » -1 |
| 1.80 | QSARToolbox | 0 » -1 |
| 1.85 | AttenGpKa training set | 0 » -1 |
| 1.89 | QSARToolbox | 0 » -1 |
| 1.89 | QSARToolbox | 0 » -1 |
| 1.93 | OCHEM | 0 » -1 |
| 1.93 | OCHEM | 0 » -1 |
| 2.00 | OCHEM | 0 » -1 |
| 2.00 | Hunt | 0 » -1 |
| 2.54 | QSARToolbox | 0 » -1 |
| 2.54 | QSARToolbox | 0 » -1 |
| 2.95 | QSARToolbox | -1 » -2 |
| 2.95 | QSARToolbox | -1 » -2 |
| 5.93 | QSARToolbox | -1 » -2 |
| 5.93 | QSARToolbox | -1 » -2 |
| 5.95 | QSARToolbox | -1 » -2 |
| 5.95 | QSARToolbox | -1 » -2 |
| 6.06 | AttenGpKa training set | -1 » -2 |
| 6.10 | QSARToolbox | -1 » -2 |
| 6.10 | QSARToolbox | -1 » -2 |
| 6.11 | QSARToolbox | -1 » -2 |
| 6.11 | QSARToolbox | -1 » -2 |
| 6.18 | QSARToolbox | -1 » -2 |
| 6.18 | QSARToolbox | -1 » -2 |
| 6.23 | OCHEM | -1 » -2 |
| 6.23 | OCHEM | -1 » -2 |
| 6.24 | QSARToolbox | -1 » -2 |
| 6.24 | QSARToolbox | -1 » -2 |
| 6.25 | OCHEM | -1 » -2 |
| 6.25 | Hunt | -1 » -2 |
| 6.28 | QSARToolbox | -1 » -2 |
| 6.28 | QSARToolbox | -1 » -2 |
| 6.29 | QSARToolbox | -1 » -2 |
| 6.29 | QSARToolbox | -1 » -2 |