Molecule ID: mol9957
SMILES: O=C(O)c1cccc(O)c1O
InChI: InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.70 | QSARToolbox | 0 » -1 |
| 2.80 | QSARToolbox | 0 » -1 |
| 2.82 | AttenGpKa training set | 0 » -1 |
| 2.83 | QSARToolbox | 0 » -1 |
| 2.91 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 2.91 | OCHEM | 0 » -1 |
| 2.91 | QSARToolbox | 0 » -1 |
| 2.91 | QSARToolbox | 0 » -1 |
| 2.91 | IUPAC digitized pKa | 0 » -1 |
| 2.91 | OCHEM | 0 » -1 |
| 2.91 | OCHEM | 0 » -1 |
| 2.91 | OCHEM | 0 » -1 |
| 2.91 | OCHEM | 0 » -1 |
| 2.91 | QSARToolbox | 0 » -1 |
| 9.79 | QSARToolbox | -1 » -2 |
| 10.07 | AttenGpKa training set | -1 » -2 |
| 10.10 | QSARToolbox | -1 » -2 |
| 12.58 | AttenGpKa training set | -2 » -3 |
| 13.00 | QSARToolbox | -2 » -3 |