Molecule ID: mol9958
SMILES: O=C(O)c1cc(O)ccc1O
InChI: InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.93 | QSARToolbox | 0 » -1 |
| 2.95 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 2.95 | OCHEM | 0 » -1 |
| 2.95 | QSARToolbox | 0 » -1 |
| 2.95 | QSARToolbox | 0 » -1 |
| 2.95 | IUPAC digitized pKa | 0 » -1 |
| 2.95 | OCHEM | 0 » -1 |
| 2.95 | OCHEM | 0 » -1 |
| 2.95 | OCHEM | 0 » -1 |
| 2.96 | QSARToolbox | 0 » -1 |
| 2.96 | QSARToolbox | 0 » -1 |
| 2.97 | OCHEM | 0 » -1 |
| 2.97 | OCHEM | 0 » -1 |
| 2.97 | OCHEM | 0 » -1 |
| 2.97 | OCHEM | 0 » -1 |
| 2.97 | Baltruschat ChEMBL | 0 » -1 |
| 2.97 | QSARToolbox | 0 » -1 |
| 2.98 | AttenGpKa training set | 0 » -1 |
| 2.98 | IUPAC digitized pKa | 0 » -1 |
| 2.98 | QSARToolbox | 0 » -1 |
| 4.83 | OCHEM | 0 » -1 |
| 4.83 | Baltruschat ChEMBL | 0 » -1 |
| 10.01 | AttenGpKa training set | -1 » -2 |
| 13.90 | AttenGpKa training set | -2 » -3 |