Molecule ID: mol9959
SMILES: O=C(O)c1cc(O)cc(O)c1
InChI: InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.01 | AttenGpKa training set | 0 » -1 |
| 4.04 | IUPAC digitized pKa | 0 » -1 |
| 4.04 | QSARToolbox | 0 » -1 |
| 4.04 | QSARToolbox | 0 » -1 |
| 4.04 | QSARToolbox | 0 » -1 |
| 4.04 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.04 | OCHEM | 0 » -1 |
| 4.04 | OCHEM | 0 » -1 |
| 4.04 | OCHEM | 0 » -1 |
| 4.04 | OCHEM | 0 » -1 |
| 4.04 | OCHEM | 0 » -1 |
| 4.04 | OCHEM | 0 » -1 |
| 4.04 | OCHEM | 0 » -1 |
| 4.04 | OCHEM | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 9.03 | AttenGpKa training set | -1 » -2 |
| 10.30 | AttenGpKa training set | -2 » -3 |