Molecule ID: mol10388
SMILES: O=Cc1cccc(C(=O)O)c1
InChI: InChI=1S/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.77 | QSARToolbox | 0 » -1 |
| 3.77 | AttenGpKa training set | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.84 | IUPAC digitized pKa | 0 » -1 |
| 3.84 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.84 | OCHEM | 0 » -1 |
| 3.84 | OCHEM | 0 » -1 |
| 3.84 | OCHEM | 0 » -1 |
| 3.84 | OCHEM | 0 » -1 |
| 3.84 | OCHEM | 0 » -1 |