Molecule ID: mol14119
SMILES: O=Cc1ccccc1C(=O)O
InChI: InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | AttenGpKa training set | 0 » -1 |
| 4.55 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.56 | OCHEM | 0 » -1 |
| 4.56 | QSARToolbox | 0 » -1 |
| 4.56 | Datawarrior | 0 » -1 |