Molecule ID: mol21792
SMILES: COc1cc(C=CC(=O)O)ccc1O
InChI: InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.58 | QSARToolbox | 0 » -1 |
| 4.58 | QSARToolbox | 0 » -1 |
| 4.58 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.58 | OCHEM | 0 » -1 |
| 4.86 | QSARToolbox | 0 » -1 |
| 9.39 | QSARToolbox | -1 » -2 |