Molecule ID: mol21788
SMILES: O=C(O)C=Cc1ccc(O)cc1
InChI: InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.36 | OCHEM | 0 » -1 |
| 4.64 | QSARToolbox | 0 » -1 |
| 4.64 | QSARToolbox | 0 » -1 |
| 4.64 | QSARToolbox | 0 » -1 |
| 4.64 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.64 | OCHEM | 0 » -1 |
| 9.45 | QSARToolbox | -1 » -2 |