Molecule ID: mol10853
SMILES: O=C(O)C=Cc1ccc(O)c(O)c1
InChI: InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.49 | QSARToolbox | 0 » -1 |
| 4.49 | IUPAC digitized pKa | 0 » -1 |
| 4.56 | OCHEM | 0 » -1 |
| 4.62 | QSARToolbox | 0 » -1 |
| 4.62 | QSARToolbox | 0 » -1 |
| 4.62 | QSARToolbox | 0 » -1 |
| 4.62 | IUPAC digitized pKa | 0 » -1 |
| 4.62 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.76 | IUPAC digitized pKa | -1 » -2 |
| 8.76 | QSARToolbox | -1 » -2 |
| 9.07 | IUPAC digitized pKa | -1 » -2 |
| 9.70 | QSARToolbox | -1 » -2 |