Molecule ID: mol10845
SMILES: Cc1ccc(C(=O)O)c(C(=O)O)c1
InChI: InChI=1S/C9H8O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.04 | IUPAC digitized pKa | 0 » -1 |
| 3.04 | OCHEM | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 5.26 | IUPAC digitized pKa | -1 » -2 |
| 5.26 | QSARToolbox | -1 » -2 |