Molecule ID: mol10856
SMILES: COc1ccc(C(=O)O)c(C(=O)O)c1
InChI: InChI=1S/C9H8O5/c1-14-5-2-3-6(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 |
|---|---|---|
| 2.67 | IUPAC digitized pKa | 0 » -1 |
| 2.67 | QSARToolbox | 0 » -1 |
| 2.67 | QSARToolbox | 0 » -1 |
| 3.00 | OCHEM | 0 » -1 |
| 4.90 | OCHEM | -1 » -2 |
| 4.90 | OCHEM | -1 » -2 |
| 5.16 | QSARToolbox | -1 » -2 |
| 5.16 | IUPAC digitized pKa | -1 » -2 |