Molecule ID: mol11208
SMILES: CCOc1ccc(C(=O)O)c(C(=O)O)c1
InChI: InChI=1S/C10H10O5/c1-2-15-6-3-4-7(9(11)12)8(5-6)10(13)14/h3-5H,2H2,1H3,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.74 | IUPAC digitized pKa | 0 » -1 |
| 2.74 | QSARToolbox | 0 » -1 |
| 2.74 | QSARToolbox | 0 » -1 |
| 2.74 | QSARToolbox | 0 » -1 |
| 3.04 | OCHEM | 0 » -1 |
| 5.12 | QSARToolbox | -1 » -2 |
| 5.12 | IUPAC digitized pKa | -1 » -2 |
| 5.12 | OCHEM | -1 » -2 |