Molecule ID: mol34277
SMILES: O=C(O)Cc1cc(CC(=O)O)cc(CC(=O)O)c1
InChI: InChI=1S/C12H12O6/c13-10(14)4-7-1-8(5-11(15)16)3-9(2-7)6-12(17)18/h1-3H,4-6H2,(H,13,14)(H,15,16)(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.95 | QSARToolbox | 0 » -1 |
| 4.95 | QSARToolbox | 0 » -1 |