Molecule ID: mol32996
SMILES: O=C(O)C1CCCC(C(=O)O)C1C(=O)O
InChI: InChI=1S/C9H12O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h4-6H,1-3H2,(H,10,11)(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.85 | QSARToolbox | 0 » -1 |
| 3.88 | QSARToolbox | 0 » -1 |
| 4.36 | OCHEM | -1 » -2 |
| 4.36 | OCHEM | -1 » -2 |
| 7.83 | QSARToolbox | -2 » -3 |