Molecule ID: mol32981
SMILES: O=C(O)C1CCCC1C(=O)O
InChI: InChI=1S/C7H10O4/c8-6(9)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.89 | QSARToolbox | 0 » -1 |
| 3.92 | QSARToolbox | 0 » -1 |
| 3.96 | QSARToolbox | 0 » -1 |
| 3.96 | QSARToolbox | 0 » -1 |
| 4.30 | OCHEM | -1 » -2 |
| 4.37 | QSARToolbox | -1 » -2 |
| 4.43 | QSARToolbox | -1 » -2 |
| 5.50 | OCHEM | -1 » -2 |
| 5.85 | QSARToolbox | -1 » -2 |
| 5.91 | QSARToolbox | -1 » -2 |