Molecule ID: mol32984
SMILES: O=C(O)C1CCCCC1C(=O)O
InChI: InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.18 | QSARToolbox | 0 » -1 |
| 4.18 | QSARToolbox | 0 » -1 |
| 4.18 | QSARToolbox | 0 » -1 |
| 4.34 | QSARToolbox | 0 » -1 |
| 4.48 | OCHEM | -1 » -2 |
| 5.60 | OCHEM | -1 » -2 |
| 5.93 | QSARToolbox | -1 » -2 |