Molecule ID: mol32982
SMILES: O=C(O)CC1CCCC1C(=O)O
InChI: InChI=1S/C8H12O4/c9-7(10)4-5-2-1-3-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.39 | QSARToolbox | 0 » -1 |
| 4.70 | OCHEM | -1 » -2 |
| 4.70 | OCHEM | -1 » -2 |
| 5.67 | QSARToolbox | -1 » -2 |