Molecule ID: mol32987
SMILES: O=C(O)CC1CCCCC1CC(=O)O
InChI: InChI=1S/C10H16O4/c11-9(12)5-7-3-1-2-4-8(7)6-10(13)14/h7-8H,1-6H2,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.38 | QSARToolbox | 0 » -1 |
| 4.68 | OCHEM | 0 » -1 |
| 4.68 | OCHEM | 0 » -1 |
| 5.42 | QSARToolbox | 0 » -1 |