Molecule ID: mol32983
SMILES: O=C(O)CC1CCCC1CC(=O)O
InChI: InChI=1S/C9H14O4/c10-8(11)4-6-2-1-3-7(6)5-9(12)13/h6-7H,1-5H2,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.43 | QSARToolbox | 0 » -1 |
| 4.73 | OCHEM | 0 » -1 |
| 4.73 | OCHEM | 0 » -1 |
| 5.43 | QSARToolbox | 0 » -1 |