Molecule ID: mol32988
SMILES: O=C(O)C1CCCCC1C1CCCCC1C(=O)O
InChI: InChI=1S/C14H22O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h9-12H,1-8H2,(H,15,16)(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.85 | QSARToolbox | 0 » -1 |
| 4.96 | QSARToolbox | 0 » -1 |
| 5.20 | OCHEM | 0 » -1 |
| 5.20 | OCHEM | 0 » -1 |
| 5.65 | OCHEM | 0 » -1 |
| 5.96 | QSARToolbox | 0 » -1 |
| 6.70 | QSARToolbox | 0 » -1 |