Molecule ID: mol32994
SMILES: O=C(O)C1C2CC(C1C(=O)O)C1C3CCC(C3)C21
InChI: InChI=1S/C14H18O4/c15-13(16)11-7-4-8(12(11)14(17)18)10-6-2-1-5(3-6)9(7)10/h5-12H,1-4H2,(H,15,16)(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.52 | QSARToolbox | -1 » -2 |
| 4.82 | OCHEM | -1 » -2 |
| 5.84 | OCHEM | -1 » -2 |
| 6.16 | QSARToolbox | -1 » -2 |