Molecule ID: mol32995
SMILES: O=C(O)CC1C2CC(C1C(=O)O)C1C3CCC(C3)C21
InChI: InChI=1S/C15H20O4/c16-11(17)5-9-8-4-10(14(9)15(18)19)13-7-2-1-6(3-7)12(8)13/h6-10,12-14H,1-5H2,(H,16,17)(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.25 | QSARToolbox | 0 » -1 |
| 4.55 | OCHEM | -1 » -2 |
| 4.55 | OCHEM | -1 » -2 |
| 6.60 | QSARToolbox | -1 » -2 |