Molecule ID: mol37627
SMILES: O=C(O)C[C@H]1[C@@H]2C[C@H]([C@H]1C(=O)O)[C@H]1[C@H]3CC[C@H](C3)[C@@H]21
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)/t6-,7+,8+,9+,10+,12+,13-,14+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.69 | QSARToolbox | -1 » -2 |