Molecule ID: mol35195
SMILES: CCCCC(CC)C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C14H24O8/c1-3-5-6-7(4-2)13(20)22-14-10(17)8(15)9(16)11(21-14)12(18)19/h7-11,14-17H,3-6H2,1-2H3,(H,18,19)/t7?,8-,9-,10+,11-,14-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.08 | QSARToolbox | 0 » -1 |