Molecule ID: mol22601
SMILES: O=C(O)[C@H]1CCCCCC[C@@H]1C(=O)O
InChI: InChI=1S/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8(7)10(13)14/h7-8H,1-6H2,(H,11,12)(H,13,14)/t7-,8-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.37 | QSARToolbox | -1 » -2 |
| 4.37 | AttenGpKa training set | -1 » -2 |
| 6.24 | AttenGpKa training set | -1 » -2 |