Molecule ID: mol11256
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+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.99 | IUPAC digitized pKa | 0 » -1 |
| 3.99 | AttenGpKa training set | 0 » -1 |
| 3.99 | QSARToolbox | 0 » -1 |
| 7.34 | IUPAC digitized pKa | -1 » -2 |
| 7.34 | AttenGpKa training set | -1 » -2 |