Molecule ID: mol11665
SMILES: CC(CC(=O)O)(Cc1ccccc1)C(=O)O
InChI: InChI=1S/C12H14O4/c1-12(11(15)16,8-10(13)14)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.14 | IUPAC digitized pKa | 0 » -1 |
| 4.14 | AttenGpKa training set | 0 » -1 |
| 6.49 | IUPAC digitized pKa | -1 » -2 |
| 6.49 | AttenGpKa training set | -1 » -2 |