Molecule ID: mol11827
SMILES: COC(=O)CC(C)(Cc1ccccc1)C(=O)O
InChI: InChI=1S/C13H16O4/c1-13(12(15)16,9-11(14)17-2)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.65 | IUPAC digitized pKa | 0 » -1 |
| 4.65 | AttenGpKa training set | 0 » -1 |