Molecule ID: mol11668
SMILES: COC(=O)CC(C)(C(=O)O)c1ccccc1
InChI: InChI=1S/C12H14O4/c1-12(11(14)15,8-10(13)16-2)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.15 | IUPAC digitized pKa | 0 » -1 |
| 4.15 | AttenGpKa training set | 0 » -1 |