Molecule ID: mol11670
SMILES: CC(CC(=O)O)(CC(=O)O)c1ccccc1
InChI: InChI=1S/C12H14O4/c1-12(7-10(13)14,8-11(15)16)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 |
|---|---|---|
| 4.10 | QSARToolbox | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.12 | IUPAC digitized pKa | 0 » -1 |
| 4.12 | AttenGpKa training set | 0 » -1 |
| 6.17 | IUPAC digitized pKa | -1 » -2 |
| 6.17 | AttenGpKa training set | -1 » -2 |