Molecule ID: mol22610
SMILES: O=C(O)CC(Cc1ccccc1)C(=O)O
InChI: InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.11 | AttenGpKa training set | 0 » -1 |
| 4.11 | QSARToolbox | 0 » -1 |
| 4.11 | QSARToolbox | 0 » -1 |
| 4.41 | OCHEM | -1 » -2 |
| 5.64 | QSARToolbox | -1 » -2 |
| 5.65 | AttenGpKa training set | -1 » -2 |