Molecule ID: mol22662
SMILES: O=C(O)CC(Cc1ccccc1)(Cc1ccccc1)C(=O)O
InChI: InChI=1S/C18H18O4/c19-16(20)13-18(17(21)22,11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,20)(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.96 | QSARToolbox | 0 » -1 |
| 3.96 | QSARToolbox | 0 » -1 |
| 4.22 | AttenGpKa training set | 0 » -1 |
| 4.30 | OCHEM | -1 » -2 |
| 6.66 | QSARToolbox | -1 » -2 |
| 6.66 | AttenGpKa training set | -1 » -2 |