Molecule ID: mol22653
SMILES: O=C(O)CCC(C(=O)O)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C17H16O4/c18-15(19)11-12-17(16(20)21,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,19)(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.91 | AttenGpKa training set | 0 » -1 |
| 2.91 | QSARToolbox | 0 » -1 |
| 3.91 | QSARToolbox | 0 » -1 |
| 3.91 | QSARToolbox | 0 » -1 |
| 4.21 | OCHEM | 0 » -1 |
| 5.39 | QSARToolbox | -1 » -2 |
| 5.39 | AttenGpKa training set | -1 » -2 |
| 6.38 | QSARToolbox | -1 » -2 |