Molecule ID: mol22659
SMILES: CCOC(=O)CC(C(=O)O)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C18H18O4/c1-2-22-16(19)13-18(17(20)21,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.05 | AttenGpKa training set | 0 » -1 |
| 4.05 | QSARToolbox | 0 » -1 |