Molecule ID: mol22663
SMILES: COC(=O)CC(Cc1ccccc1)(C(=O)O)c1ccccc1
InChI: InChI=1S/C18H18O4/c1-22-16(19)13-18(17(20)21,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.05 | AttenGpKa training set | 0 » -1 |
| 4.05 | QSARToolbox | 0 » -1 |
| 4.06 | OCHEM | 0 » -1 |
| 4.60 | QSARToolbox | 0 » -1 |