Molecule ID: mol31382
SMILES: COC(=O)C(OO)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C15H14O4/c1-18-14(16)15(19-17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,17H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.40 | QSARToolbox | 0 » -1 |
| 12.40 | AttenGpKa training set | 0 » -1 |