Molecule ID: mol34180
SMILES: COc1ccc(OC(O)(CBr)c2ccccc2)cc1
InChI: InChI=1S/C15H15BrO3/c1-18-13-7-9-14(10-8-13)19-15(17,11-16)12-5-3-2-4-6-12/h2-10,17H,11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.20 | QSARToolbox | 0 » -1 |
| 11.23 | QSARToolbox | 0 » -1 |