Molecule ID: mol11542
SMILES: O=C(O)c1ccc(Br)c2ccccc12
InChI: InChI=1S/C11H7BrO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.37 | QSARToolbox | 0 » -1 |
| 3.37 | QSARToolbox | 0 » -1 |
| 3.37 | IUPAC digitized pKa | 0 » -1 |
| 3.37 | OCHEM | 0 » -1 |