Molecule ID: mol2072
SMILES: O=C(O)c1cccc(Br)c1CO
InChI: InChI=1S/C8H7BrO3/c9-7-3-1-2-5(8(11)12)6(7)4-10/h1-3,10H,4H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.28 | QSARToolbox | 0 » -1 |
| 3.28 | QSARToolbox | 0 » -1 |
| 3.28 | Hunt | 0 » -1 |
| 3.28 | OCHEM | 0 » -1 |