Molecule ID: mol33105
SMILES: Cc1ccc(P(=O)(O)O)c(Br)c1
InChI: InChI=1S/C7H8BrO3P/c1-5-2-3-7(6(8)4-5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.81 | QSARToolbox | 0 » -1 |
| 1.81 | QSARToolbox | 0 » -1 |
| 1.81 | OCHEM | 0 » -1 |
| 7.15 | OCHEM | -1 » -2 |