Molecule ID: mol29018
SMILES: Cc1ccc(Br)c(P(=O)(O)O)c1
InChI: InChI=1S/C7H8BrO3P/c1-5-2-3-6(8)7(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 | AttenGpKa training set | 0 » -1 |
| 7.15 | AttenGpKa training set | -1 » -2 |
| 7.15 | QSARToolbox | -1 » -2 |