Molecule ID: mol28923
SMILES: O=P(O)(O)c1ccccc1F
InChI: InChI=1S/C6H6FO3P/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.57 | AttenGpKa training set | 0 » -1 |
| 1.64 | QSARToolbox | 0 » -1 |
| 1.64 | QSARToolbox | 0 » -1 |
| 1.64 | OCHEM | 0 » -1 |
| 6.80 | OCHEM | -1 » -2 |
| 6.80 | QSARToolbox | -1 » -2 |
| 6.80 | QSARToolbox | -1 » -2 |
| 7.00 | AttenGpKa training set | -1 » -2 |