Molecule ID: mol28956
SMILES: O=P(O)(O)c1ccc(Cl)cc1
InChI: InChI=1S/C6H6ClO3P/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.62 | AttenGpKa training set | 0 » -1 |
| 1.66 | QSARToolbox | 0 » -1 |
| 1.67 | OCHEM | 0 » -1 |
| 6.75 | OCHEM | -1 » -2 |
| 6.75 | QSARToolbox | -1 » -2 |
| 6.99 | AttenGpKa training set | -1 » -2 |