Molecule ID: mol9898
SMILES: O=P(O)(O)Oc1ccc(Cl)cc1
InChI: InChI=1S/C6H6ClO4P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.70 | QSARToolbox | 0 » -1 |
| 0.70 | IUPAC digitized pKa | 0 » -1 |
| 0.70 | AttenGpKa training set | 0 » -1 |
| 5.83 | IUPAC digitized pKa | -1 » -2 |
| 5.89 | QSARToolbox | -1 » -2 |
| 5.89 | IUPAC digitized pKa | -1 » -2 |
| 5.89 | AttenGpKa training set | -1 » -2 |