Molecule ID: mol11764
SMILES: O=P(O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChI: InChI=1S/C12H9Cl2O4P/c13-9-1-5-11(6-2-9)17-19(15,16)18-12-7-3-10(14)4-8-12/h1-8H,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.12 | AttenGpKa training set | 0 » -1 |
| 0.20 | IUPAC digitized pKa | 0 » -1 |
| 3.89 | QSARToolbox | 0 » -1 |
| 3.89 | QSARToolbox | 0 » -1 |