Molecule ID: mol8924
SMILES: O=P(O)(O)C(Cl)(Cl)Cl
InChI: InChI=1S/CH2Cl3O3P/c2-1(3,4)8(5,6)7/h(H2,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.63 | QSARToolbox | 0 » -1 |
| 1.63 | QSARToolbox | 0 » -1 |
| 1.63 | QSARToolbox | 0 » -1 |
| 1.63 | QSARToolbox | 0 » -1 |
| 1.63 | QSARToolbox | 0 » -1 |
| 1.63 | IUPAC digitized pKa | 0 » -1 |
| 1.63 | AttenGpKa training set | 0 » -1 |
| 4.28 | IUPAC digitized pKa | -1 » -2 |
| 4.28 | QSARToolbox | -1 » -2 |
| 4.71 | IUPAC digitized pKa | -1 » -2 |
| 4.81 | QSARToolbox | -1 » -2 |
| 4.81 | QSARToolbox | -1 » -2 |
| 4.81 | QSARToolbox | -1 » -2 |
| 4.81 | QSARToolbox | -1 » -2 |
| 4.81 | AttenGpKa training set | -1 » -2 |