Molecule ID: mol28988
SMILES: O=P(O)(O)CI
InChI: InChI=1S/CH4IO3P/c2-1-6(3,4)5/h1H2,(H2,3,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.30 | QSARToolbox | 0 » -1 |
| 1.30 | QSARToolbox | 0 » -1 |
| 1.30 | QSARToolbox | 0 » -1 |
| 1.30 | OCHEM | 0 » -1 |
| 1.30 | AttenGpKa training set | 0 » -1 |
| 6.72 | QSARToolbox | -1 » -2 |
| 6.72 | QSARToolbox | -1 » -2 |
| 6.72 | OCHEM | -1 » -2 |
| 6.72 | AttenGpKa training set | -1 » -2 |