Molecule ID: mol31922
SMILES: O=C(O)P(=O)(O)O
InChI: InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.50 | OCHEM | 0 » -1 |
| 3.40 | OCHEM | -1 » -2 |
| 3.61 | QSARToolbox | -1 » -2 |
| 3.61 | QSARToolbox | -1 » -2 |
| 7.30 | OCHEM | -2 » -3 |
| 7.57 | QSARToolbox | -2 » -3 |