Molecule ID: mol14342
SMILES: COP(=O)(O)NS(=O)(=O)c1ccccc1
InChI: InChI=1S/C7H10NO5PS/c1-13-14(9,10)8-15(11,12)7-5-3-2-4-6-7/h2-6H,1H3,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.05 | QSARToolbox | 0 » -1 |
| 1.05 | Datawarrior | 0 » -1 |
| 1.05 | OCHEM | 0 » -1 |
| 6.25 | Datawarrior | -1 » -2 |