Molecule ID: mol14470
SMILES: CCOP(=O)(O)NS(=O)(=O)c1ccccc1
InChI: InChI=1S/C8H12NO5PS/c1-2-14-15(10,11)9-16(12,13)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | QSARToolbox | 0 » -1 |
| 1.80 | Datawarrior | 0 » -1 |
| 1.80 | OCHEM | 0 » -1 |
| 6.50 | Datawarrior | -1 » -2 |