Molecule ID: mol13300
SMILES: NS(=O)(=O)c1ccc(P(=O)(O)O)cc1
InChI: InChI=1S/C6H8NO5PS/c7-14(11,12)6-3-1-5(2-4-6)13(8,9)10/h1-4H,(H2,7,11,12)(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.42 | QSARToolbox | 0 » -1 |
| 1.42 | QSARToolbox | 0 » -1 |
| 1.42 | Datawarrior | 0 » -1 |
| 1.42 | OCHEM | 0 » -1 |
| 1.42 | AttenGpKa training set | 0 » -1 |
| 6.38 | Datawarrior | -1 » -2 |
| 6.38 | AttenGpKa training set | -1 » -2 |
| 10.00 | Datawarrior | -2 » -3 |
| 10.00 | AttenGpKa training set | -2 » -3 |