Molecule ID: mol15585
SMILES: Cc1cc(S(=O)(=O)N(CCO)CCO)cc(C)c1O
InChI: InChI=1S/C12H19NO5S/c1-9-7-11(8-10(2)12(9)16)19(17,18)13(3-5-14)4-6-15/h7-8,14-16H,3-6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.25 | Datawarrior | 0 » -1 |
| 8.25 | OCHEM | 0 » -1 |
| 8.25 | QSARToolbox | 0 » -1 |
| 8.25 | QSARToolbox | 0 » -1 |