Molecule ID: mol23139
SMILES: C[N+](C)(C)c1cc(C(=O)O)cc([S@TB12](=O)(=O)[O-])c1
InChI: InChI=1S/C10H13NO5S/c1-11(2,3)8-4-7(10(12)13)5-9(6-8)17(14,15)16/h4-6H,1-3H3,(H-,12,13,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | QSARToolbox | 0 » -1 |
| 3.10 | AttenGpKa training set | 0 » -1 |