Molecule ID: mol15472
SMILES: NS(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1
InChI: InChI=1S/C13H12N2O3S/c14-19(17,18)12-7-5-11(6-8-12)15-9-10-3-1-2-4-13(10)16/h1-9,16H,(H2,14,17,18)/b15-9+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.63 | Datawarrior | 0 » -1 |
| 6.63 | QSARToolbox | 0 » -1 |
| 11.71 | Datawarrior | -1 » -2 |