Molecule ID: mol15723
SMILES: O=S(=O)(Nc1nccs1)c1ccccc1
InChI: InChI=1S/C9H8N2O2S2/c12-15(13,8-4-2-1-3-5-8)11-9-10-6-7-14-9/h1-7H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.73 | Datawarrior | 0 » -1 |
| 5.73 | OCHEM | 0 » -1 |
| 5.73 | QSARToolbox | 0 » -1 |