Molecule ID: mol15406
SMILES: COc1cc(OC)nc(NS(=O)(=O)c2ccc(O)cc2)n1
InChI: InChI=1S/C12H13N3O5S/c1-19-10-7-11(20-2)14-12(13-10)15-21(17,18)9-5-3-8(16)4-6-9/h3-7,16H,1-2H3,(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.29 | Datawarrior | -1 » -2 |
| 7.29 | OCHEM | -1 » -2 |
| 9.05 | Datawarrior | -1 » -2 |