Molecule ID: mol15507
SMILES: Cc1cc(C)nc(NS(=O)(=O)c2ccc(O)cc2)n1
InChI: InChI=1S/C12H13N3O3S/c1-8-7-9(2)14-12(13-8)15-19(17,18)11-5-3-10(16)4-6-11/h3-7,16H,1-2H3,(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.52 | Datawarrior | 0 » -1 |
| 7.52 | OCHEM | 0 » -1 |
| 9.16 | Datawarrior | -1 » -2 |