Molecule ID: mol14608
SMILES: Nc1ccc(S(=O)(=O)Nc2ncco2)cc1
InChI: InChI=1S/C9H9N3O3S/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.50 | Datawarrior | 0 » -1 |
| 6.50 | OCHEM | 0 » -1 |
| 6.50 | AttenGpKa training set | 0 » -1 |