Molecule ID: mol4255
SMILES: Nc1ccc(S(=O)(=O)Nc2nncs2)cc1
InChI: InChI=1S/C8H8N4O2S2/c9-6-1-3-7(4-2-6)16(13,14)12-8-11-10-5-15-8/h1-5H,9H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.15 | IUPAC digitized pKa | 1 » 0 |
| 2.15 | Datawarrior | 1 » 0 |
| 2.15 | OCHEM | 1 » 0 |
| 4.77 | IUPAC digitized pKa | 0 » -1 |
| 4.77 | Datawarrior | 0 » -1 |
| 4.77 | OCHEM | 0 » -1 |