Molecule ID: mol4236
SMILES: Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChI: InChI=1S/C9H9N3O2S2/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 |
|---|---|---|
| 2.10 | IUPAC digitized pKa | 1 » 0 |
| 2.13 | AttenGpKa training set | 1 » 0 |
| 2.35 | OCHEM | 1 » 0 |
| 2.35 | Datawarrior | 1 » 0 |
| 2.36 | IUPAC digitized pKa | 1 » 0 |
| 7.12 | IUPAC digitized pKa | 0 » -1 |
| 7.13 | AttenGpKa training set | 0 » -1 |
| 7.17 | OCHEM | 0 » -1 |
| 7.20 | QSARToolbox | 0 » -1 |
| 7.20 | OCHEM | 0 » -1 |
| 7.23 | IUPAC digitized pKa | 0 » -1 |
| 7.23 | Baltruschat ChEMBL | 0 » -1 |
| 7.25 | Datawarrior | 0 » -1 |
| 7.25 | OCHEM | 0 » -1 |
| 7.25 | Baltruschat ChEMBL | 0 » -1 |
| 7.43 | IUPAC digitized pKa | 0 » -1 |