Molecule ID: mol606
SMILES: Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChI: InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | IUPAC digitized pKa | 1 » 0 |
| 2.00 | IUPAC digitized pKa | 1 » 0 |
| 2.00 | Datawarrior | 1 » 0 |
| 2.00 | OCHEM | 1 » 0 |
| 2.00 | AttenGpKa training set | 1 » 0 |
| 2.38 | IUPAC digitized pKa | 1 » 0 |
| 6.25 | IUPAC digitized pKa | 0 » -1 |
| 6.29 | OCHEM | 0 » -1 |
| 6.29 | Hunt | 0 » -1 |
| 6.34 | IUPAC digitized pKa | 0 » -1 |
| 6.35 | IUPAC digitized pKa | 0 » -1 |
| 6.37 | Baltruschat ChEMBL | 0 » -1 |
| 6.40 | Baltruschat ChEMBL | 0 » -1 |
| 6.42 | Datawarrior | 0 » -1 |
| 6.42 | OCHEM | 0 » -1 |
| 6.48 | IUPAC digitized pKa | 0 » -1 |
| 6.48 | AttenGpKa training set | 0 » -1 |
| 6.50 | Baltruschat ChEMBL | 0 » -1 |
| 6.52 | Baltruschat ChEMBL | 0 » -1 |
| 6.56 | IUPAC digitized pKa | 0 » -1 |