Molecule ID: mol4048
SMILES: Nc1ccc(S(=O)(=O)Nc2cccnn2)cc1
InChI: InChI=1S/C10H10N4O2S/c11-8-3-5-9(6-4-8)17(15,16)14-10-2-1-7-12-13-10/h1-7H,11H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.30 | IUPAC digitized pKa | 2 » 1 |
| 1.30 | Datawarrior | 2 » 1 |
| 1.30 | OCHEM | 2 » 1 |
| 1.30 | AttenGpKa training set | 2 » 1 |
| 2.48 | IUPAC digitized pKa | 1 » 0 |
| 2.48 | AttenGpKa training set | 1 » 0 |
| 7.06 | OCHEM | 0 » -1 |
| 7.06 | IUPAC digitized pKa | 0 » -1 |
| 7.06 | Datawarrior | 0 » -1 |
| 7.06 | AttenGpKa training set | 0 » -1 |