Molecule ID: mol4222
SMILES: Nc1ccc(S(=O)(=O)Nc2cncnc2)cc1
InChI: InChI=1S/C10H10N4O2S/c11-8-1-3-10(4-2-8)17(15,16)14-9-5-12-7-13-6-9/h1-7,14H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.90 | IUPAC digitized pKa | 1 » 0 |
| 1.90 | Datawarrior | 1 » 0 |
| 1.90 | OCHEM | 1 » 0 |
| 1.90 | AttenGpKa training set | 1 » 0 |
| 6.62 | OCHEM | 0 » -1 |
| 6.62 | IUPAC digitized pKa | 0 » -1 |
| 6.62 | Datawarrior | 0 » -1 |
| 6.62 | AttenGpKa training set | 0 » -1 |