Molecule ID: mol4244
SMILES: Cc1nc(NS(=O)(=O)c2ccc(N)cc2)no1
InChI: InChI=1S/C9H10N4O3S/c1-6-11-9(12-16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.70 | IUPAC digitized pKa | 1 » 0 |
| 4.40 | IUPAC digitized pKa | 0 » -1 |
| 4.40 | Datawarrior | 0 » -1 |
| 4.40 | OCHEM | 0 » -1 |