Molecule ID: mol13835
SMILES: CC1=NS(=O)(=O)c2cnccc2N1
InChI: InChI=1S/C7H7N3O2S/c1-5-9-6-2-3-8-4-7(6)13(11,12)10-5/h2-4H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.60 | OCHEM | 0 » -1 |
| 7.60 | QSARToolbox | 0 » -1 |
| 7.60 | Datawarrior | 0 » -1 |