Molecule ID: mol13836
SMILES: CC1=NS(=O)(=O)c2ncccc2N1
InChI: InChI=1S/C7H7N3O2S/c1-5-9-6-3-2-4-8-7(6)13(11,12)10-5/h2-4H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.58 | OCHEM | 0 » -1 |
| 7.58 | QSARToolbox | 0 » -1 |
| 7.58 | Datawarrior | 0 » -1 |