Molecule ID: mol12845
SMILES: NC1=NS(=O)(=O)Nc2nc[nH]c21
InChI: InChI=1S/C4H5N5O2S/c5-3-2-4(7-1-6-2)9-12(10,11)8-3/h1,9H,(H2,5,8)(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.28 | Datawarrior | 1 » 0 |
| 0.28 | OCHEM | 1 » 0 |
| 0.28 | QSARToolbox | 1 » 0 |
| 4.28 | Datawarrior | 0 » -1 |
| 4.28 | OCHEM | 0 » -1 |
| 12.21 | Datawarrior | -1 » -2 |