Molecule ID: mol4956
SMILES: CNc1nc(SC)nc2[nH]ncc12
InChI: InChI=1S/C7H9N5S/c1-8-5-4-3-9-12-6(4)11-7(10-5)13-2/h3H,1-2H3,(H2,8,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.57 | IUPAC digitized pKa | 1 » 0 |
| 3.61 | QSARToolbox | 1 » 0 |
| 3.61 | OCHEM | 1 » 0 |
| 3.61 | Datawarrior | 1 » 0 |
| 11.40 | Datawarrior | 0 » -1 |
| 11.40 | OCHEM | 0 » -1 |
| 11.44 | IUPAC digitized pKa | 0 » -1 |