Molecule ID: mol6956
SMILES: Nc1ccc(S)nn1
InChI: InChI=1S/C4H5N3S/c5-3-1-2-4(8)7-6-3/h1-2H,(H2,5,6)(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.14 | QSARToolbox | 1 » 0 |
| -0.14 | IUPAC digitized pKa | 1 » 0 |
| 9.05 | IUPAC digitized pKa | 0 » -1 |
| 9.05 | OCHEM | 0 » -1 |
| 9.50 | QSARToolbox | 0 » -1 |