Molecule ID: mol6961
SMILES: Oc1ccc(=S)[nH]n1
InChI: InChI=1S/C4H4N2OS/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.39 | IUPAC digitized pKa | 1 » 0 |
| -1.39 | QSARToolbox | 1 » 0 |
| 3.32 | QSARToolbox | 0 » -1 |
| 3.32 | IUPAC digitized pKa | 0 » -1 |