Molecule ID: mol7467
SMILES: Oc1cc(S)ncn1
InChI: InChI=1S/C4H4N2OS/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.70 | QSARToolbox | 1 » 0 |
| 1.52 | QSARToolbox | 1 » 0 |
| 4.33 | QSARToolbox | 0 » -1 |
| 4.33 | IUPAC digitized pKa | 0 » -1 |
| 4.33 | IUPAC digitized pKa | 0 » -1 |
| 4.33 | AttenGpKa training set | 0 » -1 |
| 10.52 | IUPAC digitized pKa | -1 » -2 |
| 10.52 | IUPAC digitized pKa | -1 » -2 |
| 10.52 | AttenGpKa training set | -1 » -2 |