Molecule ID: mol7468
SMILES: Cc1c(O)ncnc1S
InChI: InChI=1S/C5H6N2OS/c1-3-4(8)6-2-7-5(3)9/h2H,1H3,(H2,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.16 | IUPAC digitized pKa | 1 » 0 |
| -1.16 | QSARToolbox | 1 » 0 |
| 4.97 | QSARToolbox | 0 » -1 |
| 4.97 | IUPAC digitized pKa | 0 » -1 |
| 11.74 | QSARToolbox | -1 » -2 |
| 11.74 | IUPAC digitized pKa | -1 » -2 |
| 11.75 | OCHEM | -1 » -2 |