Molecule ID: mol9495
SMILES: Cc1cc(=O)[nH]c(=S)[nH]1
InChI: InChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.37 | QSARToolbox | 0 » -1 |
| 7.73 | Datawarrior | 0 » -1 |
| 7.73 | OCHEM | 0 » -1 |
| 7.94 | IUPAC digitized pKa | 0 » -1 |
| 8.10 | QSARToolbox | 0 » -1 |