Molecule ID: mol7206
SMILES: CCCCc1nc(O)cc(SC)n1
InChI: InChI=1S/C9H14N2OS/c1-3-4-5-7-10-8(12)6-9(11-7)13-2/h6H,3-5H2,1-2H3,(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.48 | QSARToolbox | 1 » 0 |
| 9.44 | QSARToolbox | 0 » -1 |
| 9.44 | IUPAC digitized pKa | 0 » -1 |