Molecule ID: mol7207
SMILES: CCCCc1c(O)ncnc1SC
InChI: InChI=1S/C9H14N2OS/c1-3-4-5-7-8(12)10-6-11-9(7)13-2/h6H,3-5H2,1-2H3,(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.40 | QSARToolbox | 1 » 0 |
| 9.29 | QSARToolbox | 0 » -1 |
| 9.29 | IUPAC digitized pKa | 0 » -1 |