Molecule ID: mol25588
SMILES: Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1
InChI: InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.80 | QSARToolbox | 2 » 1 |
| 2.80 | QSARToolbox | 2 » 1 |
| 2.92 | QSARToolbox | 2 » 1 |
| 4.50 | QSARToolbox | 2 » 1 |
| 4.63 | QSARToolbox | 2 » 1 |
| 4.76 | QSARToolbox | 2 » 1 |
| 4.97 | QSARToolbox | 2 » 1 |