Molecule ID: mol7534
SMILES: Nc1nc(N)c(Sc2ccccc2)c(N)n1
InChI: InChI=1S/C10H11N5S/c11-8-7(9(12)15-10(13)14-8)16-6-4-2-1-3-5-6/h1-5H,(H6,11,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.49 | QSARToolbox | 2 » 1 |
| 0.80 | QSARToolbox | 2 » 1 |
| 5.36 | OCHEM | 1 » 0 |
| 5.66 | QSARToolbox | 1 » 0 |