Molecule ID: mol7102
SMILES: CSc1nc(C)c(NC(C)=O)c(N)n1
InChI: InChI=1S/C8H12N4OS/c1-4-6(11-5(2)13)7(9)12-8(10-4)14-3/h1-3H3,(H,11,13)(H2,9,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.97 | IUPAC digitized pKa | 1 » 0 |
| 4.02 | AttenGpKa training set | 1 » 0 |