Molecule ID: mol7457
SMILES: CNc1nc(C)nc(SC)c1NC=O
InChI: InChI=1S/C8H12N4OS/c1-5-11-7(9-2)6(10-4-13)8(12-5)14-3/h4H,1-3H3,(H,10,13)(H,9,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.87 | IUPAC digitized pKa | 1 » 0 |
| 3.92 | AttenGpKa training set | 1 » 0 |