Molecule ID: mol7456
SMILES: CNc1nc(SC)nc(NC)c1NC=O
InChI: InChI=1S/C8H13N5OS/c1-9-6-5(11-4-14)7(10-2)13-8(12-6)15-3/h4H,1-3H3,(H,11,14)(H2,9,10,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.12 | IUPAC digitized pKa | 1 » 0 |
| 4.17 | AttenGpKa training set | 1 » 0 |