Molecule ID: mol7067
SMILES: CSc1ncc(NC=O)c(N)n1
InChI: InChI=1S/C6H8N4OS/c1-12-6-8-2-4(9-3-11)5(7)10-6/h2-3H,1H3,(H,9,11)(H2,7,8,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.66 | IUPAC digitized pKa | 1 » 0 |
| 3.71 | AttenGpKa training set | 1 » 0 |