Molecule ID: mol8416
SMILES: Nc1nc(N)c2c(n1)Nc1ccccc1S2
InChI: InChI=1S/C10H9N5S/c11-8-7-9(15-10(12)14-8)13-5-3-1-2-4-6(5)16-7/h1-4H,(H5,11,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.99 | IUPAC digitized pKa | 1 » 0 |
| 4.99 | AttenGpKa training set | 1 » 0 |