Molecule ID: mol7526
SMILES: Nc1nc(N)c(Cl)c(N)n1
InChI: InChI=1S/C4H6ClN5/c5-1-2(6)9-4(8)10-3(1)7/h(H6,6,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.35 | QSARToolbox | 2 » 1 |
| 5.15 | IUPAC digitized pKa | 1 » 0 |
| 5.15 | OCHEM | 1 » 0 |
| 5.15 | QSARToolbox | 1 » 0 |