Molecule ID: mol29680
SMILES: CN(C)c1nc(N)c(C(=O)NC(=N)N)nc1Cl
InChI: InChI=1S/C8H12ClN7O/c1-16(2)6-4(9)13-3(5(10)14-6)7(17)15-8(11)12/h1-2H3,(H2,10,14)(H4,11,12,15,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.76 | AttenGpKa training set | 1 » 0 |
| 8.76 | QSARToolbox | 1 » 0 |