Molecule ID: mol26189
SMILES: NC1=NC2NN=NC2C(N)=N1
InChI: InChI=1S/C4H7N7/c5-2-1-3(10-11-9-1)8-4(6)7-2/h1,3H,(H,9,10)(H4,5,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.68 | AttenGpKa training set | 2 » 1 |
| 7.58 | AttenGpKa training set | 1 » 0 |