Molecule ID: mol26188
SMILES: NC1=NC2NC=NC2C(N)=N1
InChI: InChI=1S/C5H8N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1-2,4H,(H,8,9)(H4,6,7,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.09 | AttenGpKa training set | 3 » 2 |
| 10.77 | AttenGpKa training set | 0 » -1 |