Molecule ID: mol7620
SMILES: N#CNc1nc(N)nc(N)n1
InChI: InChI=1S/C4H5N7/c5-1-8-4-10-2(6)9-3(7)11-4/h(H5,6,7,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.10 | AttenGpKa training set | 1 » 0 |
| 1.10 | IUPAC digitized pKa | 2 » 1 |
| 6.70 | IUPAC digitized pKa | 1 » 0 |
| 6.70 | AttenGpKa training set | 1 » 0 |