Molecule ID: mol4256
SMILES: Nc1nccnn1
InChI: InChI=1S/C3H4N4/c4-3-5-1-2-6-7-3/h1-2H,(H2,4,5,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.09 | OCHEM | 1 » 0 |
| 4.00 | IUPAC digitized pKa | 1 » 0 |
| 4.00 | Datawarrior | 1 » 0 |
| 4.00 | OCHEM | 1 » 0 |
| 4.10 | IUPAC digitized pKa | 1 » 0 |
| 4.10 | AttenGpKa training set | 1 » 0 |