Molecule ID: mol3334
SMILES: Nc1ccc(N)c(N)c1
InChI: InChI=1S/C6H9N3/c7-4-1-2-5(8)6(9)3-4/h1-3H,7-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.69 | Datawarrior | 2 » 1 |
| 3.70 | IUPAC digitized pKa | 2 » 1 |
| 5.50 | IUPAC digitized pKa | 1 » 0 |
| 6.10 | OCHEM | 1 » 0 |
| 6.10 | IUPAC digitized pKa | 1 » 0 |
| 6.10 | Datawarrior | 1 » 0 |
| 6.10 | OCHEM | 1 » 0 |