Molecule ID: mol4109
SMILES: Cn1cc(Br)cnc1=N
InChI: InChI=1S/C5H6BrN3/c1-9-3-4(6)2-8-5(9)7/h2-3,7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.91 | IUPAC digitized pKa | 1 » 0 |
| 9.97 | IUPAC digitized pKa | 1 » 0 |
| 10.12 | IUPAC digitized pKa | 1 » 0 |
| 10.41 | IUPAC digitized pKa | 1 » 0 |