Molecule ID: mol1607
SMILES: Cc1nc(N)nc(C)c1Br
InChI: InChI=1S/C6H8BrN3/c1-3-5(7)4(2)10-6(8)9-3/h1-2H3,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | OCHEM | 1 » 0 |
| 3.30 | QSARToolbox | 1 » 0 |
| 3.30 | IUPAC digitized pKa | 1 » 0 |
| 3.30 | Hunt | 1 » 0 |
| 3.35 | AttenGpKa training set | 1 » 0 |