Molecule ID: mol4128
SMILES: Nc1ncnc(N)c1Br
InChI: InChI=1S/C4H5BrN4/c5-2-3(6)8-1-9-4(2)7/h1H,(H4,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | QSARToolbox | 1 » 0 |
| 4.20 | IUPAC digitized pKa | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.22 | QSARToolbox | 1 » 0 |
| 4.22 | AttenGpKa training set | 1 » 0 |