Molecule ID: mol7257
SMILES: Nc1ncc(Cl)c(N)n1
InChI: InChI=1S/C4H5ClN4/c5-2-1-8-4(7)9-3(2)6/h1H,(H4,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.52 | QSARToolbox | 1 » 0 |
| 5.52 | IUPAC digitized pKa | 1 » 0 |
| 5.52 | OCHEM | 1 » 0 |
| 5.52 | AttenGpKa training set | 1 » 0 |