Molecule ID: mol4129
SMILES: Nc1cc(Cl)nc(N)n1
InChI: InChI=1S/C4H5ClN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.55 | QSARToolbox | 1 » 0 |
| 3.55 | IUPAC digitized pKa | 1 » 0 |
| 3.57 | AttenGpKa training set | 1 » 0 |
| 3.58 | OCHEM | 1 » 0 |
| 3.60 | QSARToolbox | 1 » 0 |
| 3.60 | IUPAC digitized pKa | 1 » 0 |