Molecule ID: mol4063
SMILES: Nc1cc(Cl)ncn1
InChI: InChI=1S/C4H4ClN3/c5-3-1-4(6)8-2-7-3/h1-2H,(H2,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | QSARToolbox | 1 » 0 |
| 2.10 | IUPAC digitized pKa | 1 » 0 |
| 2.10 | OCHEM | 1 » 0 |
| 2.10 | OCHEM | 1 » 0 |
| 2.10 | AttenGpKa training set | 1 » 0 |
| 2.10 | AttenGpKa training set | 1 » 0 |