Molecule ID: mol3906
SMILES: Cn1cnc(Cl)c1
InChI: InChI=1S/C4H5ClN2/c1-7-2-4(5)6-3-7/h2-3H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | IUPAC digitized pKa | 1 » 0 |
| 3.10 | AttenGpKa training set | 1 » 0 |
| 6.23 | IUPAC digitized pKa | 1 » 0 |
| 6.23 | QSARToolbox | 1 » 0 |