Molecule ID: mol3667
SMILES: Cn1ccc(=N)cc1
InChI: InChI=1S/C6H8N2/c1-8-4-2-6(7)3-5-8/h2-5,7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.50 | IUPAC digitized pKa | 1 » 0 |
| 12.50 | Datawarrior | 1 » 0 |
| 12.50 | OCHEM | 1 » 0 |
| 12.50 | Baltruschat ChEMBL | 1 » 0 |
| 12.50 | QSARToolbox | 1 » 0 |