Molecule ID: mol3704
SMILES: CCc1cncc(C)c1
InChI: InChI=1S/C8H11N/c1-3-8-4-7(2)5-9-6-8/h4-6H,3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | OCHEM | 1 » 0 |
| 5.20 | QSARToolbox | 1 » 0 |
| 5.20 | Datawarrior | 1 » 0 |
| 6.30 | IUPAC digitized pKa | 1 » 0 |
| 6.30 | OCHEM | 1 » 0 |