Molecule ID: mol3611
SMILES: CCc1cnccc1N
InChI: InChI=1S/C7H10N2/c1-2-6-5-9-4-3-7(6)8/h3-5H,2H2,1H3,(H2,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.12 | IUPAC digitized pKa | 1 » 0 |
| 9.17 | Datawarrior | 1 » 0 |
| 9.17 | OCHEM | 1 » 0 |
| 9.49 | QSARToolbox | 1 » 0 |
| 9.49 | IUPAC digitized pKa | 1 » 0 |
| 9.49 | OCHEM | 1 » 0 |
| 9.51 | OCHEM | 1 » 0 |
| 9.51 | OCHEM | 1 » 0 |
| 9.94 | IUPAC digitized pKa | 1 » 0 |