Molecule ID: mol4035
SMILES: CCc1cnnc(C)c1
InChI: InChI=1S/C7H10N2/c1-3-7-4-6(2)9-8-5-7/h4-5H,3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.17 | IUPAC digitized pKa | 1 » 0 |
| 4.17 | Datawarrior | 1 » 0 |
| 4.17 | OCHEM | 1 » 0 |
| 4.17 | QSARToolbox | 1 » 0 |
| 4.17 | QSARToolbox | 1 » 0 |
| 4.17 | OCHEM | 1 » 0 |