Molecule ID: mol4034
SMILES: CCc1ccnnc1C
InChI: InChI=1S/C7H10N2/c1-3-7-4-5-8-9-6(7)2/h4-5H,3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.03 | IUPAC digitized pKa | 1 » 0 |
| 4.03 | Datawarrior | 1 » 0 |
| 4.03 | OCHEM | 1 » 0 |
| 4.03 | OCHEM | 1 » 0 |
| 4.03 | QSARToolbox | 1 » 0 |
| 4.30 | QSARToolbox | 1 » 0 |