Molecule ID: mol4033
SMILES: CCc1ccc(C)nn1
InChI: InChI=1S/C7H10N2/c1-3-7-5-4-6(2)8-9-7/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 |