Molecule ID: mol4043
SMILES: CCCc1ccc(C)nn1
InChI: InChI=1S/C8H12N2/c1-3-4-8-6-5-7(2)9-10-8/h5-6H,3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.25 | IUPAC digitized pKa | 1 » 0 |
| 4.25 | Datawarrior | 1 » 0 |
| 4.25 | OCHEM | 1 » 0 |
| 4.25 | OCHEM | 1 » 0 |
| 4.25 | QSARToolbox | 1 » 0 |
| 4.25 | QSARToolbox | 1 » 0 |