Molecule ID: mol4032
SMILES: CCc1cc(C)nnc1C
InChI: InChI=1S/C8H12N2/c1-4-8-5-6(2)9-10-7(8)3/h5H,4H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.73 | IUPAC digitized pKa | 1 » 0 |
| 4.73 | Datawarrior | 1 » 0 |
| 4.73 | OCHEM | 1 » 0 |
| 4.73 | OCHEM | 1 » 0 |
| 4.73 | QSARToolbox | 1 » 0 |
| 4.73 | QSARToolbox | 1 » 0 |