Molecule ID: mol4028
SMILES: Cc1cnnc(C)c1
InChI: InChI=1S/C6H8N2/c1-5-3-6(2)8-7-4-5/h3-4H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.11 | IUPAC digitized pKa | 1 » 0 |
| 4.11 | Datawarrior | 1 » 0 |
| 4.11 | OCHEM | 1 » 0 |
| 4.11 | OCHEM | 1 » 0 |
| 4.11 | QSARToolbox | 1 » 0 |
| 4.11 | QSARToolbox | 1 » 0 |