Molecule ID: mol4027
SMILES: Cc1ccnnc1C
InChI: InChI=1S/C6H8N2/c1-5-3-4-7-8-6(5)2/h3-4H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | OCHEM | 1 » 0 |
| 4.10 | QSARToolbox | 1 » 0 |
| 4.10 | QSARToolbox | 1 » 0 |
| 4.10 | IUPAC digitized pKa | 1 » 0 |
| 4.10 | Datawarrior | 1 » 0 |
| 4.10 | OCHEM | 1 » 0 |