Molecule ID: mol4031
SMILES: CCc1cccnn1
InChI: InChI=1S/C6H8N2/c1-2-6-4-3-5-7-8-6/h3-5H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.58 | OCHEM | 1 » 0 |
| 3.58 | QSARToolbox | 1 » 0 |
| 3.58 | QSARToolbox | 1 » 0 |
| 3.58 | IUPAC digitized pKa | 1 » 0 |
| 3.58 | Datawarrior | 1 » 0 |
| 3.58 | OCHEM | 1 » 0 |