Molecule ID: mol6897
SMILES: CCc1cc[nH]n1
InChI: InChI=1S/C5H8N2/c1-2-5-3-4-6-7-5/h3-4H,2H2,1H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | IUPAC digitized pKa | 1 » 0 |
| 3.30 | AttenGpKa training set | 1 » 0 |
| 3.30 | AttenGpKa training set | 1 » 0 |