Molecule ID: mol4011
SMILES: Cc1ccn(C)n1
InChI: InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.82 | IUPAC digitized pKa | 1 » 0 |
| 2.82 | AttenGpKa training set | 1 » 0 |
| 3.11 | QSARToolbox | 1 » 0 |
| 3.11 | IUPAC digitized pKa | 1 » 0 |