Molecule ID: mol7818
SMILES: c1n[nH]c2c1CCCC2
InChI: InChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.01 | IUPAC digitized pKa | 1 » 0 |
| 4.01 | AttenGpKa training set | 1 » 0 |
| 4.01 | AttenGpKa training set | 1 » 0 |