Molecule ID: mol16719
SMILES: O=C(O)C1=CCNCC1
InChI: InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | OCHEM | 1 » 0 |
| 3.60 | OCHEM | 1 » 0 |
| 3.60 | Baltruschat ChEMBL | 1 » 0 |
| 9.80 | Baltruschat ChEMBL | 0 » -1 |