Molecule ID: mol16720
SMILES: O=C(O)/C=C/C1CCNCC1
InChI: InChI=1S/C8H13NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-2,7,9H,3-6H2,(H,10,11)/b2-1+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | Baltruschat ChEMBL | 1 » 0 |
| 10.80 | Baltruschat ChEMBL | 0 » -1 |