Molecule ID: mol16721
SMILES: O=C(O)/C=C/C1=CCNCC1
InChI: InChI=1S/C8H11NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-3,9H,4-6H2,(H,10,11)/b2-1+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | Baltruschat ChEMBL | 1 » 0 |
| 9.80 | Baltruschat ChEMBL | 0 » -1 |