Molecule ID: mol30691
SMILES: O=C(CN1CCCCC1)c1ccc(O)cc1
InChI: InChI=1S/C13H17NO2/c15-12-6-4-11(5-7-12)13(16)10-14-8-2-1-3-9-14/h4-7,15H,1-3,8-10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.30 | AttenGpKa training set | 1 » 0 |
| 9.60 | AttenGpKa training set | 0 » -1 |