Molecule ID: mol30657
SMILES: CCN(CC)CC(=O)c1ccc(O)cc1
InChI: InChI=1S/C12H17NO2/c1-3-13(4-2)9-12(15)10-5-7-11(14)8-6-10/h5-8,14H,3-4,9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | AttenGpKa training set | 1 » 0 |
| 10.10 | AttenGpKa training set | 0 » -1 |