Molecule ID: mol5488
SMILES: CCOC(=O)[C@@H](N)Cc1ccc(OC)cc1
InChI: InChI=1S/C12H17NO3/c1-3-16-12(14)11(13)8-9-4-6-10(15-2)7-5-9/h4-7,11H,3,8,13H2,1-2H3/t11-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.31 | QSARToolbox | 1 » 0 |
| 7.31 | IUPAC digitized pKa | 1 » 0 |
| 7.31 | AttenGpKa training set | 1 » 0 |