Molecule ID: mol8594
SMILES: COC(=O)[C@@H](N)Cc1ccc(O)cc1
InChI: InChI=1S/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.04 | AttenGpKa training set | 1 » 0 |
| 7.09 | IUPAC digitized pKa | 1 » 0 |
| 9.73 | AttenGpKa training set | 0 » -1 |
| 9.89 | IUPAC digitized pKa | 0 » -1 |