Molecule ID: mol8574
SMILES: COC(=O)C[C@@H](N)c1ccccc1
InChI: InChI=1S/C10H13NO2/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.41 | IUPAC digitized pKa | 1 » 0 |
| 6.73 | IUPAC digitized pKa | 1 » 0 |
| 7.00 | IUPAC digitized pKa | 1 » 0 |
| 7.05 | IUPAC digitized pKa | 1 » 0 |
| 7.18 | IUPAC digitized pKa | 1 » 0 |