Molecule ID: mol3426
SMILES: CC(N)C(O)c1ccc(O)cc1
InChI: InChI=1S/C9H13NO2/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6,9,11-12H,10H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.69 | OCHEM | 1 » 0 |
| 8.70 | QSARToolbox | 1 » 0 |
| 8.70 | IUPAC digitized pKa | 1 » 0 |
| 8.70 | OCHEM | 1 » 0 |
| 8.70 | AttenGpKa training set | 1 » 0 |