Molecule ID: mol14245
SMILES: C[C@H](N)[C@H](O)c1ccccc1
InChI: InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.81 | Datawarrior | 1 » 0 |
| 9.05 | AttenGpKa training set | 1 » 0 |