Molecule ID: mol11044
SMILES: NCc1ccc(CC(=O)O)cc1
InChI: InChI=1S/C9H11NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.88 | IUPAC digitized pKa | 1 » 0 |
| 3.88 | AttenGpKa training set | 1 » 0 |