Molecule ID: mol11392
SMILES: NCc1ccc(CCC(=O)O)cc1
InChI: InChI=1S/C10H13NO2/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-4H,5-7,11H2,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.28 | IUPAC digitized pKa | 1 » 0 |
| 4.28 | AttenGpKa training set | 1 » 0 |