Molecule ID: mol5446
SMILES: CC(=O)c1cccc(NCC(=O)O)c1
InChI: InChI=1S/C10H11NO3/c1-7(12)8-3-2-4-9(5-8)11-6-10(13)14/h2-5,11H,6H2,1H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.14 | IUPAC digitized pKa | 1 » 0 |
| 1.14 | AttenGpKa training set | 1 » 0 |
| 3.93 | IUPAC digitized pKa | 0 » -1 |
| 3.93 | AttenGpKa training set | 0 » -1 |