Molecule ID: mol8458
SMILES: COc1ccc(N)c(C(=O)O)c1
InChI: InChI=1S/C8H9NO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.37 | IUPAC digitized pKa | 1 » 0 |
| 2.37 | IUPAC digitized pKa | 1 » 0 |
| 5.57 | IUPAC digitized pKa | 0 » -1 |
| 5.57 | IUPAC digitized pKa | 0 » -1 |