Molecule ID: mol8457
SMILES: COc1ccc(C(=O)O)c(N)c1
InChI: InChI=1S/C8H9NO3/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.94 | IUPAC digitized pKa | 1 » 0 |
| 2.06 | IUPAC digitized pKa | 1 » 0 |
| 2.06 | IUPAC digitized pKa | 1 » 0 |
| 4.71 | IUPAC digitized pKa | 0 » -1 |
| 4.88 | IUPAC digitized pKa | 0 » -1 |
| 4.88 | IUPAC digitized pKa | 0 » -1 |