Molecule ID: mol20537
SMILES: CCCCOc1cc(N)ccc1C(=O)O
InChI: InChI=1S/C11H15NO3/c1-2-3-6-15-10-7-8(12)4-5-9(10)11(13)14/h4-5,7H,2-3,6,12H2,1H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.25 | OCHEM | 0 » -1 |
| 5.25 | Baltruschat ChEMBL | 0 » -1 |