Molecule ID: mol20542
SMILES: CCCCCCCCOc1cc(N)ccc1C(=O)O
InChI: InChI=1S/C15H23NO3/c1-2-3-4-5-6-7-10-19-14-11-12(16)8-9-13(14)15(17)18/h8-9,11H,2-7,10,16H2,1H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.40 | OCHEM | 0 » -1 |
| 5.40 | Baltruschat ChEMBL | 0 » -1 |
| 5.40 | AttenGpKa training set | 0 » -1 |