Molecule ID: mol20538
SMILES: CCCCCOc1cc(N)ccc1C(=O)O
InChI: InChI=1S/C12H17NO3/c1-2-3-4-7-16-11-8-9(13)5-6-10(11)12(14)15/h5-6,8H,2-4,7,13H2,1H3,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.10 | OCHEM | 0 » -1 |
| 5.10 | Baltruschat ChEMBL | 0 » -1 |
| 5.10 | AttenGpKa training set | 0 » -1 |