Molecule ID: mol20541
SMILES: CCCCCCCOc1cc(N)ccc1C(=O)O
InChI: InChI=1S/C14H21NO3/c1-2-3-4-5-6-9-18-13-10-11(15)7-8-12(13)14(16)17/h7-8,10H,2-6,9,15H2,1H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.30 | OCHEM | 0 » -1 |
| 5.30 | Baltruschat ChEMBL | 0 » -1 |
| 5.30 | AttenGpKa training set | 0 » -1 |