Molecule ID: mol29034
SMILES: CCCCCCC(C)C(Oc1ccccc1)C(=O)O
InChI: InChI=1S/C16H24O3/c1-3-4-5-7-10-13(2)15(16(17)18)19-14-11-8-6-9-12-14/h6,8-9,11-13,15H,3-5,7,10H2,1-2H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.53 | AttenGpKa training set | 0 » -1 |