Molecule ID: mol15453
SMILES: CC(O)C(C(=O)O)c1ccc(C2CCCCC2)cc1
InChI: InChI=1S/C16H22O3/c1-11(17)15(16(18)19)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12,15,17H,2-6H2,1H3,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.21 | Datawarrior | 0 » -1 |
| 4.21 | OCHEM | 0 » -1 |
| 4.21 | QSARToolbox | 0 » -1 |