Molecule ID: mol15365
SMILES: CCC(C)(O)C(C(=O)O)c1ccc(-c2ccccc2)cc1
InChI: InChI=1S/C18H20O3/c1-3-18(2,21)16(17(19)20)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12,16,21H,3H2,1-2H3,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.41 | Datawarrior | 0 » -1 |
| 3.41 | QSARToolbox | 0 » -1 |
| 3.41 | OCHEM | 0 » -1 |