Molecule ID: mol14724
SMILES: CC(C)(O)C(C(=O)O)c1ccc(-c2ccccc2)cc1
InChI: InChI=1S/C17H18O3/c1-17(2,20)15(16(18)19)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,15,20H,1-2H3,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.76 | QSARToolbox | 0 » -1 |
| 3.76 | Datawarrior | 0 » -1 |
| 3.76 | OCHEM | 0 » -1 |