Molecule ID: mol14723
SMILES: CCC(O)C(C(=O)O)c1ccc(-c2ccccc2)cc1
InChI: InChI=1S/C17H18O3/c1-2-15(18)16(17(19)20)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,15-16,18H,2H2,1H3,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.16 | OCHEM | 0 » -1 |
| 4.16 | QSARToolbox | 0 » -1 |
| 4.16 | Datawarrior | 0 » -1 |