Molecule ID: mol33069
SMILES: COC(=O)C(CCCC(=O)O)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C19H20O4/c1-23-18(22)19(14-8-13-17(20)21,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12H,8,13-14H2,1H3,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.84 | OCHEM | 0 » -1 |
| 4.84 | QSARToolbox | 0 » -1 |
| 4.84 | QSARToolbox | 0 » -1 |