Molecule ID: mol33070
SMILES: COC(=O)CCCC(C(=O)O)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C19H20O4/c1-23-17(20)13-8-14-19(18(21)22,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12H,8,13-14H2,1H3,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.26 | OCHEM | 0 » -1 |
| 4.26 | QSARToolbox | 0 » -1 |
| 4.26 | QSARToolbox | 0 » -1 |