Molecule ID: mol33051
SMILES: O=C(O)CCCCC(C(=O)O)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C19H20O4/c20-17(21)13-7-8-14-19(18(22)23,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,20,21)(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.28 | QSARToolbox | 0 » -1 |
| 4.28 | QSARToolbox | 0 » -1 |
| 4.58 | OCHEM | -1 » -2 |
| 4.58 | OCHEM | -1 » -2 |
| 5.39 | QSARToolbox | -1 » -2 |
| 5.39 | QSARToolbox | -1 » -2 |