Molecule ID: mol33049
SMILES: O=C(O)CCCC(C(=O)O)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C18H18O4/c19-16(20)12-7-13-18(17(21)22,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H,19,20)(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.17 | QSARToolbox | 0 » -1 |
| 4.17 | QSARToolbox | 0 » -1 |
| 4.47 | OCHEM | -1 » -2 |
| 4.47 | OCHEM | -1 » -2 |
| 5.40 | QSARToolbox | -1 » -2 |
| 5.40 | QSARToolbox | -1 » -2 |