Molecule ID: mol15643
SMILES: O=C(O)C(c1ccc(-c2ccccc2)cc1)C1(O)CCCCC1
InChI: InChI=1S/C20H22O3/c21-19(22)18(20(23)13-5-2-6-14-20)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h1,3-4,7-12,18,23H,2,5-6,13-14H2,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.59 | OCHEM | 0 » -1 |
| 3.59 | QSARToolbox | 0 » -1 |
| 3.59 | Datawarrior | 0 » -1 |