Molecule ID: mol14623
SMILES: O=C(O)C(c1ccc(-c2ccccc2)cc1)C(O)C1CCCCC1
InChI: InChI=1S/C21H24O3/c22-20(18-9-5-2-6-10-18)19(21(23)24)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,18-20,22H,2,5-6,9-10H2,(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.19 | Datawarrior | 0 » -1 |
| 4.19 | QSARToolbox | 0 » -1 |
| 4.19 | OCHEM | 0 » -1 |