Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S6QJ6KXS4Q
EPA CompTox DTXSID4058863

Structure

InChI Key ADJYQFBOMQAMAI-UHFFFAOYSA-N
Smiles O=C1c2cccc(Oc3ccccc3)c2C(=O)c2c1cccc2Oc1ccccc1
InChI
InChI=1S/C26H16O4/c27-25-19-13-7-15-21(29-17-9-3-1-4-10-17)23(19)26(28)24-20(25)14-8-16-22(24)30-18-11-5-2-6-12-18/h1-16H

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H16O4
Molecular Weight 392.1
AlogP 6.05
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 52.6
Heavy Atoms 30.0

Cross References

Resources Reference
CAS NUMBER 82-17-7
NORMAN SUSDAT
FDA SRS S6QJ6KXS4Q
PubChem 66501
ChemSpider 59872.0