Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 56R67P666M
EPA CompTox DTXSID6059994

Structure

InChI Key MGRRGKWPEVFJSH-UHFFFAOYSA-N
Smiles O=C1c2ccccc2C(=C2c3ccccc3C(=O)c3c2cccc3)c2c1cccc2
InChI
InChI=1S/C28H16O2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16H

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H16O2
Molecular Weight 384.12
AlogP 5.78
Hydrogen Bond Acceptor 2.0
Polar Surface Area 34.14
Heavy Atoms 30.0

Cross References

Resources Reference
CAS NUMBER 434-85-5
NORMAN SUSDAT
FDA SRS 56R67P666M
PubChem 67948
ChemSpider 61265.0