Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MT243CE29P
EPA CompTox DTXSID1060895

Structure

InChI Key JLZUZNKTTIRERF-UHFFFAOYSA-N
Smiles c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChI
InChI=1S/C26H20/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H20
Molecular Weight 332.16
AlogP 6.69
Number of Rotational Bond 4.0
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 632-51-9
NORMAN SUSDAT
FDA SRS MT243CE29P
PubChem 69437
ChemSpider 62645.0