Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VYD9Q3XP60
EPA CompTox DTXSID8066426

Structure

InChI Key QEXZDYLACYKGOM-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C28H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-28H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H56
Molecular Weight 392.44
AlogP 10.94
Number of Rotational Bond 25.0
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 18835-34-2
NORMAN SUSDAT
FDA SRS VYD9Q3XP60
PubChem 87821
ChemSpider 79231.0