Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MSG4U9AQ89
EPA CompTox DTXSID80873052

Structure

InChI Key OMXANELYEWRDAW-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C26H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-26H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H52
Molecular Weight 364.41
AlogP 10.16
Number of Rotational Bond 23.0
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 18835-33-1
NORMAN SUSDAT
FDA SRS MSG4U9AQ89
PubChem 29303
ChemSpider 27252.0