Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZNJ1NXP04J
EPA CompTox DTXSID00178733

Structure

InChI Key FWBUWJHWAKTPHI-UHFFFAOYSA-N
Smiles O=CCCCCCCCCCCCCCCCCCCC
InChI
InChI=1/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h20H,2-19H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H40O
Molecular Weight 296.31
AlogP 7.23
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 18.0
Polar Surface Area 17.07
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 2400-66-0
NORMAN SUSDAT
FDA SRS ZNJ1NXP04J
PubChem 75458