Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EWV5DFK4MC
EPA CompTox DTXSID40197847

Structure

InChI Key HFTGJMVZTJBYLN-UHFFFAOYSA-N
Smiles N#CCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1/C22H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-21H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H43N
Molecular Weight 321.34
AlogP 8.33
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 19.0
Polar Surface Area 23.79
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 49562-27-8
NORMAN SUSDAT
FDA SRS EWV5DFK4MC
PubChem 11970505