Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 41F44CP2NI
EPA CompTox DTXSID0066377

Structure

InChI Key NHLUYCJZUXOUBX-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3H,1,4-19H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H38
Molecular Weight 266.3
AlogP 7.43
Number of Rotational Bond 16.0
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 18435-45-5
NORMAN SUSDAT
FDA SRS 41F44CP2NI
PubChem 29075
ChemSpider 27049.0