Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WS6HS8YEK7
EPA CompTox DTXSID60195042

Structure

InChI Key AFGNVSCTEXUEJE-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCCCCCl
InChI
InChI=1S/C20H41Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-20H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H41Cl1
Molecular Weight 316.29
AlogP 8.27
Number of Rotational Bond 18.0
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 42217-02-7
NORMAN SUSDAT
FDA SRS WS6HS8YEK7
PubChem 39150
ChemSpider 35818.0