Keyword(s): Human Metabolites
Molecule Category Free-form
UNII E6K14656YO
EPA CompTox DTXSID7040784

Structure

InChI Key MCVUKOYZUCWLQQ-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCc1ccccc1
InChI
InChI=1S/C19H32/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h12,14-15,17-18H,2-11,13,16H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H32
Molecular Weight 260.25
AlogP 6.54
Number of Rotational Bond 12.0
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 123-02-4
NORMAN SUSDAT
FDA SRS E6K14656YO
PubChem 31238
ChemSpider 28978.0