Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 39HL93NE0R
EPA CompTox DTXSID4061707

Structure

InChI Key DEQLTFPCJRGSHW-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCc1ccccc1
InChI
InChI=1S/C22H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H38
Molecular Weight 302.3
AlogP 7.71
Number of Rotational Bond 15.0
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 1459-09-2
NORMAN SUSDAT
FDA SRS 39HL93NE0R
PubChem 15085
ChemSpider 14357.0