Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AAM97MY7YB
EPA CompTox DTXSID5029219

Structure

InChI Key SPURMHFLEKVAAS-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H44
Molecular Weight 308.34
AlogP 8.6
Number of Rotational Bond 19.0
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 1599-67-3
NORMAN SUSDAT
FDA SRS AAM97MY7YB
PubChem 74138
ChemSpider 66749.0