Keyword(s): Human Metabolites
Molecule Category Free-form
UNII I0Y9J0O95A
EPA CompTox DTXSID1051729

Structure

InChI Key JZALLXAUNPOCEU-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCc1ccccc1
InChI
InChI=1S/C20H34/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h13,15-16,18-19H,2-12,14,17H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H34
Molecular Weight 274.27
AlogP 6.93
Number of Rotational Bond 13.0
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 1459-10-5
NORMAN SUSDAT
FDA SRS I0Y9J0O95A
PubChem 15086
ChemSpider 14358.0