Keyword(s): Human Metabolites
Molecule Category Free-form
UNII O13O07DPF4
EPA CompTox DTXSID70169638

Structure

InChI Key HSUGDXPUFCVGES-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCNCCCCCCCCCCCCCC
InChI
InChI=1S/C28H59N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H59N1
Molecular Weight 409.46
AlogP 9.98
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 26.0
Polar Surface Area 12.03
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 17361-44-3
NORMAN SUSDAT
FDA SRS O13O07DPF4
PubChem 87077
ChemSpider 78545.0