Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID7073484

Structure

InChI Key QGLWBTPVKHMVHM-MDZDMXLPSA-N
Smiles CCCCCCCCC=CCCCCCCCCN
InChI
InChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-19H2,1H3/b10-9+

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H37N1
Molecular Weight 267.29
AlogP 5.98
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 15.0
Polar Surface Area 26.02
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 36505-83-6
NORMAN SUSDAT
PubChem 6258392
ChemSpider 4864652.0