Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID5067130

Structure

InChI Key JCTYXESWNZITDY-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCN1CCOCC1
InChI
InChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22-20-18-21/h2-20H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H41N1O1
Molecular Weight 311.32
AlogP 5.8
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 15.0
Polar Surface Area 12.47
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 25727-91-7
NORMAN SUSDAT
PubChem 117615
ChemSpider 105104.0