Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50873468

Structure

InChI Key MVDGSHXQMOKTDJ-UHFFFAOYSA-N
Smiles N#CCCCCCCCCCCCCCCCCCC
InChI
InChI=1/C19H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-18H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H37N
Molecular Weight 279.29
AlogP 7.16
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 16.0
Polar Surface Area 23.79
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 28623-46-3
NORMAN SUSDAT
PubChem 98566