Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6074916

Structure

InChI Key NRZJSHMHHFWKBV-UHFFFAOYSA-N
Smiles C=CCCCCCCCCC#N
InChI
InChI=1S/C11H19N/c1-2-3-4-5-6-7-8-9-10-11-12/h2H,1,3-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H19N1
Molecular Weight 165.15
AlogP 3.82
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 23.79
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 53179-04-7
NORMAN SUSDAT
PubChem 104424