Keyword(s): Human Metabolites
Molecule Category Free-form
UNII BQC7C2WO2K
EPA CompTox DTXSID3062289

Structure

InChI Key SZKKNEOUHLFYNA-UHFFFAOYSA-N
Smiles CCCCCCCCCCC#N
InChI
InChI=1S/C11H21N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H21N1
Molecular Weight 167.17
AlogP 4.04
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 2244-07-7
NORMAN SUSDAT
FDA SRS BQC7C2WO2K
PubChem 16722
ChemSpider 15853.0