Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YN4CW7SV8Z
EPA CompTox DTXSID8060876

Structure

InChI Key WKJHMKQSIBMURP-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCC#N
InChI
InChI=1S/C13H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H25N1
Molecular Weight 195.2
AlogP 4.82
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 23.79
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 629-60-7
NORMAN SUSDAT
FDA SRS YN4CW7SV8Z
PubChem 12390
ChemSpider 11884.0