Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID8067444

Structure

InChI Key WOVJAWMZNOWDII-UHFFFAOYSA-N
Smiles CCCCCCC=CC#N
InChI
InChI=1/C9H15N/c1-2-3-4-5-6-7-8-9-10/h7-8H,2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H15N
Molecular Weight 137.12
AlogP 3.04
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 23.79
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 29127-83-1
NORMAN SUSDAT
PubChem 119859
ChemSpider 21162592.0