Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6Q10KP3P20
EPA CompTox DTXSID6022183

Structure

InChI Key PLZZPPHAMDJOSR-UHFFFAOYSA-N
Smiles CCCCCCCCC#N
InChI
InChI=1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H17N1
Molecular Weight 139.14
AlogP 3.26
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 23.79
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 2243-27-8
NORMAN SUSDAT
FDA SRS 6Q10KP3P20
PubChem 16715
ChemSpider 15846.0