Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6S84VV9MLG
EPA CompTox DTXSID8062028

Structure

InChI Key DFJYZCUIKPGCSG-UHFFFAOYSA-N
Smiles N#CCCCCCCCCC#N
InChI
InChI=1S/C10H16N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16N2
Molecular Weight 164.13
AlogP 3.15
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 47.58
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 1871-96-1
NORMAN SUSDAT
FDA SRS 6S84VV9MLG
PubChem 74639
ChemSpider 67214.0