Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80198631

Structure

InChI Key KKWHJFKPVHVBSZ-UHFFFAOYSA-N
Smiles C=C(CCCC#N)CCCC#N
InChI
InChI=1S/C10H14N2/c1-10(6-2-4-8-11)7-3-5-9-12/h1-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14N2
Molecular Weight 162.12
AlogP 2.93
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 47.58
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 50592-61-5
NORMAN SUSDAT
PubChem 3016531
ChemSpider 2284465.0