Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4A7LQ6VP7T
EPA CompTox DTXSID30205940

Structure

InChI Key DNAYRSBMBDMJNU-UHFFFAOYSA-N
Smiles N#CC=C1CCCC1
InChI
InChI=1S/C7H9N/c8-6-5-7-3-1-2-4-7/h5H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9N1
Molecular Weight 107.07
AlogP 2.01
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 5732-88-7
NORMAN SUSDAT
FDA SRS 4A7LQ6VP7T
PubChem 79810
ChemSpider 72103.0