Keyword(s): Human Metabolites
Molecule Category Free-form
UNII K6Y8BG5QK2
EPA CompTox DTXSID70195331

Structure

InChI Key SVPZJHKVRMRREG-UHFFFAOYSA-N
Smiles N#CC1CCCC1
InChI
InChI=1S/C6H9N/c7-5-6-3-1-2-4-6/h6H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H9N1
Molecular Weight 95.07
AlogP 1.7
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 4254-02-8
NORMAN SUSDAT
FDA SRS K6Y8BG5QK2
PubChem 77935
ChemSpider 70325.0