Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 996Q6WT35H
EPA CompTox DTXSID10219525

Structure

InChI Key AUFIRGPROMANKW-UHFFFAOYSA-N
Smiles CN1CCC=CC1
InChI
InChI=1S/C6H11N/c1-7-5-3-2-4-6-7/h2-3H,4-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11N1
Molecular Weight 97.09
AlogP 0.88
Hydrogen Bond Acceptor 1.0
Polar Surface Area 3.24
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 694-55-3
NORMAN SUSDAT
FDA SRS 996Q6WT35H
PubChem 69666
ChemSpider 62867.0