Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZIQ29H6CZG
EPA CompTox DTXSID8043941

Structure

InChI Key FEWLNYSYJNLUOO-UHFFFAOYSA-N
Smiles O=CN1CCCCC1
InChI
InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11N1O1
Molecular Weight 113.08
AlogP 0.63
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.31
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 2591-86-8
NORMAN SUSDAT
FDA SRS ZIQ29H6CZG
PubChem 17429
ChemSpider 16486.0