Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00173506

Structure

InChI Key GWCFTYITFDWLAY-UHFFFAOYSA-N
Smiles CCN1CCCCCC1=O
InChI
InChI=1S/C8H15NO/c1-2-9-7-5-3-4-6-8(9)10/h2-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15N1O1
Molecular Weight 141.12
AlogP 1.41
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.31
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 19797-08-1
NORMAN SUSDAT
PubChem 29779
ChemSpider 27672.0