Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60179802

Structure

InChI Key AIPVTTKYSPOWFO-UHFFFAOYSA-N
Smiles O=CN1CCCCCC1
InChI
InChI=1S/C7H13NO/c9-7-8-5-3-1-2-4-6-8/h7H,1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13N1O1
Molecular Weight 127.1
AlogP 1.02
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.31
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 25114-81-2
NORMAN SUSDAT
PubChem 91280
ChemSpider 82427.0