Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70887143

Structure

InChI Key SBVKABQEJSQEOZ-UHFFFAOYSA-N
Smiles O=C(OC)C(N1CC1)CC
InChI
InChI=1/C7H13NO2/c1-3-6(7(9)10-2)8-4-5-8/h6H,3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13NO2
Molecular Weight 143.09
AlogP 0.25
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 29.31
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 68083-50-1
NORMAN SUSDAT
PubChem 107096