Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10960449

Structure

InChI Key KCCLFMFYEDPKEL-UHFFFAOYSA-N
Smiles O=C(OCC)C1N2CCC(CC2)C1
InChI
InChI=1/C10H17NO2/c1-2-13-10(12)9-7-8-3-5-11(9)6-4-8/h8-9H,2-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H17NO2
Molecular Weight 183.13
AlogP 1.03
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 29.54
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 39926-11-9
NORMAN SUSDAT
PubChem 12462392