Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80990430

Structure

InChI Key DFLPEEAGRQDYGF-UHFFFAOYSA-N
Smiles OCC(O)CNCCC
InChI
InChI=1/C6H15NO2/c1-2-3-7-4-6(9)5-8/h6-9H,2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15NO2
Molecular Weight 133.11
AlogP -0.66
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 52.49
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 70189-88-7
NORMAN SUSDAT
PubChem 3017994