Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30992565

Structure

InChI Key STSAIUCZKQGPNG-UHFFFAOYSA-N
Smiles OCC(N1CCNCC1)C
InChI
InChI=1/C7H16N2O/c1-7(6-10)9-4-2-8-3-5-9/h7-8,10H,2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H16N2O
Molecular Weight 144.13
AlogP -0.73
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 35.5
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 71850-04-9
NORMAN SUSDAT
PubChem 70629