Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40984299

Structure

InChI Key DWDJOZZRBORZQE-UHFFFAOYSA-N
Smiles O=C1NCCCCC1NC
InChI
InChI=1/C7H14N2O/c1-8-6-4-2-3-5-9-7(6)10/h6,8H,2-5H2,1H3,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14N2O
Molecular Weight 142.11
AlogP 0.71
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 44.62
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 65796-91-0
NORMAN SUSDAT
PubChem 6455199