Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID70892934

Structure

InChI Key XKASBOWKUMMUIA-UHFFFAOYSA-N
Smiles [K+].[O-][N+]([O-])=NC1CCCCC1
InChI
InChI=1S/C6H11N2O2.K/c9-8(10)7-6-4-2-1-3-5-6;/h6H,1-5H2;/q-1;+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12N2O2
Molecular Weight 182.05
AlogP -1.11
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 57.24
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 66603-10-9
NORMAN SUSDAT