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

Structure

InChI Key DWNDOWPLWVPZOT-UHFFFAOYSA-N
Smiles NCCN[Cu]NCCN
InChI
InChI=1S/2C2H7N2.Cu/c2*3-1-2-4;/h2*3H,1-2,4H2;/q2*-1;+2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H14Cu1N4
Molecular Weight 181.05
AlogP -0.01
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 99.64
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 13426-91-0
NORMAN SUSDAT