Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII 07DFJ2NTDD
EPA CompTox DTXSID6023941

Structure

InChI Key ZQULWKDLLXZZSP-UHFFFAOYSA-N
Smiles [Ca+2].[C-]#N.[C-]#N
InChI
InChI=1/2CN.Ca/c2*1-2;/q2*-1;+2

Physicochemical Descriptors

Property Name Value
Molecular Formula C2CaN2
Molecular Weight 91.97
AlogP -0.19
Hydrogen Bond Acceptor 2.0
Polar Surface Area 47.58
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 592-01-8
NORMAN SUSDAT
FDA SRS 07DFJ2NTDD