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

Structure

InChI Key IVILGUFRMDBUEQ-UHFFFAOYSA-N
Smiles [I-].[I-].[I-].[H+].[H+].[I-].[Hg++].Nc1ccc(I)cn1.Nc2ccc(I)cn2
InChI
InChI=1S/C5H5IN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5I1N2
Molecular Weight 219.95
AlogP 1.1
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Polar Surface Area 39.64
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 63325-16-6
NORMAN SUSDAT