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

Structure

InChI Key JDDAFHUEOVUDFJ-UHFFFAOYSA-N
Smiles Ic1ccccc1C#N
InChI
InChI=1S/C7H4IN/c8-7-4-2-1-3-6(7)5-9/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4I1N1
Molecular Weight 228.94
AlogP 2.16
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 4387-36-4
NORMAN SUSDAT