Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EXK5ZB5CF6
EPA CompTox DTXSID8073215

Structure

InChI Key VODKOOOHHCAWFR-UHFFFAOYSA-N
Smiles ICC#N
InChI
InChI=1S/C2H2IN/c3-1-2-4/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H2I1N1
Molecular Weight 166.92
AlogP 0.94
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 4.0

Cross References

Resources Reference
CAS NUMBER 624-75-9
NORMAN SUSDAT
FDA SRS EXK5ZB5CF6
PubChem 69356
ChemSpider 62565.0