Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LWL4FC4MZM
EPA CompTox DTXSID10149813

Structure

InChI Key XDELKSRGBLWMBA-UHFFFAOYSA-N
Smiles Ic1cnccc1
InChI
InChI=1S/C5H4IN/c6-5-2-1-3-7-4-5/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4I1N1
Molecular Weight 204.94
AlogP 1.69
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1120-90-7
NORMAN SUSDAT
FDA SRS LWL4FC4MZM
PubChem 70714
ChemSpider 63879.0