Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50193254

Structure

InChI Key HJBGMPCMSWJZNH-UHFFFAOYSA-N
Smiles Oc1c(I)nccc1
InChI
InChI=1S/C5H4INO/c6-5-4(8)2-1-3-7-5/h1-3,8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4I1N1O1
Molecular Weight 220.93
AlogP 1.39
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 33.12
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 40263-57-8
NORMAN SUSDAT
PubChem 97179
ChemSpider 87714.0