Keyword(s): Human Metabolites
Molecule Category Free-form
UNII F33UJD465Q
EPA CompTox DTXSID30188244

Structure

InChI Key LLNQWPTUJJYTTE-UHFFFAOYSA-N
Smiles Ic1c[nH]nc1
InChI
InChI=1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3I1N2
Molecular Weight 193.93
AlogP 1.01
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 28.68
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 3469-69-0
NORMAN SUSDAT
FDA SRS F33UJD465Q
PubChem 77022
ChemSpider 69468.0