Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZFH45ZPW2Q
EPA CompTox DTXSID50232753

Structure

InChI Key IOEHXNCBPIBDBZ-UHFFFAOYSA-N
Smiles Cc1c(N)cc(I)cc1
InChI
InChI=1S/C7H8IN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H8I1N1
Molecular Weight 232.97
AlogP 2.18
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 83863-33-6
NORMAN SUSDAT
FDA SRS ZFH45ZPW2Q
PubChem 522802
ChemSpider 456040.0