Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZN7Y5PP2KW
EPA CompTox DTXSID7061015

Structure

InChI Key SYSZENVIJHPFNL-UHFFFAOYSA-N
Smiles COc1ccc(I)cc1
InChI
InChI=1S/C7H7IO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7I1O1
Molecular Weight 233.95
AlogP 2.3
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 9.23
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 696-62-8
NORMAN SUSDAT
FDA SRS ZN7Y5PP2KW
PubChem 69676
ChemSpider 8330.0