Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40189287

Structure

InChI Key LMLOMLKWSBMPHD-UHFFFAOYSA-N
Smiles ICOc1ccccc1
InChI
InChI=1S/C7H7IO/c8-6-9-7-4-2-1-3-5-7/h1-5H,6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7I1O1
Molecular Weight 233.95
AlogP 2.46
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 35745-35-8
NORMAN SUSDAT
PubChem 118867
ChemSpider 61555.0