Keyword(s): Human Metabolites
Molecule Category Free-form
UNII IPO4LYQ1EN
EPA CompTox DTXSID20862304

Structure

InChI Key GHICCUXQJBDNRN-UHFFFAOYSA-N
Smiles O=C(O)C1=CC=C(I)C=C1
InChI
InChI=1/C7H5IO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5IO2
Molecular Weight 247.93
AlogP 1.99
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 37.3
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 619-58-9
NORMAN SUSDAT
FDA SRS IPO4LYQ1EN
PubChem 12085