Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HV7V53CV5Y
EPA CompTox DTXSID60199540

Structure

InChI Key WZCXOBMFBKSSFA-UHFFFAOYSA-N
Smiles OCc1c(I)cccc1
InChI
InChI=1S/C7H7IO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7I1O1
Molecular Weight 233.95
AlogP 1.78
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.23
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 5159-41-1
NORMAN SUSDAT
FDA SRS HV7V53CV5Y
PubChem 107629
ChemSpider 96816.0