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

Structure

InChI Key HUUNIMCCAGNBDF-UHFFFAOYSA-N
Smiles Cc1cc(I)cc(C)c1O
InChI
InChI=1S/C8H9IO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9I1O1
Molecular Weight 247.97
AlogP 2.61
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 10570-67-9
NORMAN SUSDAT