Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII QV3QF1EF2P

Structure

InChI Key HKWWDSQUZURFQR-UHFFFAOYSA-N
Smiles [Cl-].Cc1ccc([I+]c2ccc(C)cc2)cc1
InChI
InChI=1S/C14H14I/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10H,1-2H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H14I1
Molecular Weight 309.01
AlogP 0.43
Number of Rotational Bond 2.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 19028-28-5
NORMAN SUSDAT
FDA SRS QV3QF1EF2P