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

Structure

InChI Key MXBDBDZPEVJJMM-UHFFFAOYSA-N
Smiles Cc1ccccc1[Hg]c2ccccc2C
InChI
InChI=1/2C7H7.Hg/c2*1-7-5-3-2-4-6-7;/h2*2-5H,1H3;/rC14H14Hg/c1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2/h3-10H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H14Hg
Molecular Weight 384.08
AlogP 2.34
Number of Rotational Bond 2.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 616-99-9
NORMAN SUSDAT