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

Structure

InChI Key JYXGTTLIHJHMIQ-UHFFFAOYSA-M
Smiles Cc1cccc([Hg]Cl)c1
InChI
InChI=1/C7H7.ClH.Hg/c1-7-5-3-2-4-6-7;;/h2-3,5-6H,1H3;1H;/q;;+1/p-1/rC7H7ClHg/c1-6-3-2-4-7(5-6)9-8/h2-5H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7ClHg
Molecular Weight 327.99
AlogP 1.86
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 5955-19-1
NORMAN SUSDAT