Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HT726CY8JQ
EPA CompTox DTXSID6060216

Structure

InChI Key DYGWZUBGVKYLJJ-UHFFFAOYSA-N
Smiles Cc1ccc([Hg]c2ccc(C)cc2)cc1
InChI
InChI=1/2C7H7.Hg/c2*1-7-5-3-2-4-6-7;/h2*3-6H,1H3;/rC14H14Hg/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/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 537-64-4
NORMAN SUSDAT
FDA SRS HT726CY8JQ