Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3JJ4O33LAY
EPA CompTox DTXSID8046872

Structure

InChI Key TWFQKNGANGSSRM-UHFFFAOYSA-M
Smiles Oc1ccc([Hg]Cl)cc1
InChI
InChI=1S/C6H5O.ClH.Hg/c7-6-4-2-1-3-5-6;;/h2-5,7H;1H;/q;;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5Cl1Hg1O1
Molecular Weight 329.97
AlogP 0.58
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.06
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 623-07-4
NORMAN SUSDAT
FDA SRS 3JJ4O33LAY