MERCURY, CHLORO[P-(2,4-DINITROANILINO)PHENYL]-

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key NRUITAHXRFYGBL-UHFFFAOYSA-M
Smiles [O-][N+](=O)c1ccc(Nc2ccc([Hg]Cl)cc2)c(c1)[N+]([O-])=O
InChI
InChI=1S/C12H8N3O4.ClH.Hg/c16-14(17)10-6-7-11(12(8-10)15(18)19)13-9-4-2-1-3-5-9;;/h2-8,13H;1H;/q;;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H8Cl1Hg1N3O4
Molecular Weight 494.99
AlogP -0.27
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 98.31
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 15785-93-0
NORMAN SUSDAT
CONTENTS