Mrv0541 10141413542D          

  7  4  0  0  0  0            999 V2000
    2.0892   -0.8035    0.0000 Hg  0  3  0  0  0  0  0  0  0  0  0  0
    2.8285   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8285    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8285    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6536    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7196    0.7678    0.0000 Hg  0  3  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
M  CHG  4   1   1   2  -1   4  -1   7   1
M  END
> <DATABASE_ID>
T3D0358

> <DATABASE_NAME>
t3db

> <SMILES>
[Hg+].[Hg+].[O-]S([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/2Hg.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2

> <INCHI_KEY>
MINVSWONZWKMDC-UHFFFAOYSA-L

> <FORMULA>
Hg2O4S

> <MOLECULAR_WEIGHT>
497.24

> <EXACT_MASS>
499.892980386

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805278247285031

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dimercury(1+) ion sulfate

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.034349054191991

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
dimercury(1+) ion sulfate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0358

> <NAME>
Mercury(I) sulfate

> <CAS>
7783-36-0

> <SYNONYMS>
Dimercuary(1+) sulfate; Dimercury sulfate; Dimercury sulphate; Dimercury(1+) sulphate; Hg2SO4; Mercurous sulfate; Mercurous sulphate; Mercury sulfate; Mercury(1) sulphate; Mercury(I) sulfic acid; Mercury(I) sulphate; Mercury(I) sulphic acid; Sulfuric acid, dimercury salt; Sulfuric acid, dimercury(1+) salt

> <TYPES>
Inorganic Compound; Mercury Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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