Mrv0541 02241205182D          

 10  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    1.0018    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.1214    0.0000    0.0000 Hg  0  2  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 Hg  0  2  0  0  0  0  0  0  0  0  0  0
    1.1196   -2.4750    0.0000 Hg  0  2  0  0  0  0  0  0  0  0  0  0
    3.9482   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9482   -2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9482   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7732   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1232   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  2  0  0  0  0
M  CHG  7   1  -2   2  -2   3   2   4   2   5   2   6  -1   8  -1
M  END
> <DATABASE_ID>
T3D1345

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/3Hg.H2O4S.2O/c;;;1-5(2,3)4;;/h;;;(H2,1,2,3,4);;/q3*+2;;2*-2/p-2

> <INCHI_KEY>
SZAAFGJXWYCFPL-UHFFFAOYSA-L

> <FORMULA>
Hg3O6S

> <MOLECULAR_WEIGHT>
729.83

> <EXACT_MASS>
733.853435234

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805291890677037

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trimercury(2+) ion dioxidandiide 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>
0

> <JCHEM_TRADITIONAL_IUPAC>
trimercury(2+) ion dioxidandiide sulfate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1345

> <NAME>
Mercury oxide sulfate

> <CAS>
1312-03-4

> <SYNONYMS>
Basic mercuric sulfate; Mercuric basic sulfate; Mercuric subsulfate; Mercury oxide sulfic acid; Mercury oxide sulphate; Mercury oxide sulphic acid; Mercury oxonium sulfate; Mercury sulfate, basic; Trimercury dioxide sulphate; Turpeth mineral

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

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