Mrv1572004161621592D          

  4  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cd  0  2  0  0  0  0  0  0  0  0  0  0
    1.8857    0.0000    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   2
M  END
> <DATABASE_ID>
CHEM001164

> <DATABASE_NAME>
chemdb

> <SMILES>
S.S.[Cd++].[Hg]

> <INCHI_IDENTIFIER>
InChI=1S/Cd.Hg.2H2S/h;;2*1H2/q+2;;;

> <INCHI_KEY>
QJATWRZRBHFCQW-UHFFFAOYSA-N

> <FORMULA>
CdH4HgS2

> <MOLECULAR_WEIGHT>
381.15

> <EXACT_MASS>
383.848353

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
cadmium(2+) ion mercury disulfane

> <ALOGPS_LOGP>
0.70

> <JCHEM_LOGP>
-0.07

> <ALOGPS_LOGS>
-0.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
3.55

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.09

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.01e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cadmium(2+) ion mercury disulfane

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1346

> <NAME>
Cadmium mercury sulfide

> <CAS>
1345-09-1

> <SYNONYMS>
1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide; Cadmium mercury sulphide

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

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