Mrv0541 02241204222D          

  6  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cd  0  0  0  0  0  0  0  0  0  0  0  0
    2.8286   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0000    0.0000 W   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.8250    0.0000 O   0  0  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
  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  END
> <DATABASE_ID>
T3D0388

> <DATABASE_NAME>
t3db

> <SMILES>
[Cd].O[W](O)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/Cd.2H2O.2O.W/h;2*1H2;;;/q;;;;;+2/p-2

> <INCHI_KEY>
QRQLLTWSVBMODD-UHFFFAOYSA-L

> <FORMULA>
CdH2O4W

> <MOLECULAR_WEIGHT>
362.26

> <EXACT_MASS>
363.849599226

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
6.510685281089672

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dioxotungstendiol cadmium

> <JCHEM_LOGP>
-1.7751999999999997

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.804086687440304

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.500040005348577

> <JCHEM_POLAR_SURFACE_AREA>
74.6

> <JCHEM_REFRACTIVITY>
8.015

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
tungstic acid cadmium

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0388

> <NAME>
Cadmium tungstate

> <CAS>
7790-85-4

> <SYNONYMS>
Cadmium tungstic acid; Cadmium(2+) tungstate; Cadmium(II) tungstate; CdWO4; CWO; Tungstic acid, cadmium salt

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

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