Mrv0541 02241205252D          

  6  1  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4786    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8286   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036   -1.6500    0.0000 W   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1767

> <DATABASE_NAME>
t3db

> <SMILES>
Br.Br.Br.Br.O=[W]

> <INCHI_IDENTIFIER>
InChI=1S/4BrH.O.W/h4*1H;;

> <INCHI_KEY>
BZIYIWRMSLNLIL-UHFFFAOYSA-N

> <FORMULA>
Br4H4OW

> <MOLECULAR_WEIGHT>
523.49

> <EXACT_MASS>
519.650497891

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
2.8789761653518973

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
oxotungsten tetrahydrobromide

> <JCHEM_LOGP>
-0.3514

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.2139958915076362

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
1.4429

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
tungsten oxide tetrahydrobromide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1767

> <NAME>
Tungsten(VI) oxytetrabromide

> <CAS>
13520-77-9

> <SYNONYMS>
WOBr4

> <TYPES>
Inorganic Compound; Bromide Compound; Industrial/Workplace Toxin; Synthetic Compound

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