Mrv1572004161622042D          

 22 21  0  0  0  0            999 V2000
   -0.0000   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4143    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3147   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0291   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6002   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0291    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6002    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3147    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3147    1.4143    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -5.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7107    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -4.1250    0.0000 Sb  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
M  RAD  3   5   2  12   2  19   2
M  END
> <DATABASE_ID>
CHEM001648

> <DATABASE_NAME>
chemdb

> <SMILES>
[SbH3].BrC1=CC=C=C[CH]1.BrC1=CC=C=C[CH]1.BrC1=CC=C=C[CH]1

> <INCHI_IDENTIFIER>
InChI=1S/3C6H4Br.Sb.3H/c3*7-6-4-2-1-3-5-6;;;;/h3*2-5H;;;;

> <INCHI_KEY>
GQPAQFLARLRVSW-UHFFFAOYSA-N

> <FORMULA>
C18H15Br3Sb

> <MOLECULAR_WEIGHT>
592.79

> <EXACT_MASS>
588.7762

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
11.676078570727178

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <ALOGPS_LOGP>
3.09

> <JCHEM_LOGP>
1.6016

> <ALOGPS_LOGS>
-1.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
35.846999999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.44e+00 g/l

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1901

> <NAME>
Tris(4-bromophenyl)antimony

> <CAS>
17946-45-1

> <SYNONYMS>
Tris(4-bromophenyl)antimony(V)

> <TYPES>
Organic Compound; Aromatic Hydrocarbon; Organobromide; Antimony Compound; Organometallic; Bromide Compound; Pollutant; Food Toxin; Synthetic Compound

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