Mrv0541 02241205272D          

 26 28  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    4.5964   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8820   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8820   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5964   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3109   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3109   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5964    0.0000    0.0000 Sb  0  3  0  0  0  0  0  0  0  0  0  0
    4.5964    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8820    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8820    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5964    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3109    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3109    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4214    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8339    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6589    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6589   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8339   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7714    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3589   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5339   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1214    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5339    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3589    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
  8 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
M  CHG  2   1  -1   8   1
M  END
> <DATABASE_ID>
T3D1885

> <DATABASE_NAME>
t3db

> <SMILES>
[Br-].C1=CC=C(C=C1)[Sb+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/4C6H5.BrH.Sb/c4*1-2-4-6-5-3-1;;/h4*1-5H;1H;/q;;;;;+1/p-1

> <INCHI_KEY>
MRSXZVCXTGNNFI-UHFFFAOYSA-M

> <FORMULA>
C24H20BrSb

> <MOLECULAR_WEIGHT>
510.08

> <EXACT_MASS>
507.978656331

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
38.59295805689594

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetraphenylstibanylium bromide

> <ALOGPS_LOGP>
6.59

> <JCHEM_LOGP>
6.4144

> <ALOGPS_LOGS>
-7.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
101.89720000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.29e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetraphenylstibonium bromide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1885

> <NAME>
Tetraphenylantimony bromide

> <CAS>
16894-69-2

> <SYNONYMS>
Stibonium, tetraphenyl-, bromide; Tetraphenylstibanium bromide; Tetraphenylstibonium bromide

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

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