Mrv0541 02241205272D          

 26 27  0  0  0  0            999 V2000
    0.4125    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Sb  0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0898   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3754   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3754   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0898   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8043   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8043   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0898    0.0000    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    5.8043    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8043    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5188    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2333    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2333    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5188    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3754    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6609    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9464    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9464    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6609    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3754    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 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
 14 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   2  -1  14   1
M  END
> <DATABASE_ID>
T3D1897

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/C19H15.6ClH.Sb/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;/h1-15H;6*1H;/q+1;;;;;;;+5/p-6

> <INCHI_KEY>
GASWLBDVMZXHOP-UHFFFAOYSA-H

> <FORMULA>
C19H15Cl6Sb

> <MOLECULAR_WEIGHT>
577.8

> <EXACT_MASS>
573.834309766

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
28.18505543855921

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexachlorostibanuide; triphenylmethylium

> <ALOGPS_LOGP>
7.57

> <JCHEM_LOGP>
2.0307067670000007

> <ALOGPS_LOGS>
-8.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
79.58690000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.76e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
hexachlorostibanuide; triphenylmethylium

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1897

> <NAME>
Triphenylcarbenium hexachloroantimonate

> <CAS>
52704-88-8

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

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