Mrv0541 02241204382D          

 11  9  0  0  0  0            999 V2000
    0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7714    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3589    0.0000    0.0000 Sb  0  5  0  0  0  0  0  0  0  0  0  0
    2.9464   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7714   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1839    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9464    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5339    0.0000    0.0000 Cl  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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  CHG  2   2   1   6  -1
M  END
> <DATABASE_ID>
T3D1891

> <DATABASE_NAME>
t3db

> <SMILES>
C[O+](C)C.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C3H9O.6ClH.Sb/c1-4(2)3;;;;;;;/h1-3H3;6*1H;/q+1;;;;;;;+5/p-6

> <INCHI_KEY>
YAHNDGAYGJSBJE-UHFFFAOYSA-H

> <FORMULA>
C3H9Cl6OSb

> <MOLECULAR_WEIGHT>
395.58

> <EXACT_MASS>
391.782274196

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
17.52067148771489

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexachlorostibanuide; trimethyloxidanium

> <ALOGPS_LOGP>
4.47

> <JCHEM_LOGP>
3.812599999999999

> <ALOGPS_LOGS>
-5.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
36.8178

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.51e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
hexachlorostibanuide; trimethyloxidanium

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1891

> <NAME>
Trimethyloxonium hexachlorantimonate

> <CAS>
54075-76-2

> <SYNONYMS>
Oxonium, trimethyl-, (OC-6-11)-hexachloroantimonate(1-); Trimethyloxonium hexachlorantimonic acid; Trimethyloxonium hexachloroantimonate; Trimethyloxonium hexachloroantimonate(1-)

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

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