Mrv1572004161622042D          

 21 18  0  0  0  0            999 V2000
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0291    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3147    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0291   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6002    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3147   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6002   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3438    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6293    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3438   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9148    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6293   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9148   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.4750    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.7696   -2.4750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.4750    0.0000 Sb  0  2  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  2  0  0  0  0
 12 10  2  0  0  0  0
 12 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18 16  2  0  0  0  0
 18 17  1  0  0  0  0
M  CHG  3  19  -1  20  -1  21   2
M  RAD  3   6   2  12   2  18   2
M  END
> <DATABASE_ID>
CHEM001613

> <DATABASE_NAME>
chemdb

> <SMILES>
[OH-].[Cl-].[SbH3++].[C]1=CC=CC=C1.[C]1=CC=CC=C1.[C]1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/3C6H5.ClH.H2O.Sb.3H/c3*1-2-4-6-5-3-1;;;;;;/h3*1-5H;1H;1H2;;;;/q;;;;;+2;;;/p-2

> <INCHI_KEY>
VPSJVNKUIRZAPD-UHFFFAOYSA-L

> <FORMULA>
C18H19ClOSb

> <MOLECULAR_WEIGHT>
408.56

> <EXACT_MASS>
407.01625

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
8.535208659171051

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <ALOGPS_LOGP>
2.03

> <JCHEM_LOGP>
1.7055

> <ALOGPS_LOGS>
-1.85

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
25.9213

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.11e+00 g/l

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1864

> <NAME>
Chlorohydroxytriphenylantimony

> <CAS>
36368-97-5

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

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