Mrv1572004161622042D          

 24 21  0  0  0  0            999 V2000
    0.0000    1.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    3.3147    1.4143    0.0000 C   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
    6.6293    1.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6293   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3438   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9148   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3438    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9148    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6293    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.7107    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.7696   -2.7107    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.7107    0.0000 Sb  0  2  0  0  0  0  0  0  0  0  0  0
  3  2  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
  7  1  2  0  0  0  0
  7  5  1  0  0  0  0
  7  6  1  0  0  0  0
 10  9  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
 14  8  2  0  0  0  0
 14 12  1  0  0  0  0
 14 13  1  0  0  0  0
 17 16  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
 21 15  2  0  0  0  0
 21 19  1  0  0  0  0
 21 20  1  0  0  0  0
M  CHG  3  22  -1  23  -1  24   2
M  RAD  3   5   2  12   2  19   2
M  END
> <DATABASE_ID>
CHEM001617

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/3C7H7.2ClH.Sb.3H/c3*1-7-5-3-2-4-6-7;;;;;;/h3*2-6H,1H2;2*1H;;;;/q;;;;;+2;;;/p-2

> <INCHI_KEY>
QGMOPTIOMGICIK-UHFFFAOYSA-L

> <FORMULA>
C21H24Cl2Sb

> <MOLECULAR_WEIGHT>
469.08

> <EXACT_MASS>
467.02932

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
10.469738458697858

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <ALOGPS_LOGP>
2.39

> <JCHEM_LOGP>
1.7337000000000002

> <ALOGPS_LOGS>
-1.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
32.9582

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.67e+00 g/l

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1869

> <NAME>
Dichlorotribenzylantimony

> <CAS>
19493-17-5

> <SYNONYMS>
Dichlorotribenzylantimony(V)

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

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