Mrv0541 02241204072D          

 22 24  0  0  0  0            999 V2000
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   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
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  9 15  1  0  0  0  0
  8 16  1  0  0  0  0
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 19 20  1  0  0  0  0
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 21 22  2  0  0  0  0
 16 22  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1904

> <DATABASE_NAME>
t3db

> <SMILES>
CC1=CC=C(C=C1)[Sb](C1=CC=C(C)C=C1)C1=CC=C(C)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/3C7H7.Sb/c3*1-7-5-3-2-4-6-7;/h3*3-6H,1H3;

> <INCHI_KEY>
ABFAUGNOBBCFOA-UHFFFAOYSA-N

> <FORMULA>
C21H21Sb

> <MOLECULAR_WEIGHT>
395.15

> <EXACT_MASS>
394.068143716

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
36.31373830440775

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tris(4-methylphenyl)stibane

> <ALOGPS_LOGP>
6.22

> <JCHEM_LOGP>
6.213799999999999

> <ALOGPS_LOGS>
-5.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
91.54650000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.83e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
stibine, tris(4-methylphenyl)-

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1904

> <NAME>
Tris(p-tolyl)antimony

> <CAS>
5395-43-7

> <SYNONYMS>
Tri-p-tolylantimony; Tri-p-tolylstibine; Tris(4-methylphenyl)stibine; Tris(P-tolyl)antimony; Tris(p-tolyl)stibine

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

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