Mrv1572004161622042D          

 31 33  0  0  0  0            999 V2000
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   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039   -3.3000    0.0000 Sb  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
  9  7  1  0  0  0  0
 10  6  2  0  0  0  0
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 14 13  1  0  0  0  0
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M  RAD  3   8   2  18   2  28   2
M  END
> <DATABASE_ID>
CHEM001645

> <DATABASE_NAME>
chemdb

> <SMILES>
[SbH3].[C]1=CC=CC2=CC=CC=C12.[C]1=CC=CC2=CC=CC=C12.[C]1=CC=CC2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/3C10H7.Sb.3H/c3*1-2-6-10-8-4-3-7-9(10)5-1;;;;/h3*1-7H;;;;

> <INCHI_KEY>
NWIMDQSMQDHNEH-UHFFFAOYSA-N

> <FORMULA>
C30H24Sb

> <MOLECULAR_WEIGHT>
506.282

> <EXACT_MASS>
505.09161

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
14.247573394330908

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <ALOGPS_LOGP>
3.33

> <JCHEM_LOGP>
2.7077

> <ALOGPS_LOGS>
-3.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
42.371500000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.61e-02 g/l

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1898

> <NAME>
Tris(1-naphthyl)antimony

> <CAS>
27309-70-2

> <SYNONYMS>
Antimony tri-alpha-naphthyl

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

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