Mrv1652311211610412D          

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   -1.4289   -2.4750    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
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -8.6625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1434   -2.8875    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
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 17  2  0  0  0  0
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  6 19  1  0  0  0  0
  5 20  1  0  0  0  0
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  2 21  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM046687

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC1=CC=C(C=C1)C1=C(Cl)C(=CC=C1)C1=CC=CC(Cl)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H11Cl3/c19-14-9-7-12(8-10-14)16-5-2-6-17(18(16)21)13-3-1-4-15(20)11-13/h1-11H

> <INCHI_KEY>
ZJIKCEZYFNEDEG-UHFFFAOYSA-N

> <FORMULA>
C18H11Cl3

> <MOLECULAR_WEIGHT>
333.64

> <EXACT_MASS>
331.9926335

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
33.77458791020074

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,3'-dichloro-3-(4-chlorophenyl)-1,1'-biphenyl

> <ALOGPS_LOGP>
7.24

> <JCHEM_LOGP>
7.079830568999999

> <ALOGPS_LOGS>
-7.98

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
90.74480000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.50e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,3'-dichloro-3-(4-chlorophenyl)-1,1'-biphenyl

> <JCHEM_VEBER_RULE>
1

> <NAME>
2,3'-dichloro-3-(4-chlorophenyl)-1,1'-biphenyl

$$$$