Mrv1652311211611132D          

 23 25  0  0  0  0            999 V2000
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   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -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
   -0.7145   -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
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -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
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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
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  6 22  1  0  0  0  0
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  2 23  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM047273

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC1=CC(=CC(Cl)=C1Cl)C1=CC=CC(=C1)C1=CC(Cl)=C(Cl)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H9Cl5/c19-14-5-4-12(7-15(14)20)10-2-1-3-11(6-10)13-8-16(21)18(23)17(22)9-13/h1-9H

> <INCHI_KEY>
ZXYJXLSUSLFCJC-UHFFFAOYSA-N

> <FORMULA>
C18H9Cl5

> <MOLECULAR_WEIGHT>
402.52

> <EXACT_MASS>
399.9146888

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
38.73228860456254

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,4,5-trichloro-3'-(3,4-dichlorophenyl)-1,1'-biphenyl

> <ALOGPS_LOGP>
8.30

> <JCHEM_LOGP>
8.287919921666667

> <ALOGPS_LOGS>
-8.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
100.35440000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.72e-07 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,4,5-trichloro-3'-(3,4-dichlorophenyl)-1,1'-biphenyl

> <JCHEM_VEBER_RULE>
1

> <NAME>
3,4,5-trichloro-3'-(3,4-dichlorophenyl)-1,1'-biphenyl

$$$$