Mrv1652311211610502D          

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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
   -0.7145   -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
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2868   -6.6000    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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  7 20  1  0  0  0  0
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  6 22  2  0  0  0  0
  2 22  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM046867

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C18H10Cl4/c19-12-5-3-4-11(10-12)17-16(21)9-8-14(18(17)22)13-6-1-2-7-15(13)20/h1-10H

> <INCHI_KEY>
PXAJBXPCVBHZHZ-UHFFFAOYSA-N

> <FORMULA>
C18H10Cl4

> <MOLECULAR_WEIGHT>
368.08

> <EXACT_MASS>
365.9536611

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
35.44998983288309

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
7.92

> <JCHEM_LOGP>
7.683875245333333

> <ALOGPS_LOGS>
-8.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
95.54960000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.56e-07 g/l

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

> <JCHEM_VEBER_RULE>
1

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

$$$$