Mrv1652311211611322D          

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M  END
> <DATABASE_ID>
CHEM047451

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC1=CC=CC(Cl)=C1C1=CC=CC(=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H8Cl6/c19-12-5-2-6-13(20)15(12)11-4-1-3-9(16(11)22)10-7-8-14(21)18(24)17(10)23/h1-8H

> <INCHI_KEY>
LGSPTOOCNAKYAE-UHFFFAOYSA-N

> <FORMULA>
C18H8Cl6

> <MOLECULAR_WEIGHT>
436.96

> <EXACT_MASS>
433.8757165

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
39.43696638919335

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,2',6'-trichloro-3-(2,3,4-trichlorophenyl)-1,1'-biphenyl

> <ALOGPS_LOGP>
8.59

> <JCHEM_LOGP>
8.891964598

> <ALOGPS_LOGS>
-9.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
105.15920000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.02e-07 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,2',6'-trichloro-3-(2,3,4-trichlorophenyl)-1,1'-biphenyl

> <JCHEM_VEBER_RULE>
1

> <NAME>
2,2',6'-trichloro-3-(2,3,4-trichlorophenyl)-1,1'-biphenyl

$$$$