Mrv0541 02241205482D          

  8  7  0  0  0  0            999 V2000
    0.8250   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM003988

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC(Cl)(Cl)C(Cl)(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8

> <INCHI_KEY>
VHHHONWQHHHLTI-UHFFFAOYSA-N

> <FORMULA>
C2Cl6

> <MOLECULAR_WEIGHT>
236.739

> <EXACT_MASS>
233.813116242

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
16.23144502905838

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexachloroethane

> <ALOGPS_LOGP>
3.93

> <JCHEM_LOGP>
3.321836991333333

> <ALOGPS_LOGS>
-3.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
41.878

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.61e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
hexachloroethane

> <JCHEM_VEBER_RULE>
1

> <NAME>
Hexachloroethane

> <CAS>
67-72-1

> <SYNONYMS>
Ethane, hexachloro-; Hexachlorethan

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