Mrv0541 02241204182D          

  6  5  0  0  0  0            999 V2000
    0.8250    1.4289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    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
    1.2375   -0.7145    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
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D0146

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H

> <INCHI_KEY>
QPFMBZIOSGYJDE-UHFFFAOYSA-N

> <FORMULA>
C2H2Cl4

> <MOLECULAR_WEIGHT>
167.849

> <EXACT_MASS>
165.891060892

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
12.432727311798638

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,1,2,2-tetrachloroethane

> <ALOGPS_LOGP>
2.57

> <JCHEM_LOGP>
2.837905157333333

> <ALOGPS_LOGS>
-2.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
30.7638

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.09e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,1,2,2-tetrachloroethane

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0146

> <NAME>
1,1,2,2-Tetrachloroethane

> <CAS>
79-34-5

> <SYNONYMS>
1,1,2,2-Tetrachloraethan; 1,1,2,2-Tetrachlorethane; 1,1-Dichloro-2, 2-dichloroethane; 1,1-Dichloro-2,2-dichloroethane; Acetylene tetrachloride; Bonoform; Cellon; Cellon, bonoform; Dichloro 2,2 dichloroethane; Ethane,1,1,2,2-Tetrachloro; S-tetrachloroethane; SYM-tetrachloroethane; Symmetrical tetrachloroethane; Tetrachlorethane; Tetrachloroethane; Westrol; Westron

> <TYPES>
Organic Compound; Industrial Precursor/Intermediate; Organochloride; Solvent; Pesticide; Refrigerant; Pollutant; Food Toxin; Industrial/Workplace Toxin; Synthetic Compound

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