Mrv1572004191601162D          

  6  5  0  0  0  0            999 V2000
    0.8250   -0.8250    0.0000 C   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
    0.1105   -1.2375    0.0000 Cl  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
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004291

> <DATABASE_NAME>
chemdb

> <SMILES>
ClCC(Cl)(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2

> <INCHI_KEY>
QVLAWKAXOMEXPM-UHFFFAOYSA-N

> <FORMULA>
C2H2Cl4

> <MOLECULAR_WEIGHT>
167.84

> <EXACT_MASS>
165.8910609

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
12.351825693108077

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
2.73

> <JCHEM_LOGP>
2.411170811333333

> <ALOGPS_LOGS>
-2.38

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
31.2668

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.95e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrachloroethane

> <JCHEM_VEBER_RULE>
1

> <NAME>
Ethane, 1,1,1,2-tetrachloro-

> <CAS>
630-20-6

> <SYNONYMS>
1,1,1,2-Tetrachloroethane

$$$$