Mrv1652310281621032D          

  7  6  0  0  0  0            999 V2000
    1.2375    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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.4289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -0.3020    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -1.1270    0.0000 Cl  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
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM046176

> <DATABASE_NAME>
chemdb

> <SMILES>
Cl\C=C\C(Cl)(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C3H2Cl4/c4-2-1-3(5,6)7/h1-2H/b2-1+

> <INCHI_KEY>
GVVUPGXFVJLPDE-OWOJBTEDSA-N

> <FORMULA>
C3H2Cl4

> <MOLECULAR_WEIGHT>
179.85

> <EXACT_MASS>
177.8910609

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
13.697280851894243

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1E)-1,3,3,3-tetrachloroprop-1-ene

> <ALOGPS_LOGP>
3.25

> <JCHEM_LOGP>
2.7951283176666664

> <ALOGPS_LOGS>
-3.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
35.8878

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.50e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1E)-1,3,3,3-tetrachloroprop-1-ene

> <JCHEM_VEBER_RULE>
1

> <NAME>
(1E)-1,3,3,3-tetrachloroprop-1-ene

$$$$