Mrv1572004251605442D          

  7  6  0  0  0  0            999 V2000
    1.2375    0.7145    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
    0.0000    0.0000    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
    1.2375   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009114

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C3H2Cl4/c4-1-2(5)3(6)7/h1H2

> <INCHI_KEY>
UMGQVBVEWTXECF-UHFFFAOYSA-N

> <FORMULA>
C3H2Cl4

> <MOLECULAR_WEIGHT>
179.85

> <EXACT_MASS>
177.8910609

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
13.502654518983329

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,1,2,3-tetrachloroprop-1-ene

> <ALOGPS_LOGP>
3.22

> <JCHEM_LOGP>
2.558356096

> <ALOGPS_LOGS>
-2.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
45.5908

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.01e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,1,2,3-tetrachloropropene

> <JCHEM_VEBER_RULE>
1

> <NAME>
1-Propene, 1,1,2,3-tetrachloro-

> <CAS>
10436-39-2

> <SYNONYMS>
1,1,2,3-tetrachloroprop-1-ene

$$$$