Mrv0541 09211104272D          

  6  5  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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 H   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  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
> <DATABASE_NAME>
t3db

> <DATABASE_ID>
T3D0079

> <SMILES>
ClC(Cl)=C

> <INCHI_IDENTIFIER>
InChI=1S/C2H2Cl2/c1-2(3)4/h1H2

> <INCHI_KEY>
InChIKey=LGXVIGDEPROXKC-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
7.551360942091483

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
95.953355478

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C2H2Cl2

> <JCHEM_IUPAC>
1,1-dichloroethene

> <JCHEM_LOGP>
1.8611373029999998

> <JCHEM_MASS>
96.943

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
30.375400000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_TRADITIONAL_IUPAC>
vinylidene chloride

$$$$