Mrv0541 09211104262D          

  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
    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 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
    1.2375   -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  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
> <DATABASE_NAME>
t3db

> <DATABASE_ID>
T3D0016

> <SMILES>
ClC=C(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C2HCl3/c3-1-2(4)5/h1H

> <INCHI_KEY>
InChIKey=XSTXAVWGXDQKEL-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
9.593053005993426

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
129.914383153

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C2HCl3

> <JCHEM_IUPAC>
1,1,2-trichloroethene

> <JCHEM_LOGP>
2.17833483

> <JCHEM_MASS>
131.388

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
35.177

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_TRADITIONAL_IUPAC>
trichloroethylene

$$$$