Mrv0541 09211104262D          

  6  5  0  0  0  0            999 V2000
    1.2376   -0.7146    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9521   -1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6666   -0.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9522   -1.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3811   -1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6666    0.1104    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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
> <DATABASE_NAME>
t3db

> <DATABASE_ID>
T3D0004

> <SMILES>
ClC=C

> <INCHI_IDENTIFIER>
InChI=1S/C2H3Cl/c1-2-3/h2H,1H2

> <INCHI_KEY>
InChIKey=BZHJMEDXRYGGRV-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
5.556427488615327

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
61.992327803

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C2H3Cl

> <JCHEM_IUPAC>
chloroethene

> <JCHEM_LOGP>
1.4240064436666666

> <JCHEM_MASS>
62.498

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
14.7774

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_TRADITIONAL_IUPAC>
vinyl chloride

$$$$