Mrv1572004201614322D          

  4  3  0  0  0  0            999 V2000
    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
    1.6500   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM015988

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC#CCl

> <INCHI_IDENTIFIER>
InChI=1S/C2Cl2/c3-1-2-4

> <INCHI_KEY>
ZMJOVJSTYLQINE-UHFFFAOYSA-N

> <FORMULA>
C2Cl2

> <MOLECULAR_WEIGHT>
94.92

> <EXACT_MASS>
93.9377054

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
6.984690379732791

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dichloroethyne

> <ALOGPS_LOGP>
1.55

> <JCHEM_LOGP>
1.2689999999999997

> <ALOGPS_LOGS>
-1.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
17.672600000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.64e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dichloroacetylene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Dichloro Acetylene

> <CAS>
7572-29-4

> <SYNONYMS>
Dichloroacetylene

$$$$