Mrv0541 02241205492D          

  4  3  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
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM016949

> <DATABASE_NAME>
chemdb

> <SMILES>
Cl\C=C/Cl

> <INCHI_IDENTIFIER>
InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-

> <INCHI_KEY>
KFUSEUYYWQURPO-UPHRSURJSA-N

> <FORMULA>
C2H2Cl2

> <MOLECULAR_WEIGHT>
96.943

> <EXACT_MASS>
95.953355478

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
7.494173504994505

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(Z)-1,2-dichloroethene

> <ALOGPS_LOGP>
1.85

> <JCHEM_LOGP>
1.7412039706666664

> <ALOGPS_LOGS>
-1.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
19.579

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.43e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cis-1,2-dichloroethene

> <JCHEM_VEBER_RULE>
1

> <NAME>
(Z)-1,2-Dichloroethylene

> <CAS>
156-59-2

> <SYNONYMS>
ethylendichloride

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