Mrv1572004221606512D          

 14 14  0  0  0  0            999 V2000
    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    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
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  3  0  0  0  0
  4  2  3  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  8  7  2  0  0  0  0
  9  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14 10  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM020578

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC1=C(Cl)C(=O)C(C#C)=C(C#C)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H2Cl2O2/c1-3-5-6(4-2)10(14)8(12)7(11)9(5)13/h1-2H

> <INCHI_KEY>
WFTZPGGPRHBTDC-UHFFFAOYSA-N

> <FORMULA>
C10H2Cl2O2

> <MOLECULAR_WEIGHT>
225.02

> <EXACT_MASS>
223.9431847

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
19.51780899580836

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,3-dichloro-5,6-diethynylcyclohexa-2,5-diene-1,4-dione

> <ALOGPS_LOGP>
1.84

> <JCHEM_LOGP>
1.867947226

> <ALOGPS_LOGS>
-4.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
55.45080000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.36e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,3-dichloro-5,6-diethynylcyclohexa-2,5-diene-1,4-dione

> <JCHEM_VEBER_RULE>
1

> <NAME>
2,3-Dichloro-5,6-dicyano-p-benzoquinone

> <CAS>
84-58-2

> <SYNONYMS>
2,3-dichloro-5,6-diethynylcyclohexa-2,5-diene-1,4-dione

$$$$