Compound 25
  CheckMol                        TMF02:r0:m0
MF=C6Cl4O2 MW=245.88
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4939   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2805   -2.2409   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3279   -2.2290   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5728   -1.4821   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2686   -3.7348   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6440   -1.4583   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3398   -3.7229   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5610   -4.4817   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4699   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6558   -4.4580   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0593   -5.9638   -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  1  0  0
  2  4  1  0  1  0  0
  3  5  1  0  0  0  0
  3  6  1  0  1  0  0
  4  7  2  0  0  0  0
  4  8  1  0  1  0  0
  6  9  2  0  0  0  0
  6 10  1  0  1  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
  8 10  2  0  1  0  0
M  END

2D Structure

Chloranil

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Chemical Name - Chloranil
Mol Weight - 245.876
Smiles - O=C(C(Cl)=C(C1=O)Cl)C(Cl)=C1Cl

Property Name	Property Value
Mol Name	Chloranil
Molweight	245.876
Monoisotopic Mass	243.865238
Clogp	1.7616
Clogs	-3.762
H Acceptors	2
Total Surface Area	143.02
Relative Psa	0.18235
Polar Surface Area	34.14
Druglikeness	-1.5979
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	1
Shape Index	0.5
Molecular Flexibility	0.013035
Molecular Complexity	0.74811
Fragments	1
Non H Atoms	12
Non Ch Atoms	6
Electronegative Atoms	6
Rings Closures	1
Small Rings	1
Symmetric Atoms	8
Smiles	O=C(C(Cl)=C(C1=O)Cl)C(Cl)=C1Cl
InChIKey	InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
InChI	UGNWTBMOAKPKBL-UHFFFAOYSA-N

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1 — Chloranil | 2 — Chloranil