Compound 8
  CheckMol                        TMF02:r0:m0
MF=C8Cl4N2 MW=265.91
 14 14  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3088   -0.7310   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6176    0.0354   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3206   -2.2167   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6294    1.5446   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9264   -0.6957   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0354   -2.9596   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6294   -2.9478   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2352    0.0707   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9382   -2.1813   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6412   -4.4334   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5440    0.8372   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2470   -2.9124   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6530   -5.9191   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5  1  0  0  0  0
  3  6 01  0  1  0  0
  4  7  1  0  0  0  0
  4  8 02  0  1  0  0
  6  9  1  0  0  0  0
  6 10 02  0  1  0  0
  8 11  1  0  0  0  0
  9 12  3  0  0  0  0
 10 13  1  0  0  0  0
 11 14  3  0  0  0  0
  8 10 01  0  1  0  0
M  END

2D Structure

Chlorothalonil

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Chemical Name - Chlorothalonil
Mol Weight - 265.914
Smiles - N#Cc(c(Cl)c(c(Cl)c1Cl)C#N)c1Cl

Property Name	Property Value
Mol Name	Chlorothalonil
Molweight	265.914
Monoisotopic Mass	263.881556
Clogp	3.7548
Clogs	-6.106
H Acceptors	2
Total Surface Area	178.36
Relative Psa	0.15205
Polar Surface Area	47.58
Druglikeness	-5.895
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.5
Molecular Complexity	0.71485
Fragments	1
Non H Atoms	14
Non Ch Atoms	6
Electronegative Atoms	6
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Symmetric Atoms	5
Smiles	N#Cc(c(Cl)c(c(Cl)c1Cl)C#N)c1Cl
InChIKey	InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14
InChI	CRQQGFGUEAVUIL-UHFFFAOYSA-N

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