Compound 16
  CheckMol                        TMF02:r0:m0
MF=C14H12Cl2O MW=267.15
 17 18  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3045    0.7639   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6090    0.0353   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3163    2.2682   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9135    0.7992   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6208    3.0321   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9253    2.3035   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2298    3.0556   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9819    4.3601   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5343    2.3270   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.5011    4.3601   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8388    3.0909   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5460    0.8462   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1433    2.3622   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8505    0.1175   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1550    0.8814   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.4596    0.1528   -0.0000 Cl  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 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12 02  0  1  0  0
 10 13 01  0  1  0  0
 12 14 01  0  1  0  0
 13 15 02  0  1  0  0
 14 16 02  0  1  0  0
 16 17  1  0  0  0  0
  6  7 01  0  1  0  0
 15 16 01  0  1  0  0
M  END

2D Structure

DMC

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Chemical Name - DMC
Mol Weight - 267.154
Smiles - CC(c(cc1)ccc1Cl)(c(cc1)ccc1Cl)O

Property Name	Property Value
Mol Name	DMC
Molweight	267.154
Monoisotopic Mass	266.026519
Clogp	3.9133
Clogs	-4.332
H Acceptors	1
H Donors	1
Total Surface Area	192.88
Relative Psa	0.067918
Polar Surface Area	20.23
Druglikeness	0.35155
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Shape Index	0.64706
Molecular Flexibility	0.52627
Molecular Complexity	0.69203
Fragments	1
Non H Atoms	17
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	3
Symmetric Atoms	9
Smiles	CC(c(cc1)ccc1Cl)(c(cc1)ccc1Cl)O
InChIKey
InChI	C14H12OCl2

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1 — DMC | 2 — DMC