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Compound 4
  CheckMol                        TMF02:r0:m0
MF=C11H12O2 MW=176.21
 13 14  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2980   -0.7502   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2861   -2.2506   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5960    0.0119   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5841   -3.0009   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8940   -0.7383   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8821   -2.2387   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5722   -4.5013   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1800   -2.9889   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8701   -5.2396   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4780   -2.2268   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1681   -4.4894   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7760   -2.9651   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5  1  0  1  0  0
  4  6  1  0  1  0  0
  5  7 02  0  2  0  0
  5  8 01  0  1  0  0
  7  9 01  0  1  0  0
  8 10 02  0  1  0  0
  9 11  1  0  0  0  0
  9 12 02  0  1  0  0
 11 13  1  0  0  0  0
  6  7  1  0  1  0  0
 10 12 01  0  1  0  0
M  END

5– METHOXY – 2 – TETRALONE

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Chemical Name - 5– METHOXY – 2 – TETRALONE
Mol Weight - 176.214
Smiles - COc1cccc(C2)c1CCC2=O

Property Name	Property Value
Mol Name	5– METHOXY – 2 – TETRALONE
Molweight	176.214
Monoisotopic Mass	176.08373
Clogp	2.038
Clogs	-2.378
H Acceptors	2
Total Surface Area	141.05
Relative Psa	0.16335
Polar Surface Area	26.3
Druglikeness	-1.815
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.61538
Molecular Flexibility	0.20715
Molecular Complexity	0.71389
Non H Atoms	13
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	5
Smiles	COc1cccc(C2)c1CCC2=O

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5– METHOXY – 2 – TETRALONE