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Compound 6
  CheckMol                        TMF02:r0:m0
MF=C12H22O4 MW=230.30
 16 15  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4864   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2741   -2.2178   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3212   -2.2178   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5599   -1.4628   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6307   -1.4628   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9401   -2.1942   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2496   -1.4392   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5590   -2.1706   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8684   -1.4156   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1779   -2.1470   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4873   -1.3920   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7968   -2.1234   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8086   -3.6098   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1062   -1.3684   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4157   -2.0998   -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  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END

Di Methyl Sebacate

₹ 0.00 0.00

Chemical Name - Di Methyl Sebacate
Mol Weight - 230.303
Smiles - COC(CCCCCCCCC(OC)=O)=O

Property Name	Property Value
Mol Name	Di Methyl Sebacate
Molweight	230.303
Monoisotopic Mass	230.15181
Clogp	2.9156
Clogs	-2.35
H Acceptors	4
Total Surface Area	203.6
Relative Psa	0.22633
Polar Surface Area	52.6
Druglikeness	-22.844
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.875
Molecular Flexibility	0.56997
Molecular Complexity	0.36642
Non H Atoms	16
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	11
Sp3 Atoms	12
Symmetric Atoms	8
Smiles	COC(CCCCCCCCC(OC)=O)=O

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Di Methyl Sebacate