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Compound 3
  CheckMol                        TMF02:r0:m0
MF=C8H14O4 MW=174.20
 12 11  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   -1.4858   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2736   -2.2287   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207   -2.2287   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5589   -1.4740   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6297   -1.4740   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9386   -2.2169   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2476   -1.4622   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5565   -2.2052   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5683   -3.6910   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8655   -1.4505   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1744   -2.1934   -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  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END

Di Methyl Adipate

₹ 0.00 0.00

Chemical Name - Di Methyl Adipate
Mol Weight - 174.195
Smiles - COC(CCCCC(OC)=O)=O

Property Name	Property Value
Mol Name	Di Methyl Adipate
Molweight	174.195
Monoisotopic Mass	174.08921
Clogp	1.098
Clogs	-1.27
H Acceptors	4
Total Surface Area	148.56
Relative Psa	0.31018
Polar Surface Area	52.6
Druglikeness	-22.844
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.83333
Molecular Flexibility	0.6279
Molecular Complexity	0.47958
Non H Atoms	12
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	7
Sp3 Atoms	8
Symmetric Atoms	6
Smiles	COC(CCCCC(OC)=O)=O

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Di Methyl Adipate