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Compound 70
  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
   -0.0119   -1.4969   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3306   -2.2454   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2831   -2.2454   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5781   -1.4851   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8730   -2.2335   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1680   -1.4732   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4630   -2.2217   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7580   -1.4613   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0530   -2.2098   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3479   -1.4494   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0411   -3.7067   -0.0000 O   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
  4  5  1  0  0  0  0
  5  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  2  0  0  0  0
 10 12  1  0  0  0  0
M  END

Suberic Acid

₹ 0.00 0.00

Chemical Name - Suberic Acid
Mol Weight - 174.195
Smiles -

Property Name	Property Value
Mol Name	Suberic Acid
Molweight	174.195
Monoisotopic Mass	174.08921
Clogp	1.151
Clogs	-1.554
H Acceptors	4
H Donors	2
Total Surface Area	144.26
Relative Psa	0.3624
Polar Surface Area	74.6
Druglikeness	-12.715
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.83333
Molecular Flexibility	0.61271
Molecular Complexity	0.43944
Non H Atoms	12
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	7
Sp3 Atoms	8
Symmetric Atoms	6
Acidic Oxygens	2
Smiles

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Suberic Acid