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Compound 9
  CheckMol                        TMF02:r0:m0
MF=C16H32O2 MW=256.43
 18 17  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   -1.4854   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3204   -2.2281   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2732   -2.2281   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6290   -1.4619   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5582   -1.4619   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9376   -2.2046   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8433   -2.2046   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2462   -1.4383   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1283   -1.4383   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5548   -2.1810   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4133   -2.1810   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8634   -1.4147   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6983   -1.4147   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1720   -2.1574   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9833   -2.1574   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4806   -1.3911   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7892   -2.1338   -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
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END

Octyl Octanoate

₹ 0.00 0.00

Chemical Name - Octyl Octanoate
Mol Weight - 256.428
Smiles - CCCCCCCCOC(CCCCCCC)=O

Property Name	Property Value
Mol Name	Octyl Octanoate
Molweight	256.428
Monoisotopic Mass	256.24023
Clogp	5.9879
Clogs	-4.127
H Acceptors	2
Total Surface Area	244.65
Relative Psa	0.094175
Polar Surface Area	26.3
Druglikeness	-30.286
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.94444
Molecular Flexibility	0.57682
Molecular Complexity	0.40474
Non H Atoms	18
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	14
Sp3 Atoms	16
Smiles	CCCCCCCCOC(CCCCCCC)=O

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Octyl Octanoate