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Compound 13
  CheckMol                        TMF02:r0:m0
MF=C13H26O2 MW=214.35
 15 14  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    1.5172   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3276    2.2758   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2802    2.2758   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6433    1.5291   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5722    1.5291   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8642    2.2877   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1562    1.5409   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4482    2.2996   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7402    1.5528   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0323    2.3114   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3243    1.5646   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6163    2.3233   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9083    1.5765   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2003    2.3351   -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  1  0  0  0  0
 14 15  1  0  0  0  0
M  END

Methyl Laurate

₹ 0.00 0.00

Chemical Name - Methyl Laurate
Mol Weight - 214.347
Smiles - CCCCCCCCCCCC(OC)=O

Property Name	Property Value
Mol Name	Methyl Laurate
Molweight	214.347
Monoisotopic Mass	214.19328
Clogp	4.6728
Clogs	-3.287
H Acceptors	2
Total Surface Area	203.37
Relative Psa	0.11329
Polar Surface Area	26.3
Druglikeness	-35.364
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.93333
Molecular Flexibility	0.53738
Molecular Complexity	0.32894
Fragments	1
Non H Atoms	15
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	11
Sp3 Atoms	13
Smiles	CCCCCCCCCCCC(OC)=O
InChIKey	InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
InChI	UQDUPQYQJKYHQI-UHFFFAOYSA-N

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Methyl Laurate