Chem Linoleic Acid Ethyl Ester

Compound 19
  CheckMol                        TMF02:r0:m0
MF=C20H36O2 MW=308.50
 22 21  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   -1.4925   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793   -2.2269   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3267   -2.2269   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5704   -1.4688   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6415   -1.4688   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8616   -2.2032   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563   -2.2032   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2712   -1.4451   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5860   -2.1795   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9008   -1.4214   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2157   -2.1559   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5305   -1.3978   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8453   -2.1322   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8572   -3.6247   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1720   -4.3709   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1839   -5.8634   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8927   -6.5979   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9046   -8.0904   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6134   -8.8248   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6253  -10.3173   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3341  -11.0517   -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
  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END

Linoleic Acid Ethyl Ester

₹ 0.00 0.00

Chemical Name - Linoleic Acid Ethyl Ester
Mol Weight - 308.504
Smiles - CCCCC/C=CC/C=CCCCCCCCC(OCC)=O

Property Name	Property Value
Mol Name	Linoleic Acid Ethyl Ester
Molweight	308.504
Monoisotopic Mass	308.27153
Clogp	7.3011
Clogs	-4.751
H Acceptors	2
Total Surface Area	297.65
Relative Psa	0.077406
Polar Surface Area	26.3
Druglikeness	-39.699
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.95455
Molecular Flexibility	0.65845
Molecular Complexity	0.41291
Fragments	1
Non H Atoms	22
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	16
Sp3 Atoms	16
Smiles	CCCCC/C=CC/C=CCCCCCCCC(OCC)=O
InChIKey
InChI	C20H36O2

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Linoleic Acid Ethyl Ester