Chem Elaidic Acid Methyl Ester

Compound 25
  CheckMol                        TMF02:r0:m0
MF=C19H36O2 MW=296.49
 21 20  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   -1.4840   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2720   -2.2143   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3191   -2.2143   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5558   -1.4605   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6265   -1.4605   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9339   -2.1907   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2412   -1.4369   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5486   -2.1672   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8560   -1.4134   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1633   -2.1436   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4707   -1.3898   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7781   -2.1201   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0854   -1.3663   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3928   -2.0965   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7002   -1.3427   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0075   -2.0729   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3149   -1.3191   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.6222   -2.0494   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.9296   -1.2956   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.2370   -2.0258   -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  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  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
M  END

Elaidic Acid Methyl Ester

₹ 0.00 0.00

Chemical Name - Elaidic Acid Methyl Ester
Mol Weight - 296.493
Smiles - CCCCCCCC/C=C/CCCCCCCC(OC)=O

Property Name	Property Value
Mol Name	Elaidic Acid Methyl Ester
Molweight	296.493
Monoisotopic Mass	296.27153
Clogp	7.147
Clogs	-4.679
H Acceptors	2
Total Surface Area	284.91
Relative Psa	0.080868
Polar Surface Area	26.3
Druglikeness	-39.138
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.95238
Molecular Flexibility	0.5693
Molecular Complexity	0.39608
Fragments	1
Non H Atoms	21
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	16
Sp3 Atoms	17
Smiles	CCCCCCCC/C=C/CCCCCCCC(OC)=O
InChIKey
InChI	C19H36O2

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Elaidic Acid Methyl Ester