Compound 30
  CheckMol                        TMF02:r0:m0
MF=C18H34O2 MW=282.47
 20 19  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   -1.4976   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3312   -2.2463   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2836   -2.2463   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5791   -1.4857   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8746   -2.2344   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701   -1.4738   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4656   -2.2226   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7611   -1.4619   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0566   -2.2107   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3521   -1.4500   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6477   -2.1988   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9432   -1.4381   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2387   -2.1869   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5342   -1.4262   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8297   -2.1750   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1252   -1.4144   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4207   -2.1631   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7162   -1.4025   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0117   -2.1512   -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
  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  1  0  0  0  0
 11 12  2  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
 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
M  END

2D Structure

Elaidic Acid

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Chemical Name - Elaidic Acid
Mol Weight - 282.466
Smiles - CCCCCCCC/C=C/CCCCCCCC(O)=O

Property Name	Property Value
Mol Name	Elaidic Acid
Molweight	282.466
Monoisotopic Mass	282.25588
Clogp	6.7191
Clogs	-4.551
H Acceptors	2
H Donors	1
Total Surface Area	269
Relative Psa	0.097175
Polar Surface Area	37.3
Druglikeness	-28.971
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.95
Molecular Flexibility	0.57382
Molecular Complexity	0.37701
Fragments	1
Non H Atoms	20
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	15
Sp3 Atoms	16
Acidic Oxygens	1
Smiles	CCCCCCCC/C=C/CCCCCCCC(O)=O
InChIKey
InChI	C18H34O2

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1 — Elaidic Acid | 2 — Elaidic Acid