Compound 11
  CheckMol                        TMF02:r0:m0
MF=C22H42O2 MW=338.57
 24 23  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   -1.5013   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3345   -2.2401   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2868   -2.2401   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5856   -1.4775   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8844   -2.2162   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1831   -1.4537   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4819   -2.1924   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7806   -1.4298   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0794   -2.1686   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3782   -1.4060   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6769   -2.1447   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9757   -1.3822   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2745   -2.1209   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5732   -1.3583   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8720   -2.0971   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8601   -3.5984   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1588   -4.3371   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1469   -5.8385   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4457   -6.5772   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4337   -8.0785   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7325   -8.8173   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7206  -10.3186   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0194  -11.0693   -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  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
 15 16  2  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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END

2D Structure

Erucic Acid

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Chemical Name - Erucic Acid
Mol Weight - 338.573
Smiles - CCCCCCCC/C=CCCCCCCCCCCCC(O)=O

Property Name	Property Value
Mol Name	Erucic Acid
Molweight	338.573
Monoisotopic Mass	338.31848
Clogp	8.5367
Clogs	-5.631
H Acceptors	2
H Donors	1
Total Surface Area	324.04
Relative Psa	0.080669
Polar Surface Area	37.3
Druglikeness	-28.971
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.95833
Molecular Flexibility	0.58544
Molecular Complexity	0.41291
Fragments	1
Non H Atoms	24
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	19
Sp3 Atoms	20
Acidic Oxygens	1
Smiles	CCCCCCCC/C=CCCCCCCCCCCCC(O)=O
InChIKey
InChI	C22H42O2

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1 — Erucic Acid | 2 — Erucic Acid