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Compound 22
  CheckMol                        TMF02:r0:m0
MF=C18H34O3 MW=298.46
 21 20  0  0  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.5007   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3340   -2.2392   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2863   -2.2392   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5846   -1.4769   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8829   -2.2154   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1811   -1.4531   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4794   -2.1916   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7776   -1.4293   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0759   -2.1677   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3741   -1.4055   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6724   -2.1439   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6605   -3.6446   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9587   -4.3831   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2570   -3.6089   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9468   -5.8838   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2451   -6.6342   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2332   -8.1349   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5314   -8.8734   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5195  -10.3741   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8178  -11.1126   -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  6  0  0  0
 14 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

Ricinoleic Acid

₹ 0.00 0.00

Chemical Name - Ricinoleic Acid
Mol Weight - 298.465
Smiles - CCCCCC[C@H](C/C=CCCCCCCCC(O)=O)O

Property Name	Property Value
Mol Name	Ricinoleic Acid
Molweight	298.465
Monoisotopic Mass	298.250795
Clogp	5.6973
Clogs	-4.152
H Acceptors	3
H Donors	2
Total Surface Area	274.09
Relative Psa	0.14316
Polar Surface Area	57.53
Druglikeness	-26.31
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.90476
Molecular Flexibility	0.65991
Molecular Complexity	0.43493
Fragments	1
Non H Atoms	21
Non Ch Atoms	3
Electronegative Atoms	3
Stereo Centers	1
Rotatable Bonds	15
Sp3 Atoms	17
Acidic Oxygens	1
Smiles	CCCCCC[C@H](C/C=CCCCCCCCC(O)=O)O
InChIKey
InChI	C18H34O3

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Ricinoleic Acid