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Compound 9
  CheckMol                        TMF02:r0:m0
MF=C22H42O3 MW=354.57
 25 24  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   -1.4976   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3312   -2.2346   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2837   -2.2346   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6506   -1.4739   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -1.4739   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9699   -2.2108   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8748   -2.2108   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2892   -1.4501   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1704   -1.4501   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6086   -2.1870   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4659   -2.1870   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7615   -1.4263   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0571   -2.1632   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3526   -1.4025   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6482   -2.1395   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6363   -3.6371   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9319   -4.3740   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2274   -3.6133   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9200   -5.8716   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2156   -6.6086   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2037   -8.1062   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4992   -8.8431   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4873  -10.3407   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7829  -11.0896   -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
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 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  6  0  0  0
 18 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
 24 25  1  0  0  0  0
M  END

Butyl Ricinoleate

₹ 0.00 0.00

Chemical Name - Butyl Ricinoleate
Mol Weight - 354.572
Smiles - CCCCCC[C@H](C/C=CCCCCCCCC(OCCCC)=O)O

Property Name	Property Value
Mol Name	Butyl Ricinoleate
Molweight	354.572
Monoisotopic Mass	354.313395
Clogp	7.4403
Clogs	-5.12
H Acceptors	3
H Donors	1
Total Surface Area	331.28
Relative Psa	0.10909
Polar Surface Area	46.53
Druglikeness	-29.939
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.92
Molecular Flexibility	0.63972
Molecular Complexity	0.48104
Fragments	1
Non H Atoms	25
Non Ch Atoms	3
Electronegative Atoms	3
Stereo Centers	1
Rotatable Bonds	19
Sp3 Atoms	21
Smiles	CCCCCC[C@H](C/C=CCCCCCCCC(OCCCC)=O)O
InChIKey
InChI	C22H42O3

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Butyl Ricinoleate