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Compound 92
  CheckMol                        TMF02:r0:m0
MF=C21H42O5 MW=374.56
 26 24  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2825    0.7531   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5651    0.0118   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2708    2.2592   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0353    3.0122   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0471    4.5183   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3531    5.2714   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3649    6.7775   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6710    7.5423   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6828    9.0484   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9888    9.8015   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0006   11.3076   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7181   12.0724   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7298   13.5785   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4473   14.3434   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4590   15.8495   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1765   16.6025   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1883   18.1086   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0943   18.8617   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0825   20.3678   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0477    9.5073   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5416    9.5191   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7885   10.8252   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7885    8.2365   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5298   12.1313   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5180    6.9540   -0.0000 O   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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END

Glycerine Mono Oleate

₹ 0.00 0.00

Chemical Name - Glycerine Mono Oleate
Mol Weight - 282.466
Smiles - CCCCCCCC/C=CCCCCCCCC(O)=O.OCC(CO)O

Property Name	Property Value
Mol Name	Glycerine Mono Oleate
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	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Shape Index	0.95
Molecular Flexibility	0.62
Molecular Complexity	0.37701
Fragments	2
Non H Atoms	20
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	15
Sp3 Atoms	16
Acidic Oxygens	1
Smiles	CCCCCCCC/C=CCCCCCCCC(O)=O.OCC(CO)O
InChIKey	InChI=1S/C18H34O2.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4-1-3(6)2-5/h9-10H,2-8,11-17H2,1H3,(H,19,20);3-6H,1-2H2
InChI	FABAOYOFJNAVHB-UHFFFAOYSA-N

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Glycerine Mono Oleate