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Compound 11
  CheckMol                        TMF02:r0:m0
MF=C18H36O2 MW=284.48
 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  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  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

Stearic Acid

₹ 0.00 0.00

Chemical Name - Stearic Acid
Mol Weight - 284.482
Smiles - CCCCCCCCCCCCCCCCCC(O)=O

Property Name	Property Value
Mol Name	Stearic Acid
Molweight	284.482
Monoisotopic Mass	284.27153
Clogp	6.9713
Clogs	-4.779
H Acceptors	2
H Donors	1
Total Surface Area	270.02
Relative Psa	0.096808
Polar Surface Area	37.3
Druglikeness	-25.216
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Shape Index	0.95
Molecular Flexibility	0.51952
Molecular Complexity	0.37701
Fragments	1
Non H Atoms	20
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	16
Sp3 Atoms	18
Acidic Oxygens	1
Smiles	CCCCCCCCCCCCCCCCCC(O)=O
InChIKey	InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
InChI	QIQXTHQIDYTFRH-UHFFFAOYSA-N

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Stearic Acid