Compound 30
  CheckMol                        TMF02:r0:m0
MF=C19H38O2 MW=298.51
 21 20  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    1.5187   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3288    2.2780   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2814    2.2780   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    1.5305   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5746    1.5305   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8678    2.2899   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1611    1.5424   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4543    2.3017   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7476    1.5543   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0408    2.3136   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3340    1.5661   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6273    2.3255   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9205    1.5780   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2137    2.3373   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5070    1.5898   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8002    2.3492   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0934    1.6017   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3867    2.3610   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6799    1.6136   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9731    2.3729   -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
  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
 20 21  1  0  0  0  0
M  END

2D Structure

Methyl Stearate

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Chemical Name - Methyl Stearate
Mol Weight - 298.509
Smiles - CCCCCCCCCCCCCCCCCC(OC)=O

Property Name	Property Value
Mol Name	Methyl Stearate
Molweight	298.509
Monoisotopic Mass	298.28718
Clogp	7.3992
Clogs	-4.907
H Acceptors	2
Total Surface Area	285.93
Relative Psa	0.080579
Polar Surface Area	26.3
Druglikeness	-35.364
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.95238
Molecular Flexibility	0.51941
Molecular Complexity	0.39608
Fragments	1
Non H Atoms	21
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	17
Sp3 Atoms	19
Smiles	CCCCCCCCCCCCCCCCCC(OC)=O
InChIKey	InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3
InChI	HPEUJPJOZXNMSJ-UHFFFAOYSA-N

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1 — Methyl Stearate | 2 — Methyl Stearate