Compound 38
  CheckMol                        TMF02:r0:m0
MF=C16H32O2 MW=256.43
 18 17  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   -1.4975   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3311   -2.2462   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2836   -2.2462   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790   -1.4856   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8744   -2.2343   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1699   -1.4737   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4653   -2.2224   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7607   -1.4618   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0562   -2.2106   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3516   -1.4499   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6470   -2.1987   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9425   -1.4381   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2379   -2.1868   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5333   -1.4262   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8288   -2.1749   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1242   -1.4143   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4196   -2.1630   -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
M  END

2D Structure

Palmitic Acid

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Chemical Name - Palmitic Acid
Mol Weight - 256.428
Smiles - CCCCCCCCCCCCCCCC(O)=O

Property Name	Property Value
Mol Name	Palmitic Acid
Molweight	256.428
Monoisotopic Mass	256.24023
Clogp	6.0625
Clogs	-4.239
H Acceptors	2
H Donors	1
Total Surface Area	242.5
Relative Psa	0.10779
Polar Surface Area	37.3
Druglikeness	-25.216
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Shape Index	0.94444
Molecular Flexibility	0.52382
Molecular Complexity	0.35499
Fragments	1
Non H Atoms	18
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	14
Sp3 Atoms	16
Acidic Oxygens	1
Smiles	CCCCCCCCCCCCCCCC(O)=O
InChIKey
InChI	C16H32O2

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1 — Palmitic Acid | 2 — Palmitic Acid