Compound 17
  CheckMol                        TMF02:r0:m0
MF=C14H28O2 MW=228.37
 16 15  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   -1.4974   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -2.2461   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2835   -2.2461   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5788   -1.4855   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8742   -2.2342   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1695   -1.4736   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4649   -2.2223   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7602   -1.4617   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0555   -2.2104   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3509   -1.4498   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6462   -2.1985   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9416   -1.4380   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2369   -2.1866   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5323   -1.4261   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8276   -2.1748   -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
M  END

2D Structure

Myristic Acid

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Chemical Name - Myristic Acid
Mol Weight - 228.374
Smiles - CCCCCCCCCCCCCC(O)=O

Property Name	Property Value
Mol Name	Myristic Acid
Molweight	228.374
Monoisotopic Mass	228.20893
Clogp	5.1537
Clogs	-3.699
H Acceptors	2
H Donors	1
Total Surface Area	214.98
Relative Psa	0.12159
Polar Surface Area	37.3
Druglikeness	-25.216
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.9375
Molecular Flexibility	0.52987
Molecular Complexity	0.32894
Fragments	1
Non H Atoms	16
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	12
Sp3 Atoms	14
Acidic Oxygens	1
Smiles	CCCCCCCCCCCCCC(O)=O
InChIKey	InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
InChI	TUNFSRHWOTWDNC-UHFFFAOYSA-N

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1 — Myristic Acid | 2 — Myristic Acid