Compound 44
  CheckMol                        TMF02:r0:m0
MF=C12H24O2 MW=200.32
 14 13  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   -1.4972   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3309   -2.2459   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2833   -2.2459   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5786   -1.4854   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8738   -2.2340   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1690   -1.4735   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4643   -2.2221   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7595   -1.4616   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0547   -2.2102   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3500   -1.4497   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6452   -2.1983   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9404   -1.4378   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2357   -2.1864   -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
M  END

2D Structure

Lauric Acid

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Chemical Name - Lauric Acid
Mol Weight - 200.321
Smiles - CCCCCCCCCCCC(O)=O

Property Name	Property Value
Mol Name	Lauric Acid
Molweight	200.321
Monoisotopic Mass	200.17763
Clogp	4.2449
Clogs	-3.159
H Acceptors	2
H Donors	1
Total Surface Area	187.46
Relative Psa	0.13944
Polar Surface Area	37.3
Druglikeness	-25.216
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Shape Index	0.92857
Molecular Flexibility	0.53878
Molecular Complexity	0.3662
Fragments	1
Non H Atoms	14
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	10
Sp3 Atoms	12
Acidic Oxygens	1
Smiles	CCCCCCCCCCCC(O)=O
InChIKey
InChI	C12H24O2

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1 — Lauric Acid | 2 — Lauric Acid