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Compound 13
  CheckMol                        TMF02:r0:m0
MF=C17H34O2 MW=270.45
 19 18  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   -1.4940   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3280   -2.2410   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2806   -2.2410   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6442   -1.4822   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5730   -1.4822   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6560    0.0356   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9603   -2.2292   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8655   -2.2292   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1579   -1.4703   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4504   -2.2173   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7428   -1.4584   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0353   -2.2055   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3277   -1.4466   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6201   -2.1936   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9126   -1.4347   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2050   -2.1817   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4975   -1.4229   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7899   -2.1699   -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
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  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
M  END

ISO Propyl Myristate

₹ 0.00 0.00

Chemical Name - ISO Propyl Myristate
Mol Weight - 270.455
Smiles - CCCCCCCCCCCCCC(OC(C)C)=O

Property Name	Property Value
Mol Name	ISO Propyl Myristate
Molweight	270.455
Monoisotopic Mass	270.25588
Clogp	6.3472
Clogs	-4.505
H Acceptors	2
Total Surface Area	255.65
Relative Psa	0.090123
Polar Surface Area	26.3
Druglikeness	-29.041
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.89474
Molecular Flexibility	0.53247
Molecular Complexity	0.39608
Fragments	1
Non H Atoms	19
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	14
Sp3 Atoms	17
Symmetric Atoms	1
Smiles	CCCCCCCCCCCCCC(OC(C)C)=O
InChIKey
InChI	C17H34O2

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ISO Propyl Myristate