Compound 17
  CheckMol                        TMF02:r0:m0
MF=C10H18O MW=154.25
 11 10  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7650   -1.2829   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5179   -2.0243   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0714   -2.0243   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5183    0.0235   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8007   -1.2711   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3778   -1.2711   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6842   -2.0126   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9906   -1.2593   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0024    0.2472   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2970   -2.0008   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END

2D Structure

Linalool

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Chemical Name - Linalool
Mol Weight - 154.252
Smiles - CC(CCC=C(C)C)(C=C)O

Property Name	Property Value
Mol Name	Linalool
Molweight	154.252
Monoisotopic Mass	154.135765
Clogp	3.2311
Clogs	-2.149
H Acceptors	1
H Donors	1
Total Surface Area	143.81
Relative Psa	0.091092
Polar Surface Area	20.23
Druglikeness	-6.6846
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.72727
Molecular Flexibility	0.77933
Molecular Complexity	0.51299
Fragments	1
Non H Atoms	11
Non Ch Atoms	1
Electronegative Atoms	1
Stereo Centers	1
Rotatable Bonds	4
Sp3 Atoms	7
Symmetric Atoms	1
Smiles	CC(CCC=C(C)C)(C=C)O
InChIKey	InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
InChI	CDOSHBSSFJOMGT-UHFFFAOYSA-N

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