Compound 272
  CheckMol                        TMF02:r0:m0
MF=C10H12O2 MW=164.20
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3064    0.7532   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2829    0.7532   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3182    2.2597   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6128    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0353    3.0130   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6246    3.0130   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9192    0.7768   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9310    2.2715   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2256    0.0471   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5321    0.8003   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8385    0.0706   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4 02  0  1  0  0
  2  5 01  0  1  0  0
  4  6  1  0  0  0  0
  4  7 01  0  1  0  0
  5  8 02  0  1  0  0
  7  9 02  0  1  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  8  9 01  0  1  0  0
M  END

2D Structure

Eugenol

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Chemical Name - Eugenol
Mol Weight - 164.203
Smiles - COc(cc(CC=C)cc1)c1O

Property Name	Property Value
Mol Name	Eugenol
Molweight	164.203
Monoisotopic Mass	164.08373
Clogp	2.2723
Clogs	-2.05
H Acceptors	2
H Donors	1
Total Surface Area	140.17
Relative Psa	0.1648
Polar Surface Area	29.46
Druglikeness	-4.6405
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Shape Index	0.66667
Molecular Flexibility	0.46529
Molecular Complexity	0.652
Fragments	1
Non H Atoms	12
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Smiles	COc(cc(CC=C)cc1)c1O
InChIKey	InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
InChI	RRAFCDWBNXTKKO-UHFFFAOYSA-N

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1 — Eugenol | 2 — Eugenol