Compound 236
  CheckMol                        TMF02:r0:m0
MF=C9H8O MW=132.16
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2964    0.7612   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5928    0.0119   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8892    0.7731   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1856    0.0238   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1737   -1.4748   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4819    0.7850   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4701   -2.2241   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7783    0.0357   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7664   -1.4629   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  3  0  0  0
  4  5  1  0  0  0  0
  5  6 02  0  1  0  0
  5  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10 02  0  1  0  0
  9 10 01  0  1  0  0
M  END

2D Structure

Cinnamaldehyde

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Chemical Name - Cinnamaldehyde
Mol Weight - 132.162
Smiles - O=CC=Cc1ccccc1

Property Name	Property Value
Mol Name	Cinnamaldehyde
Molweight	132.162
Monoisotopic Mass	132.057515
Clogp	1.6112
Clogs	-2.232
H Acceptors	1
Total Surface Area	119.3
Relative Psa	0.1093
Polar Surface Area	17.07
Druglikeness	-5.3892
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Shape Index	0.8
Molecular Flexibility	0.38051
Molecular Complexity	0.49698
Fragments	1
Non H Atoms	10
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Symmetric Atoms	2
Smiles	O=CC=Cc1ccccc1
InChIKey	InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H
InChI	KJPRLNWUNMBNBZ-UHFFFAOYSA-N

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1 — Cinnamaldehyde | 2 — Cinnamaldehyde