Chem Cinnamic Acid Molychem

Compound 263
  CheckMol                        TMF02:r0:m0
MF=C9H8O2 MW=148.16
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4974   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -2.2461   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2835   -2.2461   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5788   -1.4855   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8742   -2.2342   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8623   -3.7315   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1695   -1.4736   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1576   -4.4802   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4648   -2.2223   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4530   -3.7197   -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
  2  4  1  0  0  0  0
  4  5  2  3  0  0  0
  5  6  1  0  0  0  0
  6  7 02  0  1  0  0
  6  8 01  0  1  0  0
  7  9 01  0  1  0  0
  8 10 02  0  1  0  0
  9 11 02  0  1  0  0
 10 11 01  0  1  0  0
M  END

Cinnamic Acid

₹ 0.00 0.00

Chemical Name - Cinnamic Acid
Mol Weight - 148.161
Smiles - OC(C=Cc1ccccc1)=O

Property Name	Property Value
Mol Name	Cinnamic Acid
Molweight	148.161
Monoisotopic Mass	148.05243
Clogp	1.4739
Clogs	-1.999
H Acceptors	2
H Donors	1
Total Surface Area	123.86
Relative Psa	0.21104
Polar Surface Area	37.3
Druglikeness	0.1675
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.72727
Molecular Flexibility	0.46452
Molecular Complexity	0.52781
Fragments	1
Non H Atoms	11
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Symmetric Atoms	2
Acidic Oxygens	1
Smiles	OC(C=Cc1ccccc1)=O
InChIKey	InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)
InChI	WBYWAXJHAXSJNI-UHFFFAOYSA-N

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Cinnamic Acid