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Compound 22
  CheckMol                        TMF02:r0:m0
MF=C8H8O2 MW=136.15
 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
   -0.0118   -1.4922   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3264   -2.2383   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2791   -2.2383   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5700   -1.4804   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8609   -2.2147   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5581    0.0355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1518   -1.4449   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8490    0.8053   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1399    0.0711   -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  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

Phenyl Acetic Acid

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Chemical Name - Phenyl Acetic Acid
Mol Weight - 136.15
Smiles - OC(Cc1ccccc1)=O

Property Name	Property Value
Mol Name	Phenyl Acetic Acid
Molweight	136.15
Monoisotopic Mass	136.05243
Clogp	1.1428
Clogs	-1.594
H Acceptors	2
H Donors	1
Total Surface Area	111.12
Relative Psa	0.23524
Polar Surface Area	37.3
Druglikeness	-1.7208
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Shape Index	0.7
Molecular Flexibility	0.55025
Molecular Complexity	0.52781
Fragments	1
Non H Atoms	10
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Symmetric Atoms	2
Acidic Oxygens	1
Smiles	OC(Cc1ccccc1)=O
InChIKey

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Phenyl Acetic Acid