Compound 14
  CheckMol                        TMF02:r0:m0
MF=C14H10O4 MW=242.23
 18 19  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5089   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3203    2.2634   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2732    2.2634   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6288    1.5325   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5581    1.5325   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2614    3.7723   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9373    2.2870   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8430    2.2870   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5463    4.5268   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2459    1.5561   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9491    3.7959   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8312    3.7959   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6642    4.5503   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2576    4.5503   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6760    6.0593   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2694    6.0593   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9845    6.8137   -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
  3  5  1  0  0  0  0
  4  6 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8  1  0  0  0  0
  6  9 01  0  1  0  0
  7 10 02  0  1  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13 02  0  1  0  0
 12 14 02  0  1  0  0
 12 15 01  0  1  0  0
 14 16 01  0  1  0  0
 15 17 02  0  1  0  0
 16 18 02  0  1  0  0
 10 13 01  0  1  0  0
 17 18 01  0  1  0  0
M  END

2D Structure

Benzoyl Peroxide

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Chemical Name - Benzoyl Peroxide
Mol Weight - 242.229
Smiles - O=C(c1ccccc1)OOC(c1ccccc1)=O

Property Name	Property Value
Mol Name	Benzoyl Peroxide
Molweight	242.229
Monoisotopic Mass	242.05791
Clogp	3.0506
Clogs	-3.41
H Acceptors	4
Total Surface Area	188.52
Relative Psa	0.24443
Polar Surface Area	52.6
Druglikeness	-2.9842
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Shape Index	0.66667
Molecular Flexibility	0.60849
Molecular Complexity	0.55886
Fragments	1
Non H Atoms	18
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	2
Symmetric Atoms	11
Smiles	O=C(c1ccccc1)OOC(c1ccccc1)=O
InChIKey
InChI	C14H10O4

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1 — Benzoyl Peroxide | 2 — Benzoyl Peroxide