Compound 312
  CheckMol                        TMF02:r0:m0
MF=C13H10O MW=182.22
 14 15  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4931   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2798   -2.2278   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3272   -2.2278   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2680   -3.7210   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5715   -1.4694   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6426   -1.4576   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3391   -3.7210   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5596   -4.4675   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8632   -2.2160   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9580   -2.1923   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6544   -4.4557   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8513   -3.7091   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9698   -3.6854   -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 02  0  1  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  4  8 01  0  1  0  0
  5  9 01  0  1  0  0
  6 10 02  0  1  0  0
  7 11 01  0  1  0  0
  8 12 02  0  1  0  0
  9 13 02  0  1  0  0
 11 14 02  0  1  0  0
 10 13 01  0  1  0  0
 12 14 01  0  1  0  0
M  END

2D Structure

Benzophenone

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Chemical Name - Benzophenone
Mol Weight - 182.221
Smiles - O=C(c1ccccc1)c1ccccc1

Property Name	Property Value
Mol Name	Benzophenone
Molweight	182.221
Monoisotopic Mass	182.073165
Clogp	2.7896
Clogs	-3.716
H Acceptors	1
Total Surface Area	150.77
Relative Psa	0.086489
Polar Surface Area	17.07
Druglikeness	-1.1025
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.64286
Molecular Flexibility	0.48043
Molecular Complexity	0.44793
Fragments	1
Non H Atoms	14
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetric Atoms	8
Smiles	O=C(c1ccccc1)c1ccccc1
InChIKey	InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChI	RWCCWEUUXYIKHB-UHFFFAOYSA-N

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1 — Benzophenone | 2 — Benzophenone