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Compound 139
  CheckMol                        TMF02:r0:m0
MF=C14H10O2 MW=210.23
 16 17  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    1.5098   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2739    2.2647   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3211    2.2647   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5596    1.5334   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2621    3.7745   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3329    3.7745   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6304    1.5334   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8453    2.3001   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5478    4.5412   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9397    2.3001   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6422    0.0472   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8335    3.8099   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2490    1.5688   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9515   -0.6841   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2608    0.0826   -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  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9 01  0  1  0  0
  6 10 02  0  1  0  0
  8 11 02  0  1  0  0
  8 12 01  0  1  0  0
  9 13 02  0  1  0  0
 11 14 01  0  1  0  0
 12 15 02  0  1  0  0
 14 16 02  0  1  0  0
 10 13 01  0  1  0  0
 15 16 01  0  1  0  0
M  END

Benzil

₹ 0.00 0.00

Chemical Name - Benzil
Mol Weight - 210.231
Smiles - O=C(C(c1ccccc1)=O)c1ccccc1

Property Name	Property Value
Mol Name	Benzil
Molweight	210.231
Monoisotopic Mass	210.06808
Clogp	2.0844
Clogs	-3.616
H Acceptors	2
Total Surface Area	168.52
Relative Psa	0.15476
Polar Surface Area	34.14
Druglikeness	-4.3408
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.625
Molecular Flexibility	0.51547
Molecular Complexity	0.57758
Fragments	1
Non H Atoms	16
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetric Atoms	10
Smiles	O=C(C(c1ccccc1)=O)c1ccccc1
InChIKey	InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H
InChI	WURBFLDFSFBTLW-UHFFFAOYSA-N

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Benzil