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Compound 9
  CheckMol                        TMF02:r0:m0
MF=C12H10O MW=170.21
 13 14  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4868   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3216   -2.2184   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2744   -2.2184   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6314   -1.4514   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3334   -3.7052   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9412   -2.1830   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6432   -4.4368   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9530   -3.6698   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2510   -1.4160   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2628   -4.4014   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5608   -2.1476   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5726   -3.6344   -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
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  7  9 01  0  2  0  0
  7 10 02  0  1  0  0
  9 11 02  0  1  0  0
 10 12 01  0  1  0  0
 11 13 01  0  1  0  0
  8  9 01  0  1  0  0
 12 13 02  0  1  0  0
M  END

2 Acetyl Naphthalene

₹ 0.00 0.00

Chemical Name - 2 Acetyl Naphthalene
Mol Weight - 170.21
Smiles - CC(c1cc2ccccc2cc1)=O

Property Name	Property Value
Mol Name	2 Acetyl Naphthalene
Molweight	170.21
Monoisotopic Mass	170.073165
Clogp	2.7252
Clogs	-3.906
H Acceptors	1
Total Surface Area	137.87
Relative Psa	0.094582
Polar Surface Area	17.07
Druglikeness	-1.9442
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.61538
Molecular Flexibility	0.24232
Molecular Complexity	0.60693
Fragments	1
Non H Atoms	13
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	1
Smiles	CC(c1cc2ccccc2cc1)=O

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2 Acetyl Naphthalene