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Compound 341
  CheckMol                        TMF02:r0:m0
MF=C15H10O2 MW=222.24
 17 19  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3057    0.7528   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3175    2.2585   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6114    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6232    3.0114   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0353    3.0114   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9171    0.7881   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9289    2.2820   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6349    4.5170   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0471    4.5170   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2228    0.0588   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3528    5.2816   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5285    0.8234   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2346   -1.4233   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8342    0.0941   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5403   -2.1527   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8460   -1.3880   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3 01  0  1  0  0
  2  4 01  0  1  0  0
  3  5 02  0  2  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  5  8 01  0  1  0  0
  5  9 01  0  1  0  0
  6 10 02  0  1  0  0
  7 11  1  0  0  0  0
  9 12 02  0  1  0  0
 11 13 02  0  1  0  0
 11 14 01  0  1  0  0
 13 15 01  0  1  0  0
 14 16 02  0  1  0  0
 15 17 02  0  1  0  0
  7  8 01  0  1  0  0
 10 12 01  0  1  0  0
 16 17 01  0  1  0  0
M  END

Flavone

₹ 0.00 0.00

Chemical Name - Flavone
Mol Weight - 222.242
Smiles - O=C1c(cccc2)c2OC(c2ccccc2)=C1

Property Name	Property Value
Mol Name	Flavone
Molweight	222.242
Monoisotopic Mass	222.06808
Clogp	3.3728
Clogs	-3.744
H Acceptors	2
Total Surface Area	171.98
Relative Psa	0.13397
Polar Surface Area	26.3
Druglikeness	0.24192
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58824
Molecular Flexibility	0.29997
Molecular Complexity	0.75255
Fragments	1
Non H Atoms	17
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	1
Symmetric Atoms	2
Smiles	O=C1c(cccc2)c2OC(c2ccccc2)=C1
InChIKey	InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
InChI	VHBFFQKBGNRLFZ-UHFFFAOYSA-N

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Flavone