Chem 27 Dibromo 9 Fluorenone Dsrpl

Compound 317
  CheckMol                        TMF02:r0:m0
MF=C13H6Br2O MW=338.00
 16 18  0  6  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4671    1.4245   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.9383    1.7515   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.5138    2.5455   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4053    3.1760   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.0467    3.9700   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7832    3.7948   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4245    4.2969   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0909    3.0592   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6431    5.2894   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.1835    5.6047   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.6472    6.4104   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.7398    7.0292   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.2035    7.8349   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7440    8.1502   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2077    8.9558   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7  1  0  1  0  0
  5  8 02  0  2  0  0
  7  9  2  0  0  0  0
  7 10  1  0  1  0  0
  8 11  1  0  1  0  0
 10 12 01  0  1  0  0
 11 13 01  0  1  0  0
 12 14 02  0  1  0  0
 13 15 02  0  1  0  0
 14 16  1  0  0  0  0
  6  8 01  0  1  0  0
 10 11 02  0  2  0  0
 14 15 01  0  1  0  0
M  END

2,7-Dibromo-9-fluorenone

₹ 0.00 0.00

Chemical Name - 2,7-Dibromo-9-fluorenone
Mol Weight - 337.998
Smiles - O=C1c(cc(cc2)Br)c2-c(cc2)c1cc2Br

Property Name	Property Value
Mol Name	2,7-Dibromo-9-fluorenone
Molweight	337.998
Monoisotopic Mass	335.878537
Clogp	4.6263
Clogs	-6.384
H Acceptors	1
Total Surface Area	174.53
Relative Psa	0.074715
Polar Surface Area	17.07
Druglikeness	-2.8925
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.5625
Molecular Complexity	0.84047
Fragments	1
Non H Atoms	16
Non Ch Atoms	3
Electronegative Atoms	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Symmetric Atoms	7
Smiles	O=C1c(cc(cc2)Br)c2-c(cc2)c1cc2Br
InChIKey	InChI=1S/C13H6Br2O/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6H
InChI	CWGRCRZFJOXQFV-UHFFFAOYSA-N

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2,7-Dibromo-9-fluorenone