-ISIS-  08091621332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -3.0750   -1.7042    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8917    1.7125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583   -1.0167    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8542    1.4083    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6917    2.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208   -2.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  8  2  0  0  0  0
 12 18  2  0  0  0  0
 13  5  1  0  0  0  0
 14  1  1  0  0  0  0
 15  2  1  0  0  0  0
 16  2  2  0  0  0  0
 17  1  2  0  0  0  0
 18  8  1  0  0  0  0
 19 13  2  0  0  0  0
  3  6  2  0  0  0  0
  4  5  2  0  0  0  0
  7 19  1  0  0  0  0
M  CHG  4   1   1   2   1  14  -1  15  -1
M  END
>  <ID> (BBL000686)
BBL000686

>  <Rotatable_Bonds> (BBL000686)
0

>  <logP> (BBL000686)
3.624

>  <PSA> (BBL000686)
91.64

>  <H_Donors> (BBL000686)
0

>  <H_Acceptors> (BBL000686)
4

>  <Number_of_rings> (BBL000686)
3

>  <NAME> (BBL000686)
2,7-dinitro-9H-fluorene

>  <Mol_Weight> (BBL000686)
256.22

>  <Mol_Formula> (BBL000686)
C13H8N2O4

>  <Smiles> (BBL000686)
[O-][N+](=O)c1ccc2c(c1)Cc1c2ccc(c1)[N+](=O)[O-]

>  <CAS_Number> (BBL000686)
5405-53-8

>  <Alternative_identifier> (BBL000686)
MFCD00001121

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