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2-(5-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)benzenamine
2-(5-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)benzenamine
ID: BP-11882
Supplier:BroadPharm

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SMILES:c1([nH]c2c(c1)nc(cc2)Cl)c1c(N)cccc1	
FORMULA: C13H10ClN3
MASS: 243.6916
EXACT MASS: 243.0563250
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.5970     0.0000 
   C   3    0.5991     0.9670     0.0000 
   C   4    0.9706     0.9681     0.6007     0.0000 
   N   5    1.5634     1.5375     1.0977     0.6011     0.0000 
   C   6    0.6010     1.0683     1.0690     1.5533     2.1307     0.0000 
   C   7    0.9717     0.6018     0.9701     0.5974     1.0375     1.5548 
   C   8    1.9860     1.7913     1.6217     1.0399     0.6000     2.5817 
   C   9    1.0375     1.6017     1.2510     1.8350     2.3435     0.5975 
   C  10    1.5634     1.0987     1.5382     1.0377     1.1985     2.1313 
   C  11    1.9855     1.6208     1.7919     1.2000     1.0399     2.5812 
   N  12    1.1985     1.7932     1.1000     1.6918     2.0885     1.0378 
  Cl  13    2.5493     2.3854     2.1288     1.5832     1.0342     3.1365 
   C  14    1.0398     1.2535     1.6055     1.9994     2.5981     0.6000 
   C  15    1.5869     2.1050     1.8519     2.4328     2.9442     1.0375 
   C  16    1.5863     1.8508     2.1059     2.5568     3.1483     1.0378 
   C  17    1.7995     2.2048     2.2055     2.7393     3.2982     1.1985 

              C   7      C   8      C   9      C  10      C  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.1985     0.0000 
   C   9    1.9980     2.8700     0.0000 
   C  10    0.6000     1.0375     2.5955     0.0000 
   C  11    1.0377     0.6011     2.9761     0.5974     0.0000 
   N  12    2.0265     2.6659     0.6000     2.6176     2.8900     0.0000 
  Cl  13    1.7938     0.5953     3.3772     1.5820     1.0375     3.1074 
   C  14    1.8392     2.9791     1.0378     2.3468     2.8719     1.5865 
   C  15    2.5585     3.4696     0.6010     3.1489     3.5579     1.0398 
   C  16    2.4335     3.5577     1.2000     2.9440     3.4680     1.8000 
   C  17    2.7406     3.7747     1.0398     3.2986     3.7741     1.5878 

             Cl  13      C  14      C  15      C  16      C  17
              -------------------------------------------------------
  Cl  13    0.0000 
   C  14    3.5592     0.0000 
   C  15    3.9781     1.1985     0.0000 
   C  16    4.1310     0.5975     1.0398     0.0000 
   C  17    4.3192     1.0375     0.6000     0.6010     0.0000 



ATOMIC CHARGES
   C   1    0.0841564059
   N   2   -0.2437420776
   C   3    0.0397896766
   C   4    0.1013086830
   N   5   -0.2323857153
   C   6    0.0344414092
   C   7    0.0989853794
   C   8    0.1384033591
   C   9    0.0905014566
   C  10    0.0230696713
   C  11    0.0323480390
   N  12   -0.1280077743
  Cl  13   -0.0613359925
   C  14    0.0028434644
   C  15    0.0181047692
   C  16    0.0001344971
   C  17    0.0013847489


BOND ANGLES
   2    1    3  Nar  Car  Car    107.893
   2    1    6  Nar  Car  Car    126.175
   3    1    6  Car  Car  Car    125.932
   1    2    7  Car  Nar  Car    108.303
   1    3    4  Car  Car  Car    108.000
   3    4    5  Car  Car  Nar    131.950
   3    4    7  Car  Car  Car    108.133
   5    4    7  Nar  Car  Car    119.917
   4    5    8  Car  Nar  Car    119.939
   1    6    9  Car  Car  Car    119.917
   1    6   14  Car  Car  Car    119.944
   9    6   14  Car  Car  Car    120.140
   2    7   10  Nar  Car  Car    132.185
   2    7    4  Nar  Car  Car    107.671
   4    7   10  Car  Car  Car    120.145
   5    8   13  Nar  Car   Cl    119.803
   5    8   11  Nar  Car  Car    119.939
  11    8   13  Car  Car   Cl    120.258
   6    9   12  Car  Car  Npl    120.140
   6    9   15  Car  Car  Car    119.917
  12    9   15  Npl  Car  Car    119.944
   7   10   11  Car  Car  Car    120.145
   8   11   10  Car  Car  Car    119.917
   6   14   16  Car  Car  Car    120.140
   9   15   17  Car  Car  Car    119.944
  14   16   17  Car  Car  Car    119.917
  15   17   16  Car  Car  Car    119.944


TORSION ANGLES
   7    2    1    3      0.026
   7    2    1    6    179.974
   4    3    1    2      0.026
   4    3    1    6    179.974
   5    4    3    1    179.974
   7    4    3    1      0.026
   8    5    4    3    179.974
   8    5    4    7      0.026
   9    6    1    2    179.974
   9    6    1    3      0.026
  14    6    1    2      0.026
  14    6    1    3    179.974
  10    7    2    1    179.974
   4    7    2    1      0.026
  13    8    5    4    179.974
  11    8    5    4      0.026
  12    9    6    1      0.026
  12    9    6   14    179.974
  15    9    6    1    179.974
  15    9    6   14      0.026
  11   10    7    2    179.974
  11   10    7    4      0.026
   8   11   10    7      0.026
  16   14    6    1    179.974
  16   14    6    9      0.026
  17   15    9    6      0.026
  17   15    9   12    179.974
  17   16   14    6      0.026
  16   17   15    9      0.026
   3    4    7    2      0.026
   3    4    7   10    179.974
   5    4    7    2    179.974
   5    4    7   10      0.026
   5    8   11   10      0.026
  13    8   11   10    179.974
  14   16   17   15      0.026