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1-(4-Fluoro-benzyl)-1H-indazol-5-ylamine 3HCl salt
1-(4-Fluoro-benzyl)-1H-indazol-5-ylamine 3HCl salt ID: B203987
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1(ncc2c1ccc(c2)N)Cc1ccc(F)cc1	
FORMULA: C14H12FN3
MASS: 241.2636
EXACT MASS: 241.1015256
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    0.5300     0.0000 
   C   3    0.7668     0.7913     0.0000 
   C   4    0.4731     0.8159     0.4750     0.0000 
   C   5    0.7667     0.4659     0.4730     0.7667     0.0000 
   C   6    0.5166     0.9934     1.2233     0.8009     1.2833     0.0000 
   C   7    0.8627     1.2819     0.8176     0.4703     1.2109     0.9596 
   C   8    1.2109     1.2509     0.4703     0.8176     0.8627     1.6173 
   C   9    1.4107     1.5955     0.8167     0.9448     1.2751     1.7025 
   C  10    0.8635     1.2131     1.6218     1.2321     1.5940     0.4459 
   C  11    1.2751     1.6078     0.9448     0.8167     1.4106     1.4295 
   C  12    1.6662     1.8410     2.4296     2.0908     2.2910     1.3316 
   N  13    1.8840     2.0415     1.2511     1.4187     1.6815     2.1677 
   F  14    2.1186     2.2494     2.8770     2.5517     2.7089     1.7976 
   C  15    0.9275     1.0734     1.6765     1.3827     1.5201     0.7389 
   C  16    1.2791     1.6545     2.0172     1.5929     2.0270     0.7957 
   C  17    1.6268     1.9216     2.3872     1.9892     2.3362     1.1896 
   C  18    1.3708     1.4537     2.1101     1.8287     1.9152     1.1562 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.9417     0.0000 
   C   9    0.8177     0.4703     0.0000 
   C  10    1.4001     2.0409     2.1473     0.0000 
   C  11    0.4704     0.8176     0.4750     1.8704     0.0000 
   C  12    2.2884     2.8764     3.0237     0.8883     2.7588     0.0000 
   N  13    1.2493     0.8209     0.4739     2.6134     0.8197     3.4934 
   F  14    2.7541     3.3295     3.4875     1.3541     3.2245     0.4660 
   C  15    1.6650     2.1339     2.3275     0.4445     2.1257     0.7710 
   C  16    1.6654     2.4105     2.4596     0.4416     2.1255     0.7708 
   C  17    2.0983     2.8028     2.8819     0.7654     2.5620     0.4460 
   C  18    2.1018     2.5719     2.7734     0.7708     2.5659     0.4458 

              N  13      F  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   N  13    0.0000 
   F  14    3.9579     0.0000 
   C  15    2.8013     1.2026     0.0000 
   C  16    2.9112     1.1922     0.7689     0.0000 
   C  17    3.3391     0.7837     0.8875     0.4424     0.0000 
   C  18    3.2473     0.7969     0.4460     0.8904     0.7711     0.0000 




ATOMIC CHARGES
   N   1   -0.2463602864
   N   2   -0.1673925204
   C   3    0.0395180143
   C   4    0.0798396133
   C   5    0.1216281115
   C   6    0.1537790769
   C   7    0.0201768973
   C   8    0.0211486103
   C   9    0.0892388987
   C  10    0.0022472889
   C  11    0.0195887605
   C  12    0.1401254164
   N  13   -0.1280553620
   F  14   -0.2041720932
   C  15   -0.0000313205
   C  16   -0.0000313205
   C  17    0.0293761075
   C  18    0.0293761075


BOND ANGLES
   2    1    4  Nar  Nar  Car    108.729
   2    1    6  Nar  Nar   C3    143.307
   4    1    6  Car  Nar   C3    107.964
   1    2    5  Nar  Nar  Car    100.482
   4    3    8  Car  Car  Car    119.743
   4    3    5  Car  Car  Car    107.952
   5    3    8  Car  Car  Car    132.304
   1    4    3  Nar  Car  Car    107.964
   3    4    7  Car  Car  Car    119.754
   1    4    7  Nar  Car  Car    132.282
   2    5    3  Nar  Car  Car    114.873
   1    6   10  Nar   C3  Car    127.410
   4    7   11  Car  Car  Car    120.498
   3    8    9  Car  Car  Car    120.519
  11    9   13  Car  Car  Npl    119.491
   8    9   11  Car  Car  Car    119.737
   8    9   13  Car  Car  Npl    120.771
   6   10   15   C3  Car  Car    112.177
   6   10   16   C3  Car  Car    127.410
  15   10   16  Car  Car  Car    120.413
   7   11    9  Car  Car  Car    119.748
  14   12   18    F  Car  Car    121.852
  17   12   18  Car  Car  Car    119.686
  14   12   17    F  Car  Car    118.462
  10   15   18  Car  Car  Car    119.912
  10   16   17  Car  Car  Car    119.955
  12   17   16  Car  Car  Car    120.359
  12   18   15  Car  Car  Car    119.675


TORSION ANGLES
   5    2    1    4      0.026
   5    2    1    6    179.974
   8    3    4    1    179.974
   8    3    4    7      0.026
   5    3    4    1      0.026
   5    3    4    7    179.974
   3    4    1    2      0.026
   3    4    1    6    179.974
   7    4    1    2    179.974
   7    4    1    6      0.026
   3    5    2    1      0.026
  10    6    1    2      0.026
  10    6    1    4    179.974
  11    7    4    3      0.026
  11    7    4    1    179.974
   9    8    3    4      0.026
   9    8    3    5    179.974
  13    9   11    7    179.974
   8    9   11    7      0.026
  15   10    6    1      0.026
  16   10    6    1    179.974
   9   11    7    4      0.026
  14   12   18   15    179.974
  17   12   18   15      0.026
  18   15   10    6    179.974
  18   15   10   16      0.026
  17   16   10    6    179.974
  17   16   10   15      0.026
  12   17   16   10      0.026
  12   18   15   10      0.026
   4    3    5    2      0.026
   8    3    5    2    179.974
  18   12   17   16      0.026
  14   12   17   16    179.974
  11    9    8    3      0.026
  13    9    8    3    179.974