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1-(4-Methoxy-benzyl)-1H-indazol-5-ylamine 3HCl salt
1-(4-Methoxy-benzyl)-1H-indazol-5-ylamine 3HCl salt ID: B203985
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(ccc2c(c1)cnn2Cc1ccc(cc1)OC)N	
FORMULA: C15H15N3O
MASS: 253.2991
EXACT MASS: 253.1215121
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.4724     0.0000 
   C   3    0.8183     0.4725     0.0000 
   C   4    0.9449     0.8183     0.4724     0.0000 
   C   5    0.8183     0.9449     0.8182     0.4724     0.0000 
   C   6    0.4725     0.8184     0.9449     0.8183     0.4724     0.0000 
   N   7    0.4724     0.8183     1.2500     1.4173     1.2499     0.8183 
   N   8    1.4104     1.2760     0.8631     0.4724     0.7644     1.2113 
   N   9    1.5989     1.6111     1.2851     0.8174     0.7929     1.2541 
   C  10    1.2760     1.4104     1.2113     0.7644     0.4724     0.8631 
   C  11    1.7020     1.4307     0.9588     0.8012     1.2214     1.6185 
   C  12    2.0861     1.8131     1.3406     1.1715     1.5611     1.9817 
   C  13    2.4012     2.0690     1.6061     1.5375     1.9619     2.3558 
   C  14    2.8256     2.5079     2.0417     1.9344     2.3315     2.7491 
   C  15    2.9645     2.7027     2.2303     2.0316     2.3687     2.8180 
   C  16    2.7156     2.5122     2.0473     1.7707     2.0490     2.5135 
   C  17    2.2707     2.0742     1.6134     1.3258     1.6160     2.0762 
   O  18    3.4512     3.1963     2.7239     2.5135     2.8305     3.2877 
   C  19    4.3066     3.9588     3.5049     3.4312     3.8273     4.2468 

              N   7      N   8      N   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   N   8    1.8820     0.0000 
   N   9    2.0421     0.5308     0.0000 
   C  10    1.6791     0.7644     0.4669     0.0000 
   C  11    2.1666     0.5174     0.9940     1.2818     0.0000 
   C  12    2.5517     0.8073     1.1686     1.5409     0.3857     0.0000 
   C  13    2.8524     1.2299     1.6134     1.9787     0.7412     0.4448 
   C  14    3.2825     1.5745     1.8737     2.2849     1.1342     0.7705 
   C  15    3.4334     1.6075     1.7835     2.2325     1.2738     0.8897 
   C  16    3.1880     1.3126     1.3940     1.8555     1.1053     0.7705 
   C  17    2.7431     0.8699     1.0177     1.4622     0.6963     0.4448 
   O  18    3.9214     2.0768     2.1949     2.6561     1.7665     1.3833 
   C  19    4.7544     3.0665     3.3118     3.7491     2.6301     2.2676 

              C  13      C  14      C  15      C  16      C  17      O  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    0.4449     0.0000 
   C  15    0.7705     0.4448     0.0000 
   C  16    0.8897     0.7705     0.4449     0.0000 
   C  17    0.7704     0.8897     0.7705     0.4449     0.0000 
   O  18    1.2313     0.8254     0.4940     0.8010     1.2150     0.0000 
   C  19    1.9059     1.4979     1.5378     1.9684     2.2941     1.2500 

              C  19
              -----------
   C  19    0.0000 



ATOMIC CHARGES
   C   1    0.0892388987
   C   2    0.0195887605
   C   3    0.0201768973
   C   4    0.0798396133
   C   5    0.0395180143
   C   6    0.0211486103
   N   7   -0.1280553620
   N   8   -0.2463602832
   N   9   -0.1673925204
   C  10    0.1216281115
   C  11    0.1537798194
   C  12    0.0023036538
   C  13    0.0007764473
   C  14    0.0366390310
   C  15    0.1387154663
   C  16    0.0366390310
   C  17    0.0007764473
   O  18   -0.4714272056
   C  19    0.2524665693


BOND ANGLES
   6    1    7  Car  Car  Npl    119.984
   2    1    6  Car  Car  Car    120.005
   2    1    7  Car  Car  Npl    120.011
   1    2    3  Car  Car  Car    119.995
   2    3    4  Car  Car  Car    120.005
   3    4    8  Car  Car  Nar    131.998
   3    4    5  Car  Car  Car    120.001
   5    4    8  Car  Car  Nar    108.002
   6    5   10  Car  Car  Car    131.987
   4    5    6  Car  Car  Car    120.011
   4    5   10  Car  Car  Car    108.002
   1    6    5  Car  Car  Car    119.984
   4    8    9  Car  Nar  Nar    108.996
   4    8   11  Car  Nar   C3    108.002
   9    8   11  Nar  Nar   C3    143.003
   8    9   10  Nar  Nar  Car     99.834
   5   10    9  Car  Car  Nar    115.167
   8   11   12  Nar   C3  Car    126.109
  11   12   13   C3  Car  Car    126.238
  11   12   17   C3  Car  Car    113.758
  13   12   17  Car  Car  Car    120.004
  12   13   14  Car  Car  Car    120.001
  13   14   15  Car  Car  Car    119.994
  14   15   16  Car  Car  Car    120.004
  14   15   18  Car  Car   O3    122.996
  16   15   18  Car  Car   O3    117.000
  15   16   17  Car  Car  Car    119.990
  12   17   16  Car  Car  Car    120.005
  15   18   19  Car   O3   C3    116.871


TORSION ANGLES
  10    5    6    1    179.974
   4    5    6    1      0.026
   5    6    1    7    179.974
   5    6    1    2      0.026
   6    1    2    3      0.026
   7    1    2    3    179.974
   1    2    3    4      0.026
   2    3    4    8    179.974
   2    3    4    5      0.026
   3    4    8    9    179.974
   3    4    8   11      0.026
   5    4    8    9      0.026
   5    4    8   11    179.974
   4    8    9   10      0.026
  11    8    9   10    179.974
   8    9   10    5      0.026
   9   10    5    6    179.974
   9   10    5    4      0.026
   4    8   11   12    179.974
   9    8   11   12      0.026
   8   11   12   13    179.974
   8   11   12   17      0.026
  11   12   13   14    179.974
  17   12   13   14      0.026
  12   13   14   15      0.026
  13   14   15   16      0.026
  13   14   15   18    179.974
  14   15   16   17      0.026
  18   15   16   17    179.974
  15   16   17   12      0.026
  16   17   12   11    179.974
  16   17   12   13      0.026
  14   15   18   19      0.026
  16   15   18   19    179.974
   3    4    5    6      0.026
   3    4    5   10    179.974
   8    4    5    6    179.974
   8    4    5   10      0.026