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3-Amino-1-(4-fluoro-benzyl)-1,3-dihydro-indol-2-one 1HCl salt
3-Amino-1-(4-fluoro-benzyl)-1,3-dihydro-indol-2-one 1HCl salt ID: B204142
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:N1(C(=O)C(c2c1cccc2)N)Cc1ccc(F)cc1	
FORMULA: C15H13FN2O
MASS: 256.2749
EXACT MASS: 256.1011913
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.4417     0.0000 
   C   3    0.4427     0.7141     0.0000 
   C   4    0.7158     0.7141     0.4416     0.0000 
   C   5    0.7166     0.4417     0.7158     0.4427     0.0000 
   C   6    0.4993     0.8773     0.7942     1.1769     1.2139     0.0000 
   O   7    0.8956     0.5625     1.2611     1.2611     0.8956     1.1450 
   N   8    1.2180     0.8813     1.1807     0.7975     0.5034     1.7125 
   C   9    0.7234     0.9693     1.1066     1.4391     1.3772     0.3612 
   C  10    1.4531     1.4923     1.8855     2.1345     1.9328     1.2037 
   C  11    1.1372     1.1522     0.7690     0.4445     0.8089     1.5601 
   F  12    1.9766     1.9716     2.4130     2.6416     2.4046     1.7355 
   C  13    0.8085     1.1507     0.4425     0.7654     1.1343     0.9561 
   C  14    1.1353     1.3867     1.4874     1.8471     1.7988     0.6955 
   C  15    0.7452     0.7754     1.1870     1.4069     1.2169     0.6628 
   C  16    1.1582     1.1132     1.6009     1.7918     1.5467     1.0445 
   C  17    1.4412     1.6009     1.8353     2.1553     2.0370     1.0666 
   C  18    1.3212     1.4626     0.8848     0.7667     1.1954     1.6455 
   C  19    1.1954     1.4626     0.7667     0.8848     1.3212     1.3976 

              O   7      N   8      C   9      C  10      C  11      F  12
              ------------------------------------------------------------------
   O   7    0.0000 
   N   8    1.1481     0.0000 
   C   9    1.0449     1.8492     0.0000 
   C  10    1.2046     2.3103     0.8434     0.0000 
   C  11    1.6850     0.9561     1.8525     2.5745     0.0000 
   F  12    1.5951     2.7386     1.3744     0.5336     3.0848     0.0000 
   C  13    1.6840     1.5601     1.3142     2.1478     0.8875     2.6814 
   C  14    1.3875     2.2678     0.4216     0.7274     2.2483     1.1968 
   C  15    0.6594     1.6304     0.4218     0.7288     1.8484     1.2380 
   C  16    0.7832     1.8999     0.7273     0.4217     2.2361     0.8585 
   C  17    1.4512     2.4691     0.7287     0.4219     2.5769     0.7994 
   C  18    2.0204     1.3994     1.9809     2.7702     0.4445     3.2968 
   C  19    2.0204     1.6482     1.7543     2.5832     0.7689     3.1167 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.6249     0.0000 
   C  15    1.5056     0.7281     0.0000 
   C  16    1.9222     0.8380     0.4176     0.0000 
   C  17    2.0176     0.4176     0.8407     0.7281     0.0000 
   C  18    0.7654     2.3386     2.0656     2.4746     2.7071     0.0000 
   C  19    0.4424     2.0663     1.9226     2.3401     2.4600     0.4416 

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



ATOMIC CHARGES
   N   1   -0.2531556325
   C   2    0.2513258179
   C   3    0.0520154400
   C   4    0.0175222987
   C   5    0.1915143765
   C   6    0.1247606721
   O   7   -0.2726003846
   N   8   -0.1181848200
   C   9   -0.0018556320
   C  10    0.1401252363
   C  11   -0.0011642381
   F  12   -0.2041720939
   C  13    0.0146486224
   C  14   -0.0002970575
   C  15   -0.0002970575
   C  16    0.0293685330
   C  17    0.0293685330
   C  18   -0.0001831423
   C  19    0.0012605286


BOND ANGLES
   2    1    3   C2  Nam  Car    107.693
   2    1    6   C2  Nam   C3    137.507
   3    1    6  Car  Nam   C3    114.800
   1    2    5  Nam   C2   C3    108.424
   1    2    7  Nam   C2   O2    125.788
   5    2    7   C3   C2   O2    125.788
   1    3    4  Nam  Car  Car    108.095
   1    3   13  Nam  Car  Car    131.956
   4    3   13  Car  Car  Car    119.949
   3    4   11  Car  Car  Car    120.407
   3    4    5  Car  Car   C3    108.095
   5    4   11   C3  Car  Car    131.498
   2    5    8   C2   C3   N3    137.561
   2    5    4   C2   C3  Car    107.693
   4    5    8  Car   C3   N3    114.746
   1    6    9  Nam   C3  Car    113.455
   6    9   14   C3  Car  Car    125.180
   6    9   15   C3  Car  Car    115.445
  14    9   15  Car  Car  Car    119.375
  12   10   16    F  Car  Car    127.588
  16   10   17  Car  Car  Car    119.352
  12   10   17    F  Car  Car    113.060
   4   11   18  Car  Car  Car    119.180
   3   13   19  Car  Car  Car    120.096
   9   14   17  Car  Car  Car    120.526
   9   15   16  Car  Car  Car    120.098
  10   16   15  Car  Car  Car    120.539
  10   17   14  Car  Car  Car    120.109
  11   18   19  Car  Car  Car    120.413
  13   19   18  Car  Car  Car    119.955


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


CHIRAL ATOMS
  19   18   11    4      0.026