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5-chloro-1H-indole-2-carbohydrazide
5-chloro-1H-indole-2-carbohydrazide
ID: BP-11990
Supplier:BroadPharm

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SMILES:c1([nH]c2c(c1)cc(cc2)Cl)C(=O)NN	
FORMULA: C9H8ClN3O
MASS: 209.6323
EXACT MASS: 209.0355896
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.6026     0.0000 
   C   3    0.5993     0.9709     0.0000 
   C   4    0.5958     1.0678     1.0659     0.0000 
   C   5    0.9724     0.9726     0.5995     1.5501     0.0000 
   C   6    0.9724     0.6008     0.9693     1.5501     0.6000     0.0000 
   C   7    1.5654     1.5409     1.0979     2.1280     0.6011     1.0399 
   O   8    1.0362     1.2504     1.6034     0.6010     1.9973     1.8341 
   N   9    1.0341     1.6034     1.2504     0.5975     1.8336     1.9956 
   C  10    1.5654     1.0975     1.5380     2.1280     1.0399     0.6011 
   C  11    1.9853     1.7907     1.6187     2.5758     1.0375     1.1985 
   N  12    1.5786     2.1013     1.8461     1.0341     2.4263     2.5509 
   C  13    1.9853     1.6192     1.7890     2.5758     1.1985     1.0375 
  Cl  14    2.5539     2.3890     2.1322     3.1363     1.5862     1.7976 

              C   7      O   8      N   9      C  10      C  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    2.5961     0.0000 
   N   9    2.3432     1.0375     0.0000 
   C  10    1.2000     2.3430     2.5943     0.0000 
   C  11    0.5974     2.9738     2.8665     1.0377     0.0000 
   N  12    2.9387     1.1964     0.5958     3.1426     3.4609     0.0000 
   C  13    1.0377     2.8668     2.9727     0.5974     0.6000     3.5493 
  Cl  14    1.0375     3.5589     3.3801     1.5832     0.5991     3.9758 

              C  13     Cl  14
              ----------------------
   C  13    0.0000 
  Cl  14    1.0363     0.0000 



ATOMIC CHARGES
   C   1    0.1375471963
   N   2   -0.2406707826
   C   3    0.0253464609
   C   4    0.2999179374
   C   5    0.0201369177
   C   6    0.0815233912
   C   7    0.0129406923
   O   8   -0.2652202085
   N   9   -0.0873503475
   C  10    0.0199646595
   C  11    0.0577690768
   N  12    0.0073997089
   C  13    0.0129384966
  Cl  14   -0.0822431988


BOND ANGLES
   2    1    3  Nar  Car  Car    107.768
   2    1    4  Nar  Car   C2    126.001
   3    1    4  Car  Car   C2    126.231
   1    2    6  Car  Nar  Car    107.816
   1    3    5  Car  Car  Car    108.419
   1    4    8  Car   C2   O2    119.944
   1    4    9  Car   C2  Nam    120.140
   8    4    9   O2   C2  Nam    119.917
   3    5    7  Car  Car  Car    132.249
   3    5    6  Car  Car  Car    107.812
   6    5    7  Car  Car  Car    119.939
   2    6   10  Nar  Car  Car    131.877
   2    6    5  Nar  Car  Car    108.185
   5    6   10  Car  Car  Car    119.939
   5    7   11  Car  Car  Car    119.917
   4    9   12   C2  Nam   N3    120.140
   6   10   13  Car  Car  Car    119.917
   7   11   14  Car  Car   Cl    120.256
   7   11   13  Car  Car  Car    120.145
  13   11   14  Car  Car   Cl    119.599
  10   13   11  Car  Car  Car    120.145


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