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1-Cyclopentyl-3-Amino-5-nitro-1,3-dihydro-indol-2-one 1HCl salt
1-Cyclopentyl-3-Amino-5-nitro-1,3-dihydro-indol-2-one 1HCl salt ID: B204166
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(ccc2c(c1)C(C(=O)N2C1CCCC1)N)[N+](=O)[O-]	
FORMULA: C13H15N3O3
MASS: 261.2765
EXACT MASS: 261.1113414
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.4429     0.0000 
   C   3    0.7671     0.4428     0.0000 
   C   4    0.8857     0.7670     0.4428     0.0000 
   C   5    0.7670     0.8857     0.7671     0.4429     0.0000 
   C   6    0.4428     0.7671     0.8857     0.7671     0.4428     0.0000 
   N   7    1.3221     1.1960     0.8091     0.4429     0.7166     1.1355 
   C   8    1.4653     1.4653     1.1534     0.7166     0.7166     1.1534 
   C   9    1.1960     1.3221     1.1355     0.7166     0.4429     0.8091 
   N  10    1.4179     1.6539     1.5510     1.1623     0.7911     0.9776 
   C  11    1.6605     1.4377     0.9999     0.7891     1.1459     1.5429 
   C  12    1.7556     1.4394     1.0057     0.9802     1.4040     1.7412 
   C  13    2.1768     1.8564     1.4259     1.3826     1.7898     2.1487 
   C  14    2.3319     2.0715     1.6288     1.4701     1.8187     2.2239 
   C  15    2.0836     1.8886     1.4541     1.1986     1.4870     1.9140 
   O  16    2.0228     2.0228     1.6863     1.2632     1.2632     1.6863 
   N  17    0.5861     0.8578     1.2815     1.4685     1.3283     0.9262 
   O  18    1.0162     1.3926     1.7792     1.8668     1.6057     1.1629 
   O  19    1.0170     1.0528     1.4874     1.8006     1.7799     1.4367 

              N   7      C   8      C   9      N  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    0.4429     0.0000 
   C   9    0.7165     0.4428     0.0000 
   N  10    1.1809     0.8345     0.4706     0.0000 
   C  11    0.4429     0.7892     1.1459     1.5985     0.0000 
   C  12    0.7864     1.1904     1.5010     1.9672     0.4214     0.0000 
   C  13    1.1177     1.4601     1.8274     2.2793     0.6818     0.4213 
   C  14    1.1032     1.3341     1.7526     2.1680     0.6818     0.6818 
   C  15    0.7794     0.9325     1.3640     1.7614     0.4571     0.7156 
   O  16    0.8971     0.5621     0.8970     1.0932     1.0381     1.4547 
   N  17    1.9073     2.0398     1.7330     1.8669     2.2321     2.2872 
   O  18    2.2789     2.3115     1.9305     1.9210     2.6551     2.7717 
   O  19    2.2398     2.4575     2.2129     2.4085     2.4872     2.4441 

              C  13      C  14      C  15      O  16      N  17      O  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    0.4214     0.0000 
   C  15    0.7013     0.4198     0.0000 
   O  16    1.5875     1.3161     0.9064     0.0000 
   N  17    2.7071     2.8941     2.6634     2.5914     0.0000 
   O  18    3.1928     3.3337     3.0567     2.8264     0.5864     0.0000 
   O  19    2.8459     3.1025     2.9402     3.0194     0.5875     1.0152 

              O  19
              -----------
   O  19    0.0000 



ATOMIC CHARGES
   C   1    0.2898812719
   C   2    0.0765272054
   C   3    0.0209420334
   C   4    0.0520128195
   C   5    0.0236120783
   C   6    0.0741100997
   N   7   -0.2590867222
   C   8    0.2510104620
   C   9    0.1917027337
   N  10   -0.1181821611
   C  11    0.0798095160
   C  12    0.0201792625
   C  13    0.0017668993
   C  14    0.0017668993
   C  15    0.0201792625
   O  16   -0.2726101431
   N  17    0.0809049928
   O  18   -0.5760074400
   O  19    0.0414809301


BOND ANGLES
   2    1   17  Car  Car  Ntr    112.194
   2    1    6  Car  Car  Car    119.998
   6    1   17  Car  Car  Ntr    127.808
   1    2    3  Car  Car  Car    119.998
   2    3    4  Car  Car  Car    120.003
   3    4    7  Car  Car  Nam    132.008
   5    4    7  Car  Car  Nam    107.993
   3    4    5  Car  Car  Car    119.998
   4    5    9  Car  Car   C3    107.993
   6    5    9  Car  Car   C3    132.008
   4    5    6  Car  Car  Car    119.998
   1    6    5  Car  Car  Car    120.003
   4    7    8  Car  Nam   C2    108.005
   4    7   11  Car  Nam   C3    125.986
   8    7   11   C2  Nam   C3    126.009
   7    8    9  Nam   C2   C3    107.997
   7    8   16  Nam   C2   O2    125.998
   9    8   16   C3   C2   O2    126.005
   5    9    8  Car   C3   C2    108.012
   8    9   10   C2   C3   N3    131.999
   5    9   10  Car   C3   N3    119.988
   7   11   12  Nam   C3   C3    130.980
   7   11   15  Nam   C3   C3    119.989
  12   11   15   C3   C3   C3    109.031
  11   12   13   C3   C3   C3    107.996
  12   13   14   C3   C3   C3    108.014
  13   14   15   C3   C3   C3    112.963
  11   15   14   C3   C3   C3    101.996
   1   17   18  Car  Ntr   O-    120.163
   1   17   19  Car  Ntr   O2    120.115
  18   17   19   O-  Ntr   O2    119.721


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


CHIRAL ATOMS
   5    6    1   17    179.974