Molecule FYI-1006737

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A

Molecule Summary:

ID: FYI-1006737
Names:
InChIKey: NIVASJPUHRPIBF-UHFFFAOYSA-N
SMILES: Nc2cccc(NC(=O)c1ccccc1O)c2

Received at FYIcenter.com on: 2024-01-12

Molecule ID: FYI-1006737 Edit

Molecule Structure InChIKey: NIVASJPUHRPIBF-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2cccc(NC(=O)c1ccccc1O)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006737
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17  6  2  0  0  0  0
 17  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006737-3D
FYIcenter.com

 29 30  0     0  0  0  0  0  0999 V2000
   -2.9742    2.0405   -0.6588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5871    1.7711    0.4507 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3734   -0.3151   -0.0294 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9623   -1.8157   -0.4515 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7621   -0.0375    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0258   -0.0247    0.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6960    0.5639    0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629   -1.0603   -0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1872    1.2507    0.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1207    0.7312   -0.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0301   -0.7863   -0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1971   -1.3629    0.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    1.5246    0.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4759    0.5062    0.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3866    0.1488   -0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4631   -1.9451    0.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5577   -1.1893   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1591   -1.2769   -0.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3138   -2.0672   -0.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392    2.0911    0.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3824   -1.9795    0.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9029    2.5306    0.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5387    0.7324    0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2486    0.7258   -0.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5987   -2.9845    0.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5437   -1.6422   -0.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9538   -1.6179   -0.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6400   -2.7534   -0.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8398    2.3982   -0.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 29  1  0  0  0  0
  2  7  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  0  0  0  0
  4 11  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  8 11  2  0  0  0  0
  8 19  1  0  0  0  0
  9 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 15  2  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  2  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
M  END
$$$$

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2024-01-24, 277👍, 0💬