Molecule FYI-1007241

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A

Molecule Summary:

ID: FYI-1007241
Names:
InChIKey: DMBHHRLKUKUOEG-UHFFFAOYSA-N
SMILES: c2ccc(Nc1ccccc1)cc2

Received at FYIcenter.com on: 2024-02-09

Molecule ID: FYI-1007241 Edit

Molecule Structure InChIKey: DMBHHRLKUKUOEG-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc(Nc1ccccc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007241
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    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
    0.0000    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
    2.4249    2.1000    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    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    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
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007241-3D
FYIcenter.com

 24 25  0     0  0  0  0  0  0999 V2000
    0.0001   -1.0403    0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2911   -0.4737   -0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2895   -0.4746    0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3640   -1.1518    0.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3638   -1.1518   -0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4951    0.7649   -0.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4958    0.7647    0.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6411   -0.5913    0.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6410   -0.5913   -0.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7720    1.3255   -0.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7728    1.3252    0.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8450    0.6473   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8453    0.6471    0.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0006   -2.0565   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2176   -2.1172    1.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2174   -2.1170   -1.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6827    1.3053   -1.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6839    1.3052    1.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4765   -1.1193    0.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4761   -1.1191   -0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9321    2.2876   -1.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9333    2.2872    1.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8395    1.0833   -0.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8398    1.0830    0.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  6 10  2  0  0  0  0
  6 17  1  0  0  0  0
  7 11  2  0  0  0  0
  7 18  1  0  0  0  0
  8 12  2  0  0  0  0
  8 19  1  0  0  0  0
  9 13  2  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
$$$$

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2024-02-18, 178👍, 0💬