Molecule FYI-1010496

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Molecule Summary:

ID: FYI-1010496
Names:
InChIKey: PCAXITAPTVOLGL-UHFFFAOYSA-N
SMILES: Nc1cccc(O)c1N

Received at FYIcenter.com on: 2024-06-10

Molecule ID: FYI-1010496 Edit

Molecule Structure InChIKey: PCAXITAPTVOLGL-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1cccc(O)c1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1010496
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   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
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010496-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
    2.3876   -0.7926   -0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0344   -2.1926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4553   -0.7145   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.7781    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2054   -0.0551    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101   -0.1062    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759    1.3395   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2394    1.2884    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0465    2.0113   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0979    1.9154   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1843    1.8252   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0694    3.0971   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9043   -2.7040    0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8406   -2.7008    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3071   -0.1684   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5155   -1.7219   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1253   -0.1588   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
$$$$

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