Molecule FYI-1010494

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Molecule Summary:

ID: FYI-1010494
Names:
InChIKey: XQRUEDXXCQDNOT-UHFFFAOYSA-N
SMILES: Nc1ccc(N)c(O)c1

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

Molecule ID: FYI-1010494 Edit

Molecule Structure InChIKey: XQRUEDXXCQDNOT-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ccc(N)c(O)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1010494
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
    4.8497    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
  6  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010494-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
   -1.6432    1.8211   -0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5318   -0.8481   -0.0013 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9439    0.3815   -0.0014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1565   -0.5280    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5669    0.0766    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    0.8024    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6242    1.1047    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2139   -1.5562    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1478   -1.2539    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451    2.1438    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5268   -2.5973   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8727   -2.0640   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2477   -0.1458    0.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8075   -1.8221    0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6275   -0.3638    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2489    1.3457    0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5365    1.4733   -0.1430 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  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
$$$$

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2024-06-30, 126👍, 0💬