Molecule FYI-1008678

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A

Molecule Summary:

ID: FYI-1008678
Names:
InChIKey: CNJVJYWASCGFFI-UHFFFAOYSA-N
SMILES: Nc1ccccc1n2nccn2

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008678 Edit

Molecule Structure InChIKey: CNJVJYWASCGFFI-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ccccc1n2nccn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008678
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.6406    0.2835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    0.0000 N   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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008678-3D
FYIcenter.com

 20 21  0     0  0  0  0  0  0999 V2000
    1.0759    0.1699    0.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7839    1.3108    0.0008 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7406   -0.9969   -0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4183   -2.2475    0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3094    0.1958    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0528   -0.9844    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9599    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4467   -0.9307   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3537    1.4834   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0971    0.3032   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0319    0.8342   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0057   -0.5675   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4244    2.3755   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0388   -1.8424   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8609    2.4439   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1824    0.3451   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9900   -3.0829    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5837   -2.3512    0.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.5142   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8181   -1.2786   -0.0024 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  5  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
$$$$

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2024-04-29, 140👍, 0💬