Molecule FYI-1004915

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A

Molecule Summary:

ID: FYI-1004915
Names:
InChIKey: NZJKEQFPRPAEPO-UHFFFAOYSA-N
SMILES: Nc1cccc2[nH]cnc12

Received at FYIcenter.com on: 2023-09-29

Molecule ID: FYI-1004915 Edit

Molecule Structure InChIKey: NZJKEQFPRPAEPO-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1cccc2[nH]cnc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1004915
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    2.1337    4.1693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1721    3.0367    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
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004915-3D
FYIcenter.com

 17 18  0     0  0  0  0  0  0999 V2000
    1.9801    0.8623   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3948   -1.2818    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4969   -2.2037   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6087    0.8573   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2678   -0.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0895   -0.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3339    1.8860   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0533    0.1601    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6801    1.5062    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4024   -0.4379    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0418    2.9299   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5731    1.6816   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1116   -0.0922    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4498    2.2740    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4508   -0.6998    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0009   -2.4806    0.8378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0008   -2.4805   -0.8383 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  2  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
$$$$

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2023-10-11, 843👍, 0💬