Molecule FYI-1006777

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A

Molecule Summary:

ID: FYI-1006777
Names:
InChIKey: ZYIFLKPDFLWFAE-UHFFFAOYSA-N
SMILES: Cc1ccccc1.Nc1ccccc1

Received at FYIcenter.com on: 2024-01-15

Molecule ID: FYI-1006777 Edit

Molecule Structure InChIKey: ZYIFLKPDFLWFAE-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccccc1.Nc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006777
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.8000    4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0200    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4200    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1200    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4200    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0200    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200    2.4248    0.0000 C   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
  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
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006777-3D
FYIcenter.com

 29 29  0  0  0  0  0  0  0  0999 V2000
    3.4976    0.0398    0.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    0.1173    1.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4239    1.3537    1.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0753    1.4109    1.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6480    0.2346    1.9558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0222   -1.0003    1.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3266   -1.0595    1.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0247    0.0096   -2.1895 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3124    0.0423   -1.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9808    1.2601   -1.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3226    1.2983   -1.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0189    0.1114   -1.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3812   -1.1110   -1.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0389   -1.1431   -1.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9317    1.0362    0.6966 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -0.4876   -0.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0824   -0.4894    1.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9681    2.2811    1.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4209    2.3723    1.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7071    0.2802    2.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5941   -1.9158    1.9211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7971   -2.0302    1.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5355    0.8306   -1.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4934   -0.8392   -1.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4540    2.1941   -1.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8187    2.2549   -1.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0572    0.1378   -0.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9236   -2.0400   -1.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5577   -2.1014   -1.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END
$$$$

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2024-01-24, 986👍, 0💬