Molecule FYI-1015700

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A

Molecule Summary:

ID: FYI-1015700
Names:
InChIKey: ZZZKYMXLEOJVHK-UHFFFAOYSA-N
SMILES: Clc3cc(c2ccc1ncccc1c2)ccn3

Received at FYIcenter.com on: 2025-09-29

Molecule ID: FYI-1015700 Edit

Molecule Structure InChIKey: ZZZKYMXLEOJVHK-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc3cc(c2ccc1ncccc1c2)ccn3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015700
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    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
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  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  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  5  1  0  0  0  0
 15  4  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015700-3D
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.0719   -2.5818   -1.2331 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -1.1310   -0.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2446    0.0245   -0.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7178    1.1976    0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4802    2.4690    0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3551    3.4017    1.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0682    4.6094    1.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9402    4.9346    0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6068    6.1019    0.0585 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4547    6.3785   -0.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6778    5.5334   -2.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9838    4.3302   -2.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0929    4.0098   -1.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3628    2.8021   -1.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4295    1.1104    0.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2513   -0.0999    0.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2454   -1.2264   -0.0075 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2383   -0.0030   -0.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7067    3.2063    1.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9418    5.3121    1.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9681    7.3328   -0.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3733    5.8040   -2.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1446    3.6466   -2.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4873    2.1240   -1.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0614    1.9728    1.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2471   -0.1899    0.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  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 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-24, 730👍, 0💬