Molecule FYI-1015695

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A

Molecule Summary:

ID: FYI-1015695
Names:
InChIKey: JAFVWKFAHYRENV-UHFFFAOYSA-N
SMILES: Clc3ccc(c2ccc1ncccc1c2)cc3

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

Molecule ID: FYI-1015695 Edit

Molecule Structure InChIKey: JAFVWKFAHYRENV-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc3ccc(c2ccc1ncccc1c2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015695
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    8.4870    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015695-3D
FYIcenter.com

 27 29  0     0  0  0  0  0  0999 V2000
    6.0349    0.4834   -0.0588 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9890   -0.9340    0.1325 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1338   -0.3265    0.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1180    0.5686   -0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5664   -0.1290    0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7256    0.7560   -0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6600   -0.7195    0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931   -1.5980    0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7774   -1.7841    0.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0061    1.6405   -0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4022   -1.1483   -0.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1124    1.0800    0.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3760    1.4227   -0.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7837   -0.9589   -0.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4941    1.2695    0.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8119    0.1276   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3297    0.2501   -0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3481    1.7602   -0.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2303   -2.4728    0.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1658   -2.7889    0.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6355    2.6518   -0.4025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0207   -2.0946   -0.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5044    1.8902    0.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0767    2.2399   -0.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4228   -1.7593   -0.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9067    2.2140    0.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8716   -0.1032    0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  7  1  0  0  0  0
  2 16  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  2  0  0  0  0
 10 21  1  0  0  0  0
 11 14  1  0  0  0  0
 11 22  1  0  0  0  0
 12 15  2  0  0  0  0
 12 23  1  0  0  0  0
 13 16  1  0  0  0  0
 13 24  1  0  0  0  0
 14 17  2  0  0  0  0
 14 25  1  0  0  0  0
 15 17  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
$$$$

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2025-10-24, 1171👍, 0💬