Molecule FYI-1016247

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Molecule Summary:

ID: FYI-1016247
Names:
InChIKey: INLMBOQJKGJBJB-UHFFFAOYSA-N
SMILES: O=C(NCc1ccccc1)Nc2c(Cl)cccc2Cl

Received at FYIcenter.com on: 2025-12-01

Molecule ID: FYI-1016247 Edit

Molecule Structure InChIKey: INLMBOQJKGJBJB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NCc1ccccc1)Nc2c(Cl)cccc2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1016247
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 O   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
    2.4249    2.8000    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
    1.2124    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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016247-3D
FYIcenter.com

 31 32  0     0  0  0  0  0  0999 V2000
    3.3175    2.5642   -0.0172 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3163   -2.4650   -0.7438 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0630    0.6955    1.3560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9569    1.3826   -0.6021 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1816    0.5469   -0.7025 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2040    1.7927   -0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1997    0.6833    0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4348   -0.0027   -0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0786    0.4858   -1.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2524   -0.1564    1.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1077    0.8527    0.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4835    0.8436   -0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.3813   -0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0101   -0.5515   -0.9751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1838   -1.1936    1.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0627   -1.3911    0.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7187    0.3009    0.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8333   -1.9239    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8937   -1.0828    0.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5889    2.6296   -0.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161    2.1852    0.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8579    1.4529   -1.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0467    1.1318   -1.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5771   -0.0130    1.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2004    1.0846   -1.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6941   -0.7057   -1.8044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2254   -1.8469    2.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7879   -2.1987    0.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5554    0.9421    0.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9867   -3.0000    0.0409 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8554   -1.5053    0.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 11  2  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 22  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 23  1  0  0  0  0
 10 15  2  0  0  0  0
 10 24  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
$$$$

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2025-12-09, 810👍, 0💬