Molecule FYI-1013942

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A

Molecule Summary:

ID: FYI-1013942
Names:
InChIKey: OKSSRKGEAHMMAK-UHFFFAOYSA-N
SMILES: Cc2cc(=O)c(O)c(Nc1ccccc1)c2=O

Received at FYIcenter.com on: 2025-02-13

Molecule ID: FYI-1013942 Edit

Molecule Structure InChIKey: OKSSRKGEAHMMAK-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(=O)c(O)c(Nc1ccccc1)c2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013942
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   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
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   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  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  1  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
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013942-3D
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.1122    0.0067    0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6038    0.1290   -0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2214    1.3080   -0.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6858    1.3949   -0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2626    2.4755   -0.2615 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4540    0.1404   -0.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8165    0.2736   -0.6125 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671   -1.0679   -0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5088   -2.3010   -0.4043 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1258   -2.7967   -1.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2472   -2.0597   -2.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9203   -2.5815   -3.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4949   -3.8450   -3.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4014   -4.5873   -2.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7265   -4.0643   -1.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4021   -1.1269    0.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8809   -2.1892    0.4004 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6228    0.9841   -0.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7938   -0.4424    0.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7428   -0.6115   -0.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6865    2.2496   -0.1905 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9922    1.2366   -0.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9888   -3.0435    0.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8220   -1.0667   -2.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9996   -1.9894   -4.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0252   -4.2452   -4.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8632   -5.5687   -2.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6863   -4.6531   -0.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
$$$$

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2025-02-16, 958👍, 0💬