Molecule FYI-1009308

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A

Molecule Summary:

ID: FYI-1009308
Names:
InChIKey: GFMBXAYZDQKHSJ-UHFFFAOYSA-N
SMILES: Oc2cc(Cl)c(CN1C=CC(O)C1)cc2O

Received at FYIcenter.com on: 2024-05-08

Molecule ID: FYI-1009308 Edit

Molecule Structure InChIKey: GFMBXAYZDQKHSJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc2cc(Cl)c(CN1C=CC(O)C1)cc2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1009308
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    7.7432    0.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4431    1.7823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    2.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2273    2.2535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0150    2.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8026    2.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5900    2.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776    2.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776    0.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5900    0.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8026    0.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0150    0.1534    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3736    0.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8306    1.9689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2677    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 13  1  2  0  0  0  0
  2  3  1  0  0  0  0
  8 14  1  0  0  0  0
  2 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009308-3D
FYIcenter.com

 28 29  0  0  1  0  0  0  0  0999 V2000
    1.0180    0.5912    0.7042 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3413    0.3591    0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2444    0.2015    1.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6063    0.0235    1.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6712   -0.1201    2.5735 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0756    0.0006   -0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5463   -0.0716   -0.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0391   -1.4315   -0.5245 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0484   -1.9727    0.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5427   -3.0841   -0.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8765   -3.3555   -1.6318 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8353   -3.1395   -2.6634 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7449   -2.2839   -1.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1373    0.1067   -1.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7858    0.3065   -0.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8870    0.4778   -1.8842 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8766    0.6420    1.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9064    0.2343    2.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1242    0.5138    0.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7244    0.4369   -1.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3671   -1.4937    1.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3462   -3.6823    0.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4810   -4.3712   -1.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -2.2529   -2.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7656   -2.7560   -1.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7589   -1.7207   -2.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4740    0.0529   -2.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3668    0.6492   -2.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  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  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  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 16  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
$$$$

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2024-05-15, 167👍, 0💬