Molecule FYI-1005588

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A

Molecule Summary:

ID: FYI-1005588
Names:
InChIKey: DUBVSOHHFGVRRO-UHFFFAOYSA-N
SMILES: Cc1cc(=O)oc2cc(N)c(Cl)cc12

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005588 Edit

Molecule Structure InChIKey: DUBVSOHHFGVRRO-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(=O)oc2cc(N)c(Cl)cc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1005588
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 Cl  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
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    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
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   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
    0.0000    0.0000    0.0000 O   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
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   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  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 13  4  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005588-3D
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.8959    0.1648   -0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3949    0.1151   -0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1347    1.2342   -0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6066    1.2353   -0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2311    2.2905   -0.0491 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2312    0.0025   -0.1081 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4863   -1.1923   -0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2226   -2.3799   -0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5646   -3.6046    0.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3116   -4.7946    0.0449 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1585   -3.6060    0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2784   -5.0949    0.1223 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4298   -2.4106   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0908   -1.1787   -0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5217    1.1941   -0.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4946   -0.3533    0.8286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4869   -0.3000   -0.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6838    2.2207   -0.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3071   -2.3375   -0.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2440   -4.7213    0.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7956   -5.5956    0.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3447   -2.4638   -0.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  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
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
$$$$

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2023-11-13, 963👍, 0💬