Molecule FYI-1009038

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A

Molecule Summary:

ID: FYI-1009038
Names:
InChIKey: QMKZZQPPJRWDED-UHFFFAOYSA-N
SMILES: Nc1cc(C(=O)O)ccn1

Received at FYIcenter.com on: 2024-04-29

Molecule ID: FYI-1009038 Edit

Molecule Structure InChIKey: QMKZZQPPJRWDED-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1cc(C(=O)O)ccn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1009038
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   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
    3.6373    4.2000    0.0000 C   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
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   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
  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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  2  0  0  0  0
 10  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009038-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
   -2.8262    0.7545    0.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4199   -1.4819   -0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1066    0.7950   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7191   -1.5066    0.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5903    0.0596   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3995   -0.9170   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7211   -0.5007   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    1.7159   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9933   -0.3224   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1481   -1.9734   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9557    2.2121    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4481    2.7491    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5003   -2.4020    0.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6831   -1.1971    0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7698    0.4860    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 16  1  0  0  0  0
  2 10  2  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
$$$$

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2024-05-05, 2532👍, 0💬