Molecule FYI-1009307

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A

Molecule Summary:

ID: FYI-1009307
Names:
InChIKey: NRMHFLKXUGGYAA-UHFFFAOYSA-N
SMILES: O=C2C=CN(Cc1cc(O)ccc1Cl)C2

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

Molecule ID: FYI-1009307 Edit

Molecule Structure InChIKey: NRMHFLKXUGGYAA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2C=CN(Cc1cc(O)ccc1Cl)C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009307
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    7.7434    0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4433    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5064    2.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2275    2.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0151    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8027    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5901    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5901    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8027    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0151    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3738    0.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7006    2.2437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3495    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
  2 14  2  0  0  0  0
  8 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009307-3D
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
    0.9828   -1.8062    0.5512 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1628   -1.0127    0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0401   -0.6804   -1.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9521    0.2138   -1.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4938    0.5458   -0.1506 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909    1.3326    0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4347    2.8240    0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1376    3.3662    0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9305    4.7387    0.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3217    5.2716    0.1862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9937    5.6056    0.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    5.0942    0.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5069    3.7164    0.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1409    3.1610    0.5217 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8693   -0.2310    0.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6305   -1.1077   -2.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3466    0.6826   -2.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1520    0.9927    1.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4084    1.1466   -0.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2857    2.7113   -0.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9639    4.5497    0.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8173    6.6731    0.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1209    5.7751    0.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5770   -0.9192    1.3936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3713    0.4174    1.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
$$$$

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2024-05-15, 165👍, 0💬