Molecule FYI-1009302

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A

Molecule Summary:

ID: FYI-1009302
Names:
InChIKey: VSFIMXTVYGAQME-UHFFFAOYSA-N
SMILES: Clc1ccccc1CN3C=CC2OC23

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

Molecule ID: FYI-1009302 Edit

Molecule Structure InChIKey: VSFIMXTVYGAQME-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc1ccccc1CN3C=CC2OC23

Download SDF Download SVG Structure in 2D SDF:

FYI-1009302
FYIcenter.com

 14 16  0  0  0  0  0  0  0  0999 V2000
    6.3655    0.9914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    3.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.6749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.5749    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    1.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5574    0.0000    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  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  1  0  0  0  0
 13 14  1  0  0  0  0
  1 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009302-3D
FYIcenter.com

 24 26  0  0  1  0  0  0  0  0999 V2000
    0.5922   -1.1171    2.7129 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6863   -0.3744    1.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724    0.8951    1.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4056    1.5472   -0.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9579    0.9299   -1.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3632   -0.3318   -1.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2142   -1.0048   -0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4856   -2.3448    0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9182   -2.1718    0.0768 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8474   -2.1103   -0.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1139   -2.1610   -0.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1556   -2.3121    0.9750 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.4648   -3.3741    1.6483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6593   -2.2360    1.3566 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6268    1.3836    1.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8569    2.5350   -0.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0628    1.4329   -2.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032   -0.7909   -2.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1303   -2.9756    0.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2192   -2.8987   -0.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5171   -2.0481   -1.9744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9994   -2.1438   -1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8478   -1.6923    1.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3617   -1.5524    2.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
$$$$

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2024-05-15, 204👍, 0💬