Molecule FYI-1006349

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A

Molecule Summary:

ID: FYI-1006349
Names:
InChIKey: ZOWVTBCOGRWGKZ-MHWRWJLKSA-N
SMILES: Cc2ccc(/N=C/c1ccccc1)cc2Cl

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006349 Edit

Molecule Structure InChIKey: ZOWVTBCOGRWGKZ-MHWRWJLKSA-N

Molecule Structure SMILES String: Cc2ccc(/N=C/c1ccccc1)cc2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1006349
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    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
    3.6373    2.8000    0.0000 C   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
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 Cl  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
  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
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  2  0  0  0  0
 15  2  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006349-3D
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
    0.5827    2.2111   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    0.9866   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6801    1.1298    0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5120    0.0066    0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9785   -1.2867    0.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7527   -2.4543    0.2369 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9283   -2.5180   -0.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7911   -3.7092   -0.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3241   -4.8690    0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1622   -5.9774    0.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4658   -5.9279    0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9319   -4.7697   -0.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0949   -3.6611   -0.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5905   -1.4291    0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2480   -0.3091    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9562   -0.5781   -0.0320 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0166    3.1280   -0.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2161    2.2185   -0.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    2.2473    0.8734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1322    2.1195    0.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5847    0.1620    0.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3552   -1.6861   -0.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3106   -4.9116    0.8657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8014   -6.8796    1.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1184   -6.7918    0.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9483   -4.7346   -0.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4721   -2.7656   -1.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1638   -2.4291    0.0753 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
  1 18  1  0  0  0  0
  1 19  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 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-29, 235👍, 0💬