Molecule FYI-1012233

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A

Molecule Summary:

ID: FYI-1012233
Names:
InChIKey: HREUGOAZLRNTEM-UHFFFAOYSA-N
SMILES: c2ccc(Cc1c[nH]cn1)cc2

Received at FYIcenter.com on: 2024-08-18

Molecule ID: FYI-1012233 Edit

Molecule Structure InChIKey: HREUGOAZLRNTEM-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc(Cc1c[nH]cn1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1012233
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    7.0655    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012233-3D
FYIcenter.com

 22 23  0     0  0  0  0  0  0999 V2000
    2.5361    0.9923    0.2081 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1161   -0.8919   -0.8144 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.4427    1.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9432    0.2200    0.5864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5704    0.0902    0.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5856   -1.0141    0.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    1.2458   -0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9145   -1.0545   -0.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8018   -1.2226    0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7336    1.0374   -0.8148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4629    0.3515   -0.5662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3758   -0.1968   -0.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211    1.4878    1.6141 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918   -0.1516    2.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1495   -1.8221    1.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0262    2.2114   -0.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5819    1.9510    0.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3881   -1.9971   -0.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3018   -2.1835    0.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1805    1.8358   -1.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3608    0.8434   -0.9125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3227   -0.3591   -1.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  7 10  2  0  0  0  0
  7 16  1  0  0  0  0
  8 18  1  0  0  0  0
  9 12  2  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$

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2024-09-12, 1230👍, 0💬