Molecule FYI-1008921

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A

Molecule Summary:

ID: FYI-1008921
Names:
InChIKey: QACOLYQTPFGDLC-UHFFFAOYSA-N
SMILES: Nc1ccccc1c2ncco2

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008921 Edit

Molecule Structure InChIKey: QACOLYQTPFGDLC-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ccccc1c2ncco2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008921
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.6406    0.2835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  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
 12  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008921-3D
FYIcenter.com

 20 21  0     0  0  0  0  0  0999 V2000
    1.7498   -1.1542   -0.4210 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8673    0.9205    0.4718 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5562    2.2720   -0.2422 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3371   -0.1489    0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1316    0.9882   -0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1060   -0.0604    0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9326   -1.4031    0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5216    0.8708   -0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3226   -1.5203    0.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1170   -0.3833    0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0645   -0.8204   -0.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1312    0.4391    0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3422   -2.3075    0.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1532    1.7483   -0.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7867   -2.4964    0.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1992   -0.4747    0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4466    2.3952   -0.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1556    3.0800   -0.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7834   -1.5559   -0.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0109    1.0185    0.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2  6  2  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
$$$$

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