Molecule FYI-1008587

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Molecule Summary:

ID: FYI-1008587
Names:
InChIKey: BLMKSJRHBRLDMH-UHFFFAOYSA-N
SMILES: Nc1ccnc2OCCc12

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

Molecule ID: FYI-1008587 Edit

Molecule Structure InChIKey: BLMKSJRHBRLDMH-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ccnc2OCCc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008587
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    4.6776    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0367    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  1  0  0  0  0
 10  9  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008587-3D
FYIcenter.com

 18 19  0     0  0  0  0  0  0999 V2000
    2.0193   -0.8207    0.0902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1222   -1.8583    0.0163 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7356    2.0612   -0.0025 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2913    1.4944    0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1641    0.5483    0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4356    0.5338   -0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6328   -0.7484    0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1970    0.7637   -0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0330   -0.3515   -0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4553   -1.6224   -0.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2449    2.3234   -0.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3795    1.8782    1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6944    0.5765   -1.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3367    0.7696    0.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1131   -0.2472   -0.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0788   -2.5106   -0.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7378    2.1931   -0.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1251    2.8669    0.0155 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
  2 10  1  0  0  0  0
  3  8  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 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  8  9  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
M  END
$$$$

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2024-06-03, 195👍, 0💬