Molecule FYI-1008671

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Molecule Summary:

ID: FYI-1008671
Names:
InChIKey: ZFNBGJOBGMMHAA-UHFFFAOYSA-N
SMILES: Nc1nccc2OCCc12

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

Molecule ID: FYI-1008671 Edit

Molecule Structure InChIKey: ZFNBGJOBGMMHAA-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1nccc2OCCc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008671
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 N   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 C   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-1008671-3D
FYIcenter.com

 18 19  0     0  0  0  0  0  0999 V2000
   -2.0127    0.8767   -0.0824 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0628    0.2583    0.0403 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6272   -2.0867    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3307   -1.4549   -0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1908   -0.5248   -0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4630   -0.4724    0.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6461    0.7796   -0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1628   -0.7523    0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2210    1.8488   -0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5694    1.5275    0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4185   -1.8492   -1.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3051   -2.2760    0.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3548   -0.6848   -0.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7480   -0.5187    1.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1218    2.8750   -0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3232    2.3084    0.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404   -2.8077    0.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6303   -2.2235    0.0226 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  8  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  2  0  0  0  0
  5  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  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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2024-04-29, 1276👍, 0💬