Molecule FYI-1005044

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A

Molecule Summary:

ID: FYI-1005044
Names:
InChIKey: GUHJLRCTGIUJBB-UHFFFAOYSA-N
SMILES: CC2OCC(N)c1c(Cl)cncc12

Received at FYIcenter.com on: 2023-10-11

Molecule ID: FYI-1005044 Edit

Molecule Structure InChIKey: GUHJLRCTGIUJBB-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2OCC(N)c1c(Cl)cncc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1005044
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6374    0.9443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.6442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6818    5.1435    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149    5.0528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1788    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005044-3D
FYIcenter.com

 24 25  0  0  1  0  0  0  0  0999 V2000
    0.9830    0.0919    0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5022   -0.0219    0.1697 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8876   -1.4055    0.1839 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6885   -2.0253    1.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6342   -1.4115    2.5115 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0274   -1.7893    2.2285 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5145    0.0970    2.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9400    0.8832    3.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5403    0.2136    5.0642 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8601    2.2663    3.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3941    2.9158    2.3859 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    2.1425    1.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0156    0.7471    1.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6366   -0.5120   -0.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6697    1.1282   -0.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4571   -0.2734    0.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9661    0.3979   -0.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8925   -3.0956    1.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6400   -1.9379    1.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3459   -1.8170    3.4876 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2314   -1.5276    1.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1096   -2.8052    2.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1840    2.9145    4.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6229    2.6958    0.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$

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2023-10-27, 2828👍, 0💬