Molecule FYI-1005675

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A

Molecule Summary:

ID: FYI-1005675
Names:
InChIKey: QEHKQNYBBLCFIJ-UHFFFAOYSA-N
SMILES: Nc1n[nH]cc1c2ccccc2

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

Molecule ID: FYI-1005675 Edit

Molecule Structure InChIKey: QEHKQNYBBLCFIJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1n[nH]cc1c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1005675
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.2710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7432    5.1291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005675-3D
FYIcenter.com

 21 22  0     0  0  0  0  0  0999 V2000
    2.9727   -0.2609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9914    1.0829   -0.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5484   -2.1320    0.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8597    0.2750    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5729    0.1715    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7174   -0.7946    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6950    1.4043   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2683    0.1203   -1.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2687    0.1221    1.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6596    0.0198   -1.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6599    0.0214    1.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3553   -0.0298   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4200    2.4497   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7414    0.1577   -2.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7420    0.1608    2.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8570   -0.7536   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2012   -0.0201   -2.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2019   -0.0173    2.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4386   -0.1082   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3303   -2.7798    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6267   -2.5577    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
  2  7  2  0  0  0  0
  3  6  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  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
  5  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 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
$$$$

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2023-11-23, 2098👍, 0💬