Molecule FYI-1008848

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A

Molecule Summary:

ID: FYI-1008848
Names:
InChIKey: KNWQKDWAKRSKIF-UHFFFAOYSA-N
SMILES: OCCc2nc1ccccc1[nH]2

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

Molecule ID: FYI-1008848 Edit

Molecule Structure InChIKey: KNWQKDWAKRSKIF-UHFFFAOYSA-N

Molecule Structure SMILES String: OCCc2nc1ccccc1[nH]2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008848
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    7.9531    3.5959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   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
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    1.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  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
  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
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 12  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008848-3D
FYIcenter.com

 22 23  0     0  0  0  0  0  0999 V2000
    3.3959    1.0069   -1.0233 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3951   -1.2650    0.1535 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5811    0.9054    0.5950 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2230   -0.2387    0.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8649   -0.7489   -0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6581   -0.4651    0.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7225    0.6071    0.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5306   -0.3048   -0.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0797   -1.3338   -0.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8485    1.4442    0.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1898   -0.4859   -0.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0784    0.8786   -0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8194   -1.4634    1.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9906    0.2587    1.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6614   -2.2326    0.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310   -1.0167   -1.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5847   -0.4778   -0.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1636   -2.3932   -0.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7724    2.5056    0.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1575   -0.8977   -0.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9593    1.5123   -0.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6685    1.6328   -0.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 22  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  2  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
$$$$

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2024-04-29, 120👍, 0💬