Molecule FYI-1009027

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A

Molecule Summary:

ID: FYI-1009027
Names:
InChIKey: ZRJJXXDQIQFZBW-UHFFFAOYSA-N
SMILES: Nc1cc(CO)ccn1

Received at FYIcenter.com on: 2024-04-29

Molecule ID: FYI-1009027 Edit

Molecule Structure InChIKey: ZRJJXXDQIQFZBW-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1cc(CO)ccn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1009027
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   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
  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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  2  0  0  0  0
  9  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009027-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
   -2.9258   -0.5931    0.7206 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7940    0.7811    0.1850 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4348   -1.5112    0.0809 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8616    0.0407   -0.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1323   -0.9294   -0.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2781   -0.3536   -0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5293    1.3807   -0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4329   -0.5109    0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8008    1.6958    0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1079   -1.9809   -0.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8187    0.4355   -1.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3334   -1.2629   -1.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2792    2.1631   -0.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1121    2.7262    0.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1703   -2.4398    0.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3828   -1.2012    0.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8429   -0.8465    0.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
$$$$

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2024-05-05, 1106👍, 0💬