Molecule FYI-1008292

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A

Molecule Summary:

ID: FYI-1008292
Names:
InChIKey: KPIVDNYJNOPGBE-UHFFFAOYSA-N
SMILES: Nc1ncccc1C(=O)O

Received at FYIcenter.com on: 2024-04-27

Molecule ID: FYI-1008292 Edit

Molecule Structure InChIKey: KPIVDNYJNOPGBE-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ncccc1C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1008292
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    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
    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
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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  8  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008292-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
   -2.2442    1.3740    0.4781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4533   -0.6806   -0.4715 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8116   -0.9994    0.0916 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2401   -2.1835    0.1872 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2770    0.2119   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4604   -0.9558    0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4169    1.4121   -0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8074    1.4080   -0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4515    0.1868   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.2266   -0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0963    2.3643   -0.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3695    2.3309   -0.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5350    0.1294   -0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7971   -2.2643    1.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828   -2.4202   -0.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2251    1.3753    0.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 16  1  0  0  0  0
  2 10  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1575👍, 0💬