Molecule FYI-1000385

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Molecule Summary:

ID: FYI-1000385
SMILES: O=C(O)c1cnc(Cl)c(Cl)c1

Received at FYIcenter.com on: 2021-04-30

Molecule ID: FYI-1000385 Edit

Molecule Structure SMILES String: O=C(O)c1cnc(Cl)c(Cl)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000385
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6611    0.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6611    2.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4487    2.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2363    2.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2363    0.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4487    0.1760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8144    3.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9595    2.2644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7678    4.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1442    0.0000    0.0000 Cl  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
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000385-3D
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.0984    0.3753   -0.2162 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2704    0.0878   -0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9668    0.4146    1.0568 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599   -0.6244   -1.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7420   -0.4278   -2.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3909   -1.0380   -3.4301 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3788   -1.9039   -3.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1286   -2.6273   -4.4643 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7505   -2.1848   -1.7846 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9931   -3.3037   -1.3703 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0752   -1.5301   -0.7523 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9343    0.3014    1.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9384    0.2428   -2.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3201   -1.7587    0.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
$$$$

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2021-10-10, 1643👍, 0💬