Molecule FYI-1005045

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A

Molecule Summary:

ID: FYI-1005045
Names:
InChIKey: WCADJIKUVHHHDQ-UHFFFAOYSA-N
SMILES: NC2COC(O)c1cnpc(Cl)c12

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

Molecule ID: FYI-1005045 Edit

Molecule Structure InChIKey: WCADJIKUVHHHDQ-UHFFFAOYSA-N

Molecule Structure SMILES String: NC2COC(O)c1cnpc(Cl)c12

Download SDF Download SVG Structure in 2D SDF:

FYI-1005045
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6374    0.9443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.0442    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.6442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6818    5.1435    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149    5.0528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1788    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005045-3D
FYIcenter.com

 21 22  0  0  1  0  0  0  0  0999 V2000
    1.0218   -0.0714   -0.0172 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4878   -0.0734   -0.0697 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0366   -1.5189   -0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8308   -2.1259    1.2296 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5664   -1.4820    2.2611 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9140   -1.9300    2.2222 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5170    0.0241    2.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.7536    3.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0560    2.0899    3.4432 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5708    3.1169    2.3493 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.0213    2.1354    1.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083    3.0166   -0.2828 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0394    0.7300    1.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6479   -0.6428   -0.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6758    0.8745   -0.1774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8138    0.3643   -1.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1053   -1.5384   -0.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5276   -2.1349   -0.7935 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1363   -1.8258    3.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4095   -1.3252    1.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3674    0.2177    4.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
$$$$

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2023-10-27, 2312👍, 0💬