Molecule FYI-1003669

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Molecule Summary:

ID: FYI-1003669
Names:
InChIKey: WVYWXQMEOXPVNO-UHFFFAOYSA-N
SMILES: Cn1c(Cl)cnc1CO

Received at FYIcenter.com on: 2023-07-17

Molecule ID: FYI-1003669 Edit

Molecule Structure InChIKey: WVYWXQMEOXPVNO-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn1c(Cl)cnc1CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1003669
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.5308    0.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    1.5701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5101    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    3.5318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9624    0.0000 O   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  3  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003669-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
    2.9595    0.5364   -0.2732 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7355    0.3310   -0.7896 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3075    0.5567    0.1328 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3407   -1.5675    0.1299 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7354   -0.3194    0.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4395   -0.1797   -0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1226    0.1324    0.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2135    1.9976    0.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0142   -1.4874   -0.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6859   -0.6409    1.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1834    1.0572    1.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2287    2.2781    1.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0451    2.4667   -0.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143    2.3295   -0.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6124   -2.3773   -0.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6521    0.6095   -0.6225 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 1048👍, 0💬