Molecule FYI-1009304

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A

Molecule Summary:

ID: FYI-1009304
Names:
InChIKey: ISLUYCVNPLNXDP-UHFFFAOYSA-N
SMILES: Oc2cc(Cl)c(CN1C=CCC1)cc2O

Received at FYIcenter.com on: 2024-05-08

Molecule ID: FYI-1009304 Edit

Molecule Structure InChIKey: ISLUYCVNPLNXDP-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc2cc(Cl)c(CN1C=CCC1)cc2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1009304
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    7.5839    0.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2844    1.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3469    2.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671    2.1014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8539    2.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6407    2.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4274    2.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    2.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4274    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6407    0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8539    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2135    0.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3332    3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 13  1  2  0  0  0  0
  2  3  1  0  0  0  0
  9 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009304-3D
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.1748    0.4896    0.6265 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020    0.3153    0.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4413    0.3198    1.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8019    0.1852    1.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9078    0.2549    2.4019 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2338    0.0331   -0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6911   -0.0622   -0.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1656   -1.4320   -0.6320 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3638   -2.2435   -1.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1973   -3.2502   -1.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7016   -3.1199   -0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8446   -1.9728    0.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2618   -0.0073   -1.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9100    0.1509   -0.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9751    0.1671   -1.9664 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0600    0.6381    1.5777 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1302    0.4418    2.4092 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3059    0.5705    0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8264    0.3720   -1.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8861   -2.0289   -2.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5069   -4.0184   -2.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7621   -2.8437   -0.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5828   -4.0402    0.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4653   -1.2324    1.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1051   -2.3730    1.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5773   -0.1535   -2.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    0.1754   -2.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  2  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$

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2024-05-15, 175👍, 0💬