Molecule FYI-1006795

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A

Molecule Summary:

ID: FYI-1006795
Names:
InChIKey: RCKWRDAVJLCYNV-UHFFFAOYSA-N
SMILES: NC3Cc2cc1OCCOc1cc2C3

Received at FYIcenter.com on: 2024-01-17

Molecule ID: FYI-1006795 Edit

Molecule Structure InChIKey: RCKWRDAVJLCYNV-UHFFFAOYSA-N

Molecule Structure SMILES String: NC3Cc2cc1OCCOc1cc2C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006795
FYIcenter.com

 14 16  0  0  0  0  0  0  0  0999 V2000
    3.6374    0.0000    0.0000 C   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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1813    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1813    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042    1.4000    0.0000 N   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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  3  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 13  1  0  0  0  0
  6 11  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006795-3D
FYIcenter.com

 27 29  0     0  0  0  0  0  0999 V2000
    2.4682    1.4431   -0.0251 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4707   -1.4408    0.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6391   -0.0014   -0.1269 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2731    0.0158    0.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4715    1.2263   -0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4701   -1.2388   -0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0730    0.6968   -0.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0721   -0.7024    0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1116    1.4136   -0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1134   -1.4171    0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3130    0.7029   -0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3141   -0.7031    0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5990    0.6683    0.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6090   -0.6630   -0.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3054    0.0683    1.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6243    2.1077    0.4835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7123    1.4672   -1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7117   -1.5785   -1.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6223   -2.0556    0.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1043    2.4973   -0.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1075   -2.5017    0.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1318    0.8323    0.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1377   -0.8000    0.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5616    0.5369    1.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4992    1.2407    0.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5971   -0.5315   -1.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5046   -1.2334   -0.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
$$$$

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2024-01-24, 296👍, 0💬