Molecule FYI-1007166

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A

Molecule Summary:

ID: FYI-1007166
Names:
InChIKey: YBPOLKAPAQAKEG-BQYQJAHWSA-N
SMILES: Oc2cc(/C=C/c1ccco1)nc3ccccc23

Received at FYIcenter.com on: 2024-02-06

Molecule ID: FYI-1007166 Edit

Molecule Structure InChIKey: YBPOLKAPAQAKEG-BQYQJAHWSA-N

Molecule Structure SMILES String: Oc2cc(/C=C/c1ccco1)nc3ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1007166
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    0.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    2.2528    0.0000 C   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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 14 18  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007166-3D
FYIcenter.com

 29 31  0     0  0  0  0  0  0999 V2000
   -4.2970   -0.7286   -0.4161 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9512   -2.7090    0.2867 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6274    0.5573   -0.2367 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0105    0.7508   -0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8611   -0.3525    0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552   -0.6947   -0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2631   -1.7088    0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828   -1.8128    0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5683    2.0313   -0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2437   -0.1819    0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3812   -0.7882   -0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9496    2.2047   -0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7842    1.1013    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1422    0.2342    0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6143    0.2838    0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3681    1.2934    0.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6956    0.8779    0.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5987   -0.3581   -0.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552    1.3614   -0.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3441   -2.8031    0.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9329    2.9024   -0.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9088   -1.0290    0.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8219   -1.6993   -0.6806 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3758    3.2023   -0.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8580    1.2427    0.1679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6906    1.1149    0.6008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0496    2.2167    1.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6089    1.4123    0.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3234   -1.0659   -0.6699 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 18  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8 20  1  0  0  0  0
  9 12  1  0  0  0  0
  9 21  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 11 14  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-18, 1523👍, 0💬