Molecule FYI-1006378

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A

Molecule Summary:

ID: FYI-1006378
Names:
InChIKey: QZAYGJVTTNCVMB-UHFFFAOYSA-N
SMILES: NCCc1c[nH]c2ccc(O)cc12

Received at FYIcenter.com on: 2023-12-13

Molecule ID: FYI-1006378 Edit

Molecule Structure InChIKey: QZAYGJVTTNCVMB-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCc1c[nH]c2ccc(O)cc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1006378
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    5.8531    5.5047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    4.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    5.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    1.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    0.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5104    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    3.4124    0.0000 C   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  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 13  4  1  0  0  0  0
 13  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006378-3D
FYIcenter.com

 25 26  0     0  0  0  0  0  0999 V2000
    2.7352    2.4620    0.0975 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1121   -2.3478   -0.1123 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2402    1.5678   -0.2880 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1857   -0.6040    0.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1487   -0.1361    0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3744    0.2167    0.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9428   -1.2499   -0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1761   -1.9673    0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0873    0.7369   -0.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7591    1.1320    0.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3223   -1.1586   -0.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379    1.2386    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9057    0.1096   -0.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0828   -0.3736    1.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0842    1.0654    1.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9688   -2.7018    0.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4109   -3.2968   -0.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4225   -0.1074   -1.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3888    1.3212   -1.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1635    2.0149    0.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9207   -2.0371   -0.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9762    0.2086   -0.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6455    1.9395   -1.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9363    2.3734    0.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0601    3.1324    0.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 25  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  8 16  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
$$$$

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2023-12-29, 1366👍, 0💬