Molecule FYI-1003097

A

Molecule Summary:

ID: FYI-1003097
Names:
InChIKey: AJLRUBMLSTUZNG-UHFFFAOYSA-N
SMILES: Nc2ncc(c1cc(F)c(O)c(F)c1)cc2c3ccc(O)cc3

Received at FYIcenter.com on: 2023-05-10

Molecule ID: FYI-1003097 Edit

Molecule Structure InChIKey: AJLRUBMLSTUZNG-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2ncc(c1cc(F)c(O)c(F)c1)cc2c3ccc(O)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003097
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2433    4.6326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  7  1  0  0  0  0
 14  6  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16  4  1  0  0  0  0
 17  3  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19  1  1  0  0  0  0
 19 20  1  0  0  0  0
  1 21  1  0  0  0  0
 18 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003097-3D
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    2.3050   -0.0207    0.1068 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9137   -0.0797    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3328    1.1346    0.0114 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0175    1.1891   -0.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8645    0.0850   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3377    0.2110   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9540    1.2694   -0.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3436    1.3791   -0.8672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8970    2.4036   -1.5311 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1643    0.4423   -0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5227    0.5547   -0.3204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5811   -0.6114    0.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3413   -1.5406    1.0246 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1913   -0.7275    0.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2147   -1.1577    0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -1.2868    0.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -2.6372    0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2530   -3.7562   -0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276   -5.0302   -0.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9982   -5.2016    0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6044   -6.4182    0.4710 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5823   -4.1321    1.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9829   -2.8690    0.9625 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652    0.9550   -0.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7224   -0.6192   -0.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4053    2.2043   -0.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3682    2.0231   -1.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7274    1.3646   -0.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7951   -1.5642    1.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8192   -2.0617    0.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6490   -3.6521   -1.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3494   -5.8644   -0.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0780   -7.0709   -0.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4981   -4.2724    1.5929 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4529   -2.0611    1.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  2  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  2  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  END
$$$$

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2023-06-12, 690👍, 0💬