Molecule FYI-1007175

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A

Molecule Summary:

ID: FYI-1007175
Names:
InChIKey: BNCIPOZNSWRYIW-SOFGYWHQSA-N
SMILES: Oc2cc(/C=C/c1ccc(F)cc1F)nc3ccccc23

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

Molecule ID: FYI-1007175 Edit

Molecule Structure InChIKey: BNCIPOZNSWRYIW-SOFGYWHQSA-N

Molecule Structure SMILES String: Oc2cc(/C=C/c1ccc(F)cc1F)nc3ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1007175
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 F   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
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007175-3D
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    0.8314    0.1312    0.0290 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2009    0.0692   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8371   -1.1641   -0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2229   -1.1801   -0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9390   -2.4654   -0.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2787   -2.5795   -0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0086   -3.8575   -0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4761   -5.0180   -0.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2041   -6.2111   -0.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4730   -6.2442   -0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1626   -7.3919   -0.1751 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0350   -5.1067    0.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3036   -3.9232    0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8654   -2.8310    0.9198 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9677   -0.0518   -0.0874 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3436    1.1389   -0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1062    2.2993   -0.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5200    3.5683   -0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1374    3.6902   -0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3498    2.5420   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9420    1.2608   -0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655   -0.7670   -0.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2728   -2.0886   -0.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3113   -3.3497   -0.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9010   -1.6846   -0.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4962   -5.0078   -1.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7905   -7.1121   -1.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0284   -5.1367    0.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1896    2.2119   -0.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1474    4.4549   -0.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6719    4.6720   -0.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2669    2.6403    0.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  2  0  0  0  0
  3  4  2  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  2  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
$$$$

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2024-02-18, 862👍, 0💬