Molecule FYI-1007165

A

Molecule Summary:

ID: FYI-1007165
Names:
InChIKey: UYHSVXDMXHKVLP-CMDGGOBGSA-N
SMILES: Oc2cc(/C=C/C1=C(Cl)C=CCC1Cl)nc3ccccc23

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

Molecule ID: FYI-1007165 Edit

Molecule Structure InChIKey: UYHSVXDMXHKVLP-CMDGGOBGSA-N

Molecule Structure SMILES String: Oc2cc(/C=C/C1=C(Cl)C=CCC1Cl)nc3ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1007165
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
    9.6996    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1001    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
    9.6994    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 Cl  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  1  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
 15 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007165-3D
FYIcenter.com

 34 36  0  0  1  0  0  0  0  0999 V2000
    4.6581    2.4008    0.4267 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0931    1.1566    0.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9007    0.0421    0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -1.1977    0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1044   -2.4171   -0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5850   -3.6533   -0.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3115   -4.9297   -0.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -6.1144   -0.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9372   -6.2633   -0.5510 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3664   -7.3824   -0.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6826   -7.4807   -0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5407   -6.2788    0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8388   -4.9146   -0.1876 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5315   -4.1510   -1.6743 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9479   -1.3586    0.1355 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1723   -0.2767    0.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -0.4478    0.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0624    0.6309    0.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4558    1.9154    0.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8279    2.1163    0.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6972    1.0246    0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6245    2.3202    0.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781    0.1343    0.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1743   -2.2491   -0.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4973   -3.7229   -0.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7809   -8.2852   -0.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1567   -8.4559   -0.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4339   -6.3654   -0.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9039   -6.3349    1.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1397   -4.2717    0.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3889   -1.4513    0.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1294    0.4580    0.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2068    2.7621    0.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2293    3.1236    0.7083 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  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  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 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
$$$$

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2024-02-18, 973👍, 0💬