Molecule FYI-1000961

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A

Molecule Summary:

ID: FYI-1000961
SMILES: CN1CCC(=CC1)C2=CC=CC=C2

Received at FYIcenter.com on: 2021-08-17

Molecule ID: FYI-1000961 Edit

Molecule Structure SMILES String: CN1CCC(=CC1)C2=CC=CC=C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1000961
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    2.4249    2.1000    0.0000 C   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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000961-3D
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
    0.7275    0.0556    0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1802    0.0427    0.0581 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7990    1.2906   -0.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5698    1.3195   -1.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0137   -0.0161   -2.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6440   -1.1549   -1.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7620   -1.2090   -0.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8952   -0.0479   -3.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3509   -0.1171   -4.6778 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1879   -0.1527   -5.7949 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5719   -0.1191   -5.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1210   -0.0544   -4.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2855   -0.0203   -3.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3431    0.9354    0.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3347   -0.8123    0.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3185    0.0500   -0.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4948    1.5929    0.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0590    2.1030   -0.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4490    1.9701   -1.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9435    1.7923   -2.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9951   -2.1118   -1.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3623   -1.6211    0.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9821   -1.9543   -0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2727   -0.1473   -4.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7594   -0.2059   -6.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2233   -0.1461   -6.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2003   -0.0333   -4.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7233    0.0247   -2.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
$$$$

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2021-10-02, 3439👍, 0💬