Molecule FYI-1006203

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A

Molecule Summary:

ID: FYI-1006203
Names:
InChIKey: ZLOJFAGTWDOURE-UHFFFAOYSA-N
SMILES: Cc1cc3c(cc1O)[nH]c2ccccc23

Received at FYIcenter.com on: 2023-12-02

Molecule ID: FYI-1006203 Edit

Molecule Structure InChIKey: ZLOJFAGTWDOURE-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc3c(cc1O)[nH]c2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006203
FYIcenter.com

 15 17  0  0  0  0  0  0  0  0999 V2000
    4.6777    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    3.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    8.1273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  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
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 15  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006203-3D
FYIcenter.com

 26 28  0     0  0  0  0  0  0999 V2000
    4.1121    0.9428    0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7092    1.7017    0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1516   -0.3553    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2760   -0.4550    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4743    1.0019    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7841    0.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2012   -1.2982    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5266   -0.8492   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7947    1.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8168    0.5130   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1844   -1.5343    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1562    1.1207   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5595   -1.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0359    0.0348   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6279   -1.8593   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7795    2.7099    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724   -2.3606    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0154    2.5288    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8284   -2.5606    0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5280    2.1398   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2618   -2.1032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1077    0.2158   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2492   -1.7530   -0.8963 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2495   -1.7537    0.8947 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2377   -2.8832   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7308    0.1963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 26  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  2  0  0  0  0
  5  9  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-10, 1996👍, 0💬