Molecule FYI-1014320

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A

Molecule Summary:

ID: FYI-1014320
Names:
InChIKey: XHTWJTDNZKWQON-UHFFFAOYSA-O
SMILES: C2=CC(c1ccco1)=N[NH2+]2

Received at FYIcenter.com on: 2025-03-31

Molecule ID: FYI-1014320 Edit

Molecule Structure InChIKey: XHTWJTDNZKWQON-UHFFFAOYSA-O

Molecule Structure SMILES String: C2=CC(c1ccco1)=N[NH2+]2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014320
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6010    5.2152    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3220    5.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3852    4.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0852    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4547    3.8229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5158    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    1.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.0403    0.0000 O   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
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014320-3D
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.9325    0.3630   -0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6068   -0.9679    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7688   -0.9416    0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6399   -2.1642    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0229   -2.1615   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4431   -3.5115   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2937   -4.2629    0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -3.4639    0.0619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2296    0.3344   -0.0302 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1536    1.1424   -0.0745 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.9450    0.7590   -0.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2578   -1.8210    0.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6235   -1.2623   -0.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4558   -3.8836   -0.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0930   -5.3234    0.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1615    1.8203    0.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1575    1.7142   -0.9135 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
$$$$

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2025-04-11, 915👍, 0💬