Compound 81
  CheckMol                        TMF02:r0:m0
MF=C7H5FN2 MW=136.13
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3116   -0.7444   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3234   -2.2332   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6231    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0354   -2.9776   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6349   -2.9658   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9347   -0.7090   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2525   -3.7220   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6468   -4.4546   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9465   -2.2096   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5  1  0  0  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  5  8  3  0  0  0  0
  6  9  1  0  0  0  0
  6 10 02  0  1  0  0
  7 10 01  0  1  0  0
M  END

2D Structure

6-Fluoroanthranilonitrile

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Chemical Name - 6-Fluoroanthranilonitrile
Mol Weight - 136.129
Smiles - Nc1cccc(F)c1C#N

Property Name	Property Value
Mol Name	6-Fluoroanthranilonitrile
Molweight	136.129
Monoisotopic Mass	136.043676
Clogp	0.9187
Clogs	-2.779
H Acceptors	2
H Donors	1
Total Surface Area	109.84
Relative Psa	0.26247
Polar Surface Area	49.81
Druglikeness	-7.425
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Complexity	0.70527
Fragments	1
Non H Atoms	10
Non Ch Atoms	3
Electronegative Atoms	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Amines	1
Aromatic Amines	1
Smiles	Nc1cccc(F)c1C#N
InChIKey	InChI=1S/C7H5FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2
InChI	IQUNZGOZUJITBJ-UHFFFAOYSA-N

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1 — 6-Fluoroanthranilonitrile | 2 — 6-Fluoroanthranilonitrile