Compound 74
  CheckMol                        TMF02:r0:m0
MF=C8H6BrN MW=196.05
 10 11  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3062   -0.7414   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6124    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3180   -2.2241   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9186   -0.7061   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6242   -2.9654   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9304   -2.1888   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3542   -0.2354   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3660   -2.6359   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -6.2486   -1.4356   -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 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  2  0  0
  5  8 01  0  1  0  0
  7  9 01  0  1  0  0
  8 10 02  0  1  0  0
  6  7 01  0  1  0  0
  9 10 01  0  1  0  0
M  END

2D Structure

5-Bromoindole

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Chemical Name - 5-Bromoindole
Mol Weight - 196.047
Smiles - Brc(cc1)cc2c1[nH]cc2

Property Name	Property Value
Mol Name	5-Bromoindole
Molweight	196.047
Monoisotopic Mass	194.96836
Clogp	2.4242
Clogs	-2.975
H Acceptors	1
H Donors	1
Total Surface Area	116.06
Relative Psa	0.12054
Polar Surface Area	15.79
Druglikeness	-2.4805
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Complexity	0.75684
Fragments	1
Non H Atoms	10
Non Ch Atoms	2
Electronegative Atoms	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Aromatic Nitrogens	1
Smiles	Brc(cc1)cc2c1[nH]cc2
InChIKey	InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChI	VXWVFZFZYXOBTA-UHFFFAOYSA-N

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