Compound 10
  CheckMol                        TMF02:r0:m0
MF=C4H6BrNO4 MW=212.00
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090    0.7665   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236    1.5212   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6179    1.5330   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.7193   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0354    3.0307   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2618    0.7901   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9269    0.8019   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6297   -1.4505   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9387   -0.6840   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  1  0  0
  2  5  1  0  1  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  1  0  0
  5  9  1  0  1  0  0
  8 10  1  0  1  0  0
  9 10  1  0  1  0  0
M  CHG  1   3   1
M  CHG  1   7  -1
M  END

2D Structure

Bronidox

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Chemical Name - Bronidox
Mol Weight - 211.999
Smiles - [O-][N+](C1(COCOC1)Br)=O

Property Name	Property Value
Mol Name	Bronidox
Molweight	211.999
Monoisotopic Mass	210.94802
Clogp	-0.1224
Clogs	-2.594
H Acceptors	5
Total Surface Area	113.99
Relative Psa	0.44232
Polar Surface Area	64.28
Druglikeness	-10.878
Mutagenic	high
Tumorigenic	low
Reproductive Effective	low
Irritant	high
Shape Index	0.6
Molecular Flexibility	0.54953
Molecular Complexity	0.6271
Fragments	1
Non H Atoms	10
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Sp3 Atoms	7
Symmetric Atoms	2
Acidic Oxygens	1
Smiles	[O-][N+](C1(COCOC1)Br)=O
InChIKey	InChI=1S/C4H6BrNO4/c5-4(6(7)8)1-9-3-10-2-4/h1-3H2
InChI	XVBRCOKDZVQYAY-UHFFFAOYSA-N

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1 — Bronidox | 2 — Bronidox