Compound 237
  CheckMol                        TMF02:r0:m0
MF=C6H5BrO3 MW=205.01
 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
   -1.3064   -0.7297   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6128    0.0353   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3182   -2.2127   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6246    1.5418   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9193   -0.6944   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6246   -2.9424   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2257    0.0706   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9310   -2.1774   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2375   -2.9071   -0.0000 O   0  0  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
  6  8  1  0  0  0  0
  6  9 02  0  1  0  0
  9 10  1  0  0  0  0
  7  9 01  0  1  0  0
M  END

2D Structure

Bromopyrogallol

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Chemical Name - Bromopyrogallol
Mol Weight - 205.007
Smiles - Oc(ccc(Br)c1O)c1O

Property Name	Property Value
Mol Name	Bromopyrogallol
Molweight	205.007
Monoisotopic Mass	203.942206
Clogp	1.3477
Clogs	-1.562
H Acceptors	3
H Donors	3
Total Surface Area	110.94
Relative Psa	0.35425
Polar Surface Area	60.69
Druglikeness	-4.0621
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Complexity	0.72218
Fragments	1
Non H Atoms	10
Non Ch Atoms	4
Electronegative Atoms	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Smiles	Oc(ccc(Br)c1O)c1O
InChIKey	InChI=1S/C6H5BrO3/c7-3-1-2-4(8)6(10)5(3)9/h1-2,8-10H
InChI	TYRFQQZIVRBJAK-UHFFFAOYSA-N

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1 — Bromopyrogallol | 2 — Bromopyrogallol