Chem 6 Bromo 4 Hydroxy Quinoline Ncc

Compound 105
  CheckMol                        TMF02:r0:m0
MF=C9H6BrNO MW=224.06
 12 13  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069   -0.7300   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6137    0.0353   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3186   -2.2134   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9206   -0.6946   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6255   -2.9434   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2275    0.0706   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9324   -2.1781   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2392    1.5777   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5343   -0.6593   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2392   -2.9081   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5461   -2.1428   -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  1  0  0
  5  8 01  0  2  0  0
  7  9  1  0  0  0  0
  7 10 01  0  1  0  0
  8 11 02  0  1  0  0
 10 12 02  0  1  0  0
  6  8 01  0  1  0  0
 11 12 01  0  1  0  0
M  END

6-bromo-4-hydroxy quinoline

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Chemical Name - 6-bromo-4-hydroxy quinoline
Mol Weight - 224.057
Smiles - Oc1c(cc(cc2)Br)c2ncc1
InChI - XKLBNOHKHRAXKK-UHFFFAOYSA-N
InChIKey - InChI=1S/C9H6BrNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,(H,11,12)

Property Name	Property Value
Mol Name	6-bromo-4-hydroxy quinoline
Molweight	224.057
Monoisotopic Mass	222.963275
Clogp	2.3551
Clogs	-2.86
H Acceptors	2
H Donors	1
Total Surface Area	131.6
Relative Psa	0.1829
Polar Surface Area	33.12
Druglikeness	-3.67
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Complexity	0.74811
Fragments	1
Non H Atoms	12
Non Ch Atoms	3
Electronegative Atoms	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	1
Aromatic Nitrogens	1
Basic Nitrogens	1
Smiles	Oc1c(cc(cc2)Br)c2ncc1
InChIKey	InChI=1S/C9H6BrNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,(H,11,12)
InChI	XKLBNOHKHRAXKK-UHFFFAOYSA-N

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6-bromo-4-hydroxy quinoline