Chem 8 Bromoisoquinolin 1 Ol Dsrpl

Compound 201
  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
   -1.3126   -0.7450   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3244   -2.2350   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6252    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9799   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6370   -2.9681   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9378   -0.7095   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2535   -2.2231   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -4.4699   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6488   -4.4581   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9496   -2.2113   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3599   -5.2031   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 01  0  1  0  0
  2  4 02  0  1  0  0
  3  5 02  0  1  0  0
  3  6 01  0  2  0  0
  4  7 01  0  1  0  0
  5  8  1  0  0  0  0
  5  9 01  0  1  0  0
  6 10 02  0  1  0  0
  6 11 01  0  1  0  0
  9 12 02  0  1  0  0
  7 11 02  0  1  0  0
 10 12 01  0  1  0  0
M  END

8-Bromoisoquinolin-1-ol

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Chemical Name - 8-Bromoisoquinolin-1-ol
Mol Weight - 224.057
Smiles - Oc1c2c(Br)cccc2ccn1

Property Name	Property Value
Mol Name	8-Bromoisoquinolin-1-ol
Molweight	224.057
Monoisotopic Mass	222.963275
Clogp	2.584
Clogs	-3.49
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	0.5
Molecular Complexity	0.74997
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	Oc1c2c(Br)cccc2ccn1
InChIKey	InChI=1S/C9H6BrNO/c10-7-3-1-2-6-4-5-11-9(12)8(6)7/h1-5H,(H,11,12)
InChI	NQMZAFRCYDJSEU-UHFFFAOYSA-N

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8-Bromoisoquinolin-1-ol