Compound 189
  CheckMol                        TMF02:r0:m0
MF=C9H5Br2N MW=286.95
 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
    1.2870    0.7556   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2751    2.2669   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5739    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5621    3.0226   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0354    3.0344   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8609    0.7793   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8491    2.2787   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5503    4.5339   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0472    4.5457   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    5.1360    3.0344   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2397    5.3013   -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 01  0  2  0  0
  3  6 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8 01  0  1  0  0
  5  9 02  0  1  0  0
  6 10 01  0  1  0  0
  8 11  1  0  0  0  0
  9 12 01  0  1  0  0
  7  8 02  0  1  0  0
 10 12 02  0  1  0  0
M  END

2D Structure

5,8-Dibromoisoquinoline

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Chemical Name - 5,8-Dibromoisoquinoline
Mol Weight - 286.954
Smiles - Brc(c1ccncc11)ccc1Br

Property Name	Property Value
Mol Name	5,8-Dibromoisoquinoline
Molweight	286.954
Monoisotopic Mass	284.878871
Clogp	3.3035
Clogs	-4.095
H Acceptors	1
Total Surface Area	143.88
Relative Psa	0.076244
Polar Surface Area	12.89
Druglikeness	-3.6347
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Complexity	0.74044
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
Aromatic Nitrogens	1
Smiles	Brc(c1ccncc11)ccc1Br
InChIKey	InChI=1S/C9H5Br2N/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-5H
InChI	KNBALCRXZUTMBP-UHFFFAOYSA-N

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