Chem 7 Fluoro 1 Iodoisoquinoline Dsrpl

Compound 180
  CheckMol                        TMF02:r0:m0
MF=C9H5FIN MW=273.05
 12 13  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3039    0.7635   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6078    0.0352   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3157    2.2672   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9117    0.7870   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6196    3.0307   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0352    3.0190   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9235    2.2906   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6313    4.5343   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0470    4.5226   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3509    5.2861   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2334    5.2744   -0.0000 F   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 01  0  1  0  0
  4  6 01  0  2  0  0
  4  7 02  0  1  0  0
  5  8 02  0  1  0  0
  6  9 02  0  1  0  0
  7 10 01  0  1  0  0
  9 11 01  0  1  0  0
 10 12  1  0  0  0  0
  6  8 01  0  1  0  0
 10 11 02  0  1  0  0
M  END

7-Fluoro-1-iodoisoquinoline

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Chemical Name - 7-Fluoro-1-iodoisoquinoline
Mol Weight - 273.044
Smiles - Fc1ccc(ccnc2I)c2c1

Property Name	Property Value
Mol Name	7-Fluoro-1-iodoisoquinoline
Molweight	273.044
Monoisotopic Mass	272.945075
Clogp	2.4884
Clogs	-3.52
H Acceptors	1
Total Surface Area	139.25
Relative Psa	0.078779
Polar Surface Area	12.89
Druglikeness	-1.87
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Complexity	0.71958
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	Fc1ccc(ccnc2I)c2c1
InChIKey	InChI=1S/C9H5FIN/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H
InChI	MTAXQKPJFCSUDO-UHFFFAOYSA-N

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7-Fluoro-1-iodoisoquinoline