Compound 128
  CheckMol                        TMF02:r0:m0
MF=C9H5I2NO MW=396.95
 13 14  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4961   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3299   -2.2323   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2824   -2.2442   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6479   -1.4605   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3417   -3.7284   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5766   -1.4842   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.2705   -3.7403   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0475   -4.4646   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5647   -4.4883   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0594   -5.9607   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5529   -5.9844   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2349   -6.7087   -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  1  0  0  0  0
  3  6 02  0  1  0  0
  4  7  1  0  0  0  0
  4  8 01  0  1  0  0
  6  9 01  0  1  0  0
  8 10 02  0  1  0  0
  9 11 02  0  1  0  0
 10 12 01  0  1  0  0
 11 13 01  0  1  0  0
  8  9 01  0  2  0  0
 12 13 02  0  1  0  0
M  END

2D Structure

Diiodohydroxyquinoline

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Chemical Name - Diiodohydroxyquinoline
Mol Weight - 396.945
Smiles - Oc1nc2ccccc2c(I)c1I

Property Name	Property Value
Mol Name	Diiodohydroxyquinoline
Molweight	396.945
Monoisotopic Mass	396.84606
Clogp	2.8555
Clogs	-4.583
H Acceptors	2
H Donors	1
Total Surface Area	165.53
Relative Psa	0.14541
Polar Surface Area	33.12
Druglikeness	-0.72471
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.53846
Molecular Complexity	0.71956
Fragments	1
Non H Atoms	13
Non Ch Atoms	4
Electronegative Atoms	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	1
Aromatic Nitrogens	1
Basic Nitrogens	1
Smiles	Oc1nc2ccccc2c(I)c1I
InChIKey	InChI=1S/C9H5I2NO/c10-7-5-3-1-2-4-6(5)12-9(13)8(7)11/h1-4H,(H,12,13)
InChI	XCAFJTGMAAIZNN-UHFFFAOYSA-N

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