Compound 99
  CheckMol                        TMF02:r0:m0
MF=C8H7IO MW=246.05
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    0.7587   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2803    2.2761   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5844    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5725    3.0348   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8765    0.7824   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8647    2.2880   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1568    3.0467   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1450    4.5641   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4490    2.3117   -0.0000 C   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 02  0  1  0  0
  5  7 02  0  1  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  6  7 01  0  1  0  0
M  END

2D Structure

4-Iodoacetophenone

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Chemical Name - 4-Iodoacetophenone
Mol Weight - 246.043
Smiles - CC(c(cc1)ccc1I)=O

Property Name	Property Value
Mol Name	4-Iodoacetophenone
Molweight	246.043
Monoisotopic Mass	245.954163
Clogp	1.9679
Clogs	-3.316
H Acceptors	1
Total Surface Area	129.55
Relative Psa	0.10066
Polar Surface Area	17.07
Druglikeness	-1.0075
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.7
Molecular Flexibility	0.3819
Molecular Complexity	0.6271
Fragments	1
Non H Atoms	10
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Symmetric Atoms	2
Smiles	CC(c(cc1)ccc1I)=O
InChIKey	InChI=1S/C8H7IO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
InChI	JZJWCDQGIPQBAO-UHFFFAOYSA-N

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1 — 4-Iodoacetophenone | 2 — 4-Iodoacetophenone