Chem 2 Iodoxybenzoic Acid Infi

Compound 119
  CheckMol                        TMF02:r0:m0
MF=C7H5IO4 MW=280.02
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.2848   -0.7308   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5087   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -0.7308   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6167    0.0354   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3201   -2.2159   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6285    1.5441   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9250   -0.6954   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6285   -2.9467   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3437    2.2984   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9368    2.3102   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9368   -2.1806   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7  1  0  0  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12 02  0  1  0  0
  9 12 01  0  1  0  0
M  END

2-Iodoxybenzoic acid

₹ 0.00 0.00

Chemical Name - 2-Iodoxybenzoic acid
Mol Weight - 280.013
Smiles - OC(c(cccc1)c1I(=O)=O)=O

Property Name	Property Value
Mol Name	2-Iodoxybenzoic acid
Molweight	280.013
Monoisotopic Mass	279.923258
Clogp	0.0956
Clogs	-1.861
H Acceptors	4
H Donors	1
Total Surface Area	149.72
Relative Psa	0.34878
Polar Surface Area	71.44
Druglikeness	-7.3151
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.45026
Molecular Complexity	0.69315
Fragments	1
Non H Atoms	12
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Symmetric Atoms	1
Acidic Oxygens	1
Smiles	OC(c(cccc1)c1I(=O)=O)=O
InChIKey	InChI=1S/C7H5IO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)
InChI	FIYYMXYOBLWYQO-UHFFFAOYSA-N

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1 - 2-Iodoxybenzoic acid
2 - 2-Iodoxybenzoic acid

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2-Iodoxybenzoic acid