Chem 35 Di Iodo Salicylic Acid

Compound 13
  CheckMol                        TMF02:r0:m0
MF=C7H4I2O3 MW=389.92
 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
   -1.3072   -0.7301   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6144    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3190   -2.2140   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6262    1.5310   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9216   -0.7066   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6262   -2.9559   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2288    0.0471   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9334   -2.1904   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6380   -4.4398   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2406    1.5545   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5360   -0.6948   -0.0000 O   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  1  0  0  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  6  8  1  0  0  0  0
  6  9 02  0  1  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  7  9 01  0  1  0  0
M  END

3,5-Di-Iodo Salicylic Acid

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Chemical Name - 3,5-Di-Iodo Salicylic Acid
Mol Weight - 389.906
Smiles - OC(c1cc(I)cc(I)c1O)=O

Property Name	Property Value
Mol Name	3,5-Di-Iodo Salicylic Acid
Molweight	389.906
Monoisotopic Mass	389.824991
Clogp	1.6732
Clogs	-3.365
H Acceptors	3
H Donors	2
Total Surface Area	156.27
Relative Psa	0.2511
Polar Surface Area	57.53
Druglikeness	-0.91701
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.33783
Molecular Complexity	0.73241
Fragments	1
Non H Atoms	12
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Acidic Oxygens	1
Smiles	OC(c1cc(I)cc(I)c1O)=O
InChIKey
InChI	C7H4O3I2

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3,5-Di-Iodo Salicylic Acid