Chem 4 Iodo Phenylacetic Acid Infi

Compound 113
  CheckMol                        TMF02:r0:m0
MF=C8H7IO2 MW=262.05
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3058   -0.7411   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6117    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3176   -2.2234   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9175   -0.7294   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6234   -2.9646   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9292   -2.2117   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2351   -2.9528   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5409   -2.1999   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5527   -0.6941   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8467   -2.9411   -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 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  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  6  7 01  0  1  0  0
M  END

4-Iodo phenylacetic acid

₹ 0.00 0.00

Chemical Name - 4-Iodo phenylacetic acid
Mol Weight - 262.042
Smiles - OC(Cc(cc1)ccc1I)=O

Property Name	Property Value
Mol Name	4-Iodo phenylacetic acid
Molweight	262.042
Monoisotopic Mass	261.949078
Clogp	1.5799
Clogs	-2.61
H Acceptors	2
H Donors	1
Total Surface Area	137.4
Relative Psa	0.19025
Polar Surface Area	37.3
Druglikeness	-0.89893
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.72727
Molecular Flexibility	0.52381
Molecular Complexity	0.63561
Fragments	1
Non H Atoms	11
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Symmetric Atoms	2
Acidic Oxygens	1
Smiles	OC(Cc(cc1)ccc1I)=O
InChIKey	InChI=1S/C8H7IO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChI	FJSHTWVDFAUNCO-UHFFFAOYSA-N

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4-Iodo phenylacetic acid