Molecule

ID:71735

General Information
Structure
MolImage
Molecular Formula
C₇H₃I₃O₂
Molecular Mass
499.81093
Exact Mass
499.72672334
Charge
0
InChI
InChI=1S/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
InChIKey
ZMZGFLUUZLELNE-UHFFFAOYSA-N
Canonic Smiles
Ic1cc(I)c(c(c1)C(=O)O)I
Isomeric Smiles
c1c(cc(c(c1C(=O)O)I)I)I
Calculated Properties
JChem
Acid pKa
3.0285428
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9811684
LogD (pH = 7.4)
0.9465578
Log P
4.417662
Molar Refractivity
73.4017
Polarizability
29.142723
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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