Molecule

ID:15981

General Information
Structure
MolImage
Molecular Formula
C₆H₂I₄
Molecular Mass
581.69796
Exact Mass
581.63354206
Charge
0
InChI
InChI=1S/C6H2I4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H
InChIKey
QHODZFPKHGDLOS-UHFFFAOYSA-N
Canonic Smiles
Ic1cc(I)c(cc1I)I
Isomeric Smiles
c1(c(cc(c(c1)I)I)I)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.6890235
LogD (pH = 7.4)
5.6890235
Log P
5.6890235
Molar Refractivity
79.508
Polarizability
32.198925
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
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
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References
Bioactivity
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