Molecule

ID:105506

General Information
Structure
MolImage
Molecular Formula
C₂₀H₈I₄O₃
Molecular Mass
803.8936
Exact Mass
803.66523612
Charge
0
InChI
InChI=1S/C20H8I4O3/c21-9-5-13-17(15(23)7-9)26-18-14(6-10(22)8-16(18)24)20(13)12-4-2-1-3-11(12)19(25)27-20/h1-8H
InChIKey
KNPFJILTTXJDHJ-UHFFFAOYSA-N
Canonic Smiles
Ic1cc(I)c2c(c1)C1(OC(=O)c3c1cccc3)c1c(O2)c(I)cc(c1)I
Isomeric Smiles
Ic1cc(I)c2Oc3c(I)cc(I)cc3C3(OC(=O)c4ccccc34)c2c1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
8.203252
LogD (pH = 7.4)
8.203252
Log P
8.203252
Molar Refractivity
140.7083
Polarizability
54.448498
Polar Surface Area
35.53
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
References
Bioactivity
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