Molecule

ID:127297

General Information
Structure
MolImage
Molecular Formula
C₂₀H₈I₄O₅
Molecular Mass
835.8924
Exact Mass
835.65506536
Charge
0
InChI
InChI=1S/C20H8I4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H
InChIKey
OALHHIHQOFIMEF-UHFFFAOYSA-N
Canonic Smiles
O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O
Isomeric Smiles
Ic1cc2c(Oc3c(cc(I)c(O)c3I)C32OC(=O)c2ccccc32)c(I)c1O
Calculated Properties
JChem
Acid pKa
6.4986806
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
7.5539722
LogD (pH = 7.4)
6.229109
Log P
7.596121
Molar Refractivity
144.6701
Polarizability
55.940742
Polar Surface Area
75.99
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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