Molecule

ID:50969

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈INO₂
Molecular Mass
431.26689
Exact Mass
431.03822682
Charge
0
InChI
InChI=1S/C20H18INO2/c1-15-20(24-14-17-10-6-3-7-11-17)19(23)18(21)13-22(15)12-16-8-4-2-5-9-16/h2-11,13H,12,14H2,1H3
InChIKey
YOEWOYYRJBXOEZ-UHFFFAOYSA-N
Canonic Smiles
Ic1cn(Cc2ccccc2)c(c(c1=O)OCc1ccccc1)C
Isomeric Smiles
c1(c(=O)c(cn(c1C)Cc1ccccc1)I)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.159507
LogD (pH = 7.4)
5.159507
Log P
5.159507
Molar Refractivity
108.023
Polarizability
40.193806
Polar Surface Area
29.54
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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