Molecule

ID:33254

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄INO₂
Molecular Mass
319.13883
Exact Mass
319.00692669
Charge
0
InChI
InChI=1S/C11H14INO2/c1-3-15-11(14)7-13-10-5-4-9(12)6-8(10)2/h4-6,13H,3,7H2,1-2H3
InChIKey
JDHKJWNKLTWKDG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNc1ccc(cc1C)I
Isomeric Smiles
N(c1c(cc(cc1)I)C)CC(=O)OCC
Calculated Properties
JChem
Acid pKa
16.126226
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8689854
LogD (pH = 7.4)
2.869074
Log P
2.869075
Molar Refractivity
70.2578
Polarizability
26.530704
Polar Surface Area
38.33
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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