Molecule

ID:44828

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄INO₂
Molecular Mass
319.13883
Exact Mass
319.00692669
Charge
0
InChI
InChI=1S/C11H14INO2/c1-11(2,10(14)15-3)7-4-5-9(13)8(12)6-7/h4-6H,13H2,1-3H3
InChIKey
UETQLYCUPBNAJN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1ccc(c(c1)I)N)(C)C
Isomeric Smiles
C(c1cc(c(cc1)N)I)(C(=O)OC)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9537117
LogD (pH = 7.4)
2.9558794
Log P
2.9559073
Molar Refractivity
69.2731
Polarizability
26.604284
Polar Surface Area
52.32
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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