Molecule

ID:71326

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄INO
Molecular Mass
303.13943
Exact Mass
303.01201207
Charge
0
InChI
InChI=1S/C11H14INO/c1-11(2,3)10(14)13-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H,13,14)
InChIKey
QEXYDNSSQLOPGD-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)Nc1ccccc1I
Isomeric Smiles
C(=O)(Nc1c(I)cccc1)C(C)(C)C
Calculated Properties
JChem
Acid pKa
12.799997
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.9394372
LogD (pH = 7.4)
3.9394355
Log P
3.9394372
Molar Refractivity
67.9859
Polarizability
25.829176
Polar Surface Area
29.1
Rotatable Bonds
2
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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