Molecule

ID:71347

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄INO₂
Molecular Mass
343.16023
Exact Mass
343.00692669
Charge
0
InChI
InChI=1S/C13H14INO2/c1-13(2,3)17-12(16)15-8-10(14)9-6-4-5-7-11(9)15/h4-8H,1-3H3
InChIKey
LOFWPZQNSUAMCV-UHFFFAOYSA-N
Canonic Smiles
Ic1cn(c2c1cccc2)C(=O)OC(C)(C)C
Isomeric Smiles
n1(C(=O)OC(C)(C)C)cc(c2c1cccc2)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.994012
LogD (pH = 7.4)
3.994012
Log P
3.994012
Molar Refractivity
75.2065
Polarizability
30.519753
Polar Surface Area
31.23
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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