Molecule

ID:32491

General Information
Structure
MolImage
Molecular Formula
C₆H₅I₂NO₂
Molecular Mass
376.91834
Exact Mass
376.84097441
Charge
0
InChI
InChI=1S/C6H5I2NO2/c1-11-4-2-3(10)5(7)9-6(4)8/h2,10H,1H3
InChIKey
CAXKKABEHHHUEV-UHFFFAOYSA-N
Canonic Smiles
COc1cc(O)c(nc1I)I
Isomeric Smiles
c1(c(nc(c(c1)OC)I)I)O
Calculated Properties
JChem
Acid pKa
7.1059
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2070138
LogD (pH = 7.4)
1.7638158
Log P
2.217401
Molar Refractivity
58.4864
Polarizability
23.672009
Polar Surface Area
42.35
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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