Molecule

ID:108346

General Information
Structure
MolImage
Molecular Formula
C₇H₄I₂O₃
Molecular Mass
389.9138
Exact Mass
389.82498999
Charge
0
InChI
InChI=1S/C7H4I2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
InChIKey
XREKTVACBXQCSB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(I)c(c(c1)I)O
Isomeric Smiles
OC(=O)c1cc(I)c(O)c(I)c1
Calculated Properties
JChem
Acid pKa
4.1253424
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.7915168
LogD (pH = 7.4)
-0.14387172
Log P
3.1851523
Molar Refractivity
62.0201
Polarizability
24.276651
Polar Surface Area
57.53
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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