Molecule

ID:11731

General Information
Structure
MolImage
Molecular Formula
C₇H₅IO₂
Molecular Mass
248.01787
Exact Mass
247.9334274
Charge
0
InChI
InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChIKey
CJNZAXGUTKBIHP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1I
Isomeric Smiles
c1ccc(c(c1)C(=O)O)I
Calculated Properties
JChem
Acid pKa
3.3004298
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.377326
LogD (pH = 7.4)
-0.86623657
Log P
2.5597732
Molar Refractivity
46.6767
Polarizability
17.974607
Polar Surface Area
37.3
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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