Molecule

ID:87518

General Information
Structure
MolImage
Molecular Formula
C₇H₅IO₄
Molecular Mass
280.01667
Exact Mass
279.92325664
Charge
0
InChI
InChI=1S/C7H5IO4/c9-7-5-3-1-2-4-6(5)8(10,11)12-7/h1-4H,(H,10,11)
InChIKey
CQMJEZQEVXQEJB-UHFFFAOYSA-N
Canonic Smiles
O=C1O[I](=O)(c2c1cccc2)O
Isomeric Smiles
[I]1(=O)(c2ccccc2C(=O)O1)O
Calculated Properties
JChem
Acid pKa
3.0058634
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.20854378
LogD (pH = 7.4)
-0.03207346
Log P
2.3401935
Molar Refractivity
49.7566
Polarizability
20.539135
Polar Surface Area
63.6
Rotatable Bonds
0
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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