Molecule

ID:69454

General Information
Structure
MolImage
Molecular Formula
C₇H₅IO₄
Molecular Mass
280.01667
Exact Mass
279.92325664
Charge
0
InChI
InChI=1S/C7H5IO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)
InChIKey
FIYYMXYOBLWYQO-UHFFFAOYSA-N
Canonic Smiles
O=[I](=O)c1ccccc1C(=O)O
Isomeric Smiles
C(=O)(c1c(cccc1)[I](=O)=O)O
Calculated Properties
JChem
Acid pKa
2.8142288
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.34595683
LogD (pH = 7.4)
-1.2103721
Log P
2.2825415
Molar Refractivity
49.5625
Polarizability
20.652771
Polar Surface Area
71.44
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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