Molecule

ID:7676

General Information
Structure
MolImage
Molecular Formula
C₇H₄FIO₂
Molecular Mass
266.0083332
Exact Mass
265.92400559
Charge
0
InChI
InChI=1S/C7H4FIO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
InChIKey
CYCXAPWOBWWNRK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(F)cccc1I
Isomeric Smiles
OC(=O)c1c(F)cccc1I
Calculated Properties
JChem
Acid pKa
2.5219736
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.1684911
LogD (pH = 7.4)
-0.80795807
Log P
2.702475
Molar Refractivity
46.8931
Polarizability
17.88823
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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