Molecule

ID:94984

General Information
Structure
MolImage
Molecular Formula
C₇H₄FIO₂
Molecular Mass
266.0083332
Exact Mass
265.92400559
Charge
0
InChI
InChI=1S/C7H4FIO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChIKey
DUKFTVLJAXWGPI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)I)C(=O)O
Isomeric Smiles
Ic1c(ccc(c1)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.448356
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6612098
LogD (pH = 7.4)
-0.6877008
Log P
2.702475
Molar Refractivity
46.8931
Polarizability
17.886415
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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