Molecule
ID:94979
General Information
Molecular Formula
C₆H₃F₂I
Molecular Mass
239.9892964
Exact Mass
239.92475454
Charge
0
InChI
InChI=1S/C6H3F2I/c7-4-2-1-3-5(9)6(4)8/h1-3H
InChIKey
QXVGWYWOARYLCY-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)cccc1I
Isomeric Smiles
Fc1c(cccc1F)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1875942
LogD (pH = 7.4)
3.1875942
Log P
3.1875942
Molar Refractivity
39.8533
Polarizability
15.265967
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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