Molecule

ID:7355

General Information
Structure
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Molecular Formula
C₇H₆FI
Molecular Mass
236.0254132
Exact Mass
235.94982641
Charge
0
InChI
InChI=1S/C7H6FI/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKey
XJWZEEGCMBQBNG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)I)F
Isomeric Smiles
c1c(c(cc(c1)C)I)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5583136
LogD (pH = 7.4)
3.5583136
Log P
3.5583136
Molar Refractivity
44.6781
Polarizability
17.050447
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
No Data Available
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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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