Molecule

ID:97035

General Information
Structure
Molecular Formula
C₇H₆FI
Molecular Mass
236.0254132
Exact Mass
235.94982641
Charge
0
InChI
InChI=1S/C7H6FI/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3
InChIKey
QZLWTFTXGKKCHZ-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(c(c1)F)C
Isomeric Smiles
Fc1c(ccc(c1)I)C
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
17.041607
Polar Surface Area
0.0
Rotatable Bonds
0
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
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References
Bioactivity
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