Molecule

ID:100059

General Information
Structure
MolImage
Molecular Formula
C₇H₆FI
Molecular Mass
236.0254132
Exact Mass
235.94982641
Charge
0
InChI
InChI=1S/C7H6FI/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
InChIKey
MSPXWJMFEVAKHQ-UHFFFAOYSA-N
Canonic Smiles
Cc1c(F)cccc1I
Isomeric Smiles
Fc1c(c(ccc1)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
17.043253
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
References
Bioactivity
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