Molecule

ID:93435

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₅IS
Molecular Mass
330.057446
Exact Mass
329.89986023
Charge
0
InChI
InChI=1S/C6H4F5IS/c7-13(8,9,10,11)6-3-1-5(12)2-4-6/h1-4H
InChIKey
FRYANWYSCROOCU-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)S(F)(F)(F)(F)F
Isomeric Smiles
S(c1ccc(cc1)I)(F)(F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.9198
LogD (pH = 7.4)
4.9198
Log P
4.9198
Molar Refractivity
52.0991
Polarizability
19.62175
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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