Molecule

ID:98072

General Information
Structure
MolImage
Molecular Formula
C₆H₂F₃I
Molecular Mass
257.9797596
Exact Mass
257.91533272
Charge
0
InChI
InChI=1S/C6H2F3I/c7-3-1-4(8)6(9)5(10)2-3/h1-2H
InChIKey
GPBVAOZYTPLSLQ-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1)I)F
Isomeric Smiles
Ic1c(c(cc(c1)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.330296
LogD (pH = 7.4)
3.330296
Log P
3.330296
Molar Refractivity
40.0697
Polarizability
15.243402
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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