Molecule

ID:9987

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₃I
Molecular Mass
272.0063396
Exact Mass
271.93098279
Charge
0
InChI
InChI=1S/C7H4F3I/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H
InChIKey
IGISPMBUGPHLBY-UHFFFAOYSA-N
Canonic Smiles
Ic1cccc(c1)C(F)(F)F
Isomeric Smiles
c1cc(cc(c1)C(F)(F)F)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7800388
LogD (pH = 7.4)
3.7800388
Log P
3.7800388
Molar Refractivity
45.3942
Polarizability
17.047384
Polar Surface Area
0.0
Rotatable Bonds
1
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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