Molecule

ID:93545

General Information
Structure
Molecular Formula
C₄H₄F₃I
Molecular Mass
235.9742396
Exact Mass
235.93098279
Charge
0
InChI
InChI=1S/C4H4F3I/c5-3(1-2-8)4(6)7/h1-2H2
InChIKey
XVDLQOLNANINDZ-UHFFFAOYSA-N
Canonic Smiles
ICCC(=C(F)F)F
Isomeric Smiles
ICCC(=C(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.1975677
LogD (pH = 7.4)
2.1975677
Log P
2.1975677
Molar Refractivity
44.83
Polarizability
12.9263735
Polar Surface Area
0.0
Rotatable Bonds
2
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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