Molecule

ID:10374

General Information
Structure
MolImage
Molecular Formula
C₃H₂F₃I
Molecular Mass
221.9476596
Exact Mass
221.91533272
Charge
0
InChI
InChI=1S/C3H2F3I/c1-2(7)3(4,5)6/h1H2
InChIKey
LHRSMHZCHIDYBT-UHFFFAOYSA-N
Canonic Smiles
IC(=C)C(F)(F)F
Isomeric Smiles
C(C(=C)I)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.419534
LogD (pH = 7.4)
2.419534
Log P
2.419534
Molar Refractivity
29.8557
Polarizability
11.252014
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
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References
Bioactivity
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