Molecule

ID:94774

General Information
Structure
MolImage
Molecular Formula
C₃H₃BrClF₃
Molecular Mass
211.4081296
Exact Mass
209.90587444
Charge
0
InChI
InChI=1S/C3H3BrClF3/c4-2(5)1-3(6,7)8/h2H,1H2
InChIKey
HHORFCCGNBAAOU-UHFFFAOYSA-N
Canonic Smiles
ClC(CC(F)(F)F)Br
Isomeric Smiles
ClC(CC(F)(F)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.1846035
LogD (pH = 7.4)
2.1846035
Log P
2.1846035
Molar Refractivity
29.0849
Polarizability
11.145395
Polar Surface Area
0.0
Rotatable Bonds
2
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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