Molecule

ID:94182

General Information
Structure
MolImage
Molecular Formula
C₄H₄BrCl₂F₃
Molecular Mass
259.8797696
Exact Mass
257.88255215
Charge
0
InChI
InChI=1S/C4H4BrCl2F3/c5-2-1-3(6,7)4(8,9)10/h1-2H2
InChIKey
MNDKESZJFNKNKL-UHFFFAOYSA-N
Canonic Smiles
BrCCC(C(F)(F)F)(Cl)Cl
Isomeric Smiles
BrCCC(Cl)(C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8144064
LogD (pH = 7.4)
3.8144064
Log P
3.8144064
Molar Refractivity
38.7027
Polarizability
14.8196745
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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