Molecule

ID:97541

General Information
Structure
Molecular Formula
C₆H₈Br₂ClF₃
Molecular Mass
332.3839296
Exact Mass
329.8633366
Charge
0
InChI
InChI=1S/C6H8Br2ClF3/c7-4-2-1-3-5(9,10)6(8,11)12/h1-4H2
InChIKey
YUXDDFBZPHVKTN-UHFFFAOYSA-N
Canonic Smiles
BrCCCCC(C(Br)(F)F)(Cl)F
Isomeric Smiles
BrCCCCC(C(F)(F)Br)(F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2609253
LogD (pH = 7.4)
4.2609253
Log P
4.2609253
Molar Refractivity
51.1971
Polarizability
19.484085
Polar Surface Area
0.0
Rotatable Bonds
5
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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