Molecule

ID:97545

General Information
Structure
Molecular Formula
C₅H₆Br₂ClF₃
Molecular Mass
318.3573496
Exact Mass
315.84768653
Charge
0
InChI
InChI=1S/C5H6Br2ClF3/c1-3(6)2-4(8,9)5(7,10)11/h3H,2H2,1H3
InChIKey
WUVIXTLECMSVJJ-UHFFFAOYSA-N
Canonic Smiles
CC(CC(C(Br)(F)F)(Cl)F)Br
Isomeric Smiles
ClC(C(F)(F)Br)(F)CC(Br)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.154614
LogD (pH = 7.4)
4.154614
Log P
4.154614
Molar Refractivity
45.8463
Polarizability
17.779398
Polar Surface Area
0.0
Rotatable Bonds
3
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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