Molecule

ID:96858

General Information
Structure
Molecular Formula
C₈H₄BrF₅
Molecular Mass
275.013376
Exact Mass
273.94165323
Charge
0
InChI
InChI=1S/C8H4BrF5/c9-3-4-1-2-5(8(12,13)14)7(11)6(4)10/h1-2H,3H2
InChIKey
CSCQGNZVBJMHGR-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc(c(c1F)F)C(F)(F)F
Isomeric Smiles
Fc1c(ccc(c1F)C(F)(F)F)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9092355
LogD (pH = 7.4)
3.9092355
Log P
3.9092355
Molar Refractivity
45.3149
Polarizability
16.295387
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
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Molecule Details
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References
Bioactivity
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